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 1ww3_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 FXXXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVIP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMKF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPAP 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 55.775 55.803 -0.046 0.000 1.022 12 Q CB 0.000 28.705 28.738 -0.055 0.000 1.108 13 I N -0.932 119.629 120.570 -0.016 0.000 2.676 13 I HA 0.649 4.814 4.170 -0.008 0.000 0.309 13 I C 1.008 177.127 176.117 0.002 0.000 0.990 13 I CA -0.545 60.752 61.300 -0.004 0.000 1.168 13 I CB 1.862 39.865 38.000 0.005 0.000 1.343 13 I HN 0.559 nan 8.210 nan 0.000 0.482 14 S N 2.746 118.453 115.700 0.011 0.000 2.378 14 S HA -0.197 4.268 4.470 -0.008 0.000 0.221 14 S C 1.811 176.422 174.600 0.019 0.000 1.037 14 S CA 2.454 60.663 58.200 0.015 0.000 1.069 14 S CB -0.747 62.468 63.200 0.025 0.000 1.006 14 S HN 0.821 nan 8.310 nan 0.000 0.423 15 V N 0.350 120.284 119.914 0.033 0.000 2.944 15 V HA -0.003 4.112 4.120 -0.008 0.000 0.265 15 V C 1.939 178.049 176.094 0.027 0.000 1.125 15 V CA 1.763 64.086 62.300 0.038 0.000 1.145 15 V CB -1.151 30.703 31.823 0.051 0.000 0.725 15 V HN 0.409 nan 8.190 nan 0.000 0.510 16 R N 1.153 121.661 120.500 0.013 0.000 2.320 16 R HA 0.422 4.757 4.340 -0.008 0.000 0.211 16 R C 1.163 177.457 176.300 -0.010 0.000 0.931 16 R CA 0.557 56.659 56.100 0.003 0.000 1.071 16 R CB -0.034 30.264 30.300 -0.004 0.000 1.025 16 R HN 0.794 nan 8.270 nan 0.000 0.495 17 G N 0.875 109.669 108.800 -0.010 0.000 2.728 17 G HA2 -0.240 3.715 3.960 -0.008 0.000 0.294 17 G HA3 -0.240 3.715 3.960 -0.008 0.000 0.294 17 G C -0.633 174.253 174.900 -0.023 0.000 1.342 17 G CA -0.990 44.096 45.100 -0.025 0.000 0.866 17 G HN 0.088 nan 8.290 nan 0.000 0.534 18 L N -0.011 121.195 121.223 -0.029 0.000 2.357 18 L HA 0.679 5.014 4.340 -0.008 0.000 0.273 18 L C 1.033 177.888 176.870 -0.024 0.000 1.080 18 L CA -0.277 54.549 54.840 -0.023 0.000 0.803 18 L CB 1.832 43.878 42.059 -0.022 0.000 1.174 18 L HN 1.225 nan 8.230 nan 0.000 0.443 19 A N 1.891 124.700 122.820 -0.018 0.000 3.150 19 A HA 0.538 4.853 4.320 -0.008 0.000 0.328 19 A C 0.434 178.014 177.584 -0.008 0.000 1.104 19 A CA -0.420 51.608 52.037 -0.014 0.000 0.937 19 A CB -0.254 18.738 19.000 -0.013 0.000 1.073 19 A HN 0.778 nan 8.150 nan 0.000 0.497 20 G N -0.346 108.449 108.800 -0.008 0.000 2.365 20 G HA2 0.326 4.281 3.960 -0.008 0.000 0.249 20 G HA3 0.326 4.281 3.960 -0.008 0.000 0.249 20 G C 0.963 175.865 174.900 0.004 0.000 1.288 20 G CA 0.272 45.371 45.100 -0.002 0.000 0.887 20 G HN 1.033 nan 8.290 nan 0.000 0.524 21 V N 1.683 121.601 119.914 0.006 0.000 3.244 21 V HA -0.126 3.989 4.120 -0.008 0.000 0.273 21 V C 1.911 178.013 176.094 0.014 0.000 1.180 21 V CA 2.590 64.896 62.300 0.010 0.000 1.182 21 V CB -0.407 31.422 31.823 0.009 0.000 0.796 21 V HN 0.895 nan 8.190 nan 0.000 0.543 22 E N -0.436 119.773 120.200 0.015 0.000 2.244 22 E HA 0.031 4.376 4.350 -0.008 0.000 0.196 22 E C 1.927 178.545 176.600 0.031 0.000 0.939 22 E CA 0.699 57.111 56.400 0.021 0.000 0.884 22 E CB 0.037 29.748 29.700 0.018 0.000 0.850 22 E HN 0.617 nan 8.360 nan 0.000 0.481 23 N N -0.577 118.138 118.700 0.026 0.000 2.171 23 N HA -0.096 4.639 4.740 -0.008 0.000 0.184 23 N C 1.562 177.096 175.510 0.039 0.000 1.021 23 N CA 1.049 54.119 53.050 0.033 0.000 0.854 23 N CB 0.078 38.568 38.487 0.004 0.000 0.994 23 N HN -0.028 nan 8.380 nan 0.000 0.426 24 V N 0.181 120.109 119.914 0.025 0.000 2.343 24 V HA -0.232 3.883 4.120 -0.008 0.000 0.247 24 V C 2.014 178.127 176.094 0.033 0.000 1.051 24 V CA 1.912 64.226 62.300 0.024 0.000 1.036 24 V CB -0.944 30.889 31.823 0.017 0.000 0.654 24 V HN 0.393 nan 8.190 nan 0.000 0.451 25 T N -0.714 113.860 114.554 0.032 0.000 2.746 25 T HA -0.209 4.136 4.350 -0.008 0.000 0.267 25 T C 1.932 176.663 174.700 0.053 0.000 1.039 25 T CA 1.732 63.852 62.100 0.034 0.000 1.142 25 T CB -0.190 68.695 68.868 0.027 0.000 0.866 25 T HN 0.447 nan 8.240 nan 0.000 0.444 26 E N 0.975 121.214 120.200 0.066 0.000 2.072 26 E HA 0.004 4.349 4.350 -0.008 0.000 0.191 26 E C 2.057 178.733 176.600 0.127 0.000 0.985 26 E CA 0.861 57.315 56.400 0.089 0.000 0.801 26 E CB -0.493 29.267 29.700 0.101 0.000 0.750 26 E HN 0.431 nan 8.360 nan 0.000 0.452 27 L N 0.174 121.481 121.223 0.140 0.000 2.017 27 L HA -0.199 4.136 4.340 -0.008 0.000 0.208 27 L C 2.414 179.392 176.870 0.180 0.000 1.073 27 L CA 1.530 56.480 54.840 0.183 0.000 0.745 27 L CB -0.363 41.776 42.059 0.134 0.000 0.894 27 L HN 0.076 nan 8.230 nan 0.000 0.432 28 K N 0.102 120.565 120.400 0.105 0.000 2.097 28 K HA -0.230 4.085 4.320 -0.008 0.000 0.206 28 K C 2.171 178.867 176.600 0.160 0.000 1.049 28 K CA 1.404 57.742 56.287 0.085 0.000 0.933 28 K CB -0.140 32.370 32.500 0.016 0.000 0.717 28 K HN 0.219 nan 8.250 nan 0.000 0.442 29 K N 0.961 121.436 120.400 0.126 0.000 2.057 29 K HA -0.126 4.189 4.320 -0.008 0.000 0.206 29 K C 1.509 178.192 176.600 0.138 0.000 1.050 29 K CA 1.347 57.702 56.287 0.114 0.000 0.935 29 K CB -0.006 32.538 32.500 0.074 0.000 0.715 29 K HN 0.072 nan 8.250 nan 0.000 0.439 30 N N 0.295 119.089 118.700 0.157 0.000 2.331 30 N HA -0.120 4.615 4.740 -0.008 0.000 0.180 30 N C 1.631 177.284 175.510 0.239 0.000 1.019 30 N CA 0.778 53.911 53.050 0.140 0.000 0.881 30 N CB -0.230 38.344 38.487 0.146 0.000 0.972 30 N HN 0.210 nan 8.380 nan 0.000 0.435 31 F N 2.501 122.542 119.950 0.153 0.000 2.102 31 F HA -0.070 4.452 4.527 -0.008 0.000 0.298 31 F C 1.970 177.870 175.800 0.168 0.000 1.105 31 F CA 1.228 59.336 58.000 0.181 0.000 1.239 31 F CB -0.120 38.959 39.000 0.132 0.000 0.991 31 F HN -0.042 nan 8.300 nan 0.000 0.474 32 N N 0.506 119.427 118.700 0.368 0.000 2.244 32 N HA -0.174 4.561 4.740 -0.008 0.000 0.183 32 N C 2.010 177.591 175.510 0.119 0.000 1.016 32 N CA 1.085 54.272 53.050 0.228 0.000 0.866 32 N CB -0.505 38.099 38.487 0.194 0.000 0.980 32 N HN 0.393 nan 8.380 nan 0.000 0.430 33 R N 0.291 120.862 120.500 0.118 0.000 2.066 33 R HA -0.079 4.256 4.340 -0.008 0.000 0.232 33 R C 1.762 178.141 176.300 0.133 0.000 1.131 33 R CA 1.392 57.587 56.100 0.158 0.000 0.955 33 R CB -0.211 30.124 30.300 0.058 0.000 0.851 33 R HN 0.351 nan 8.270 nan 0.000 0.432 34 H N -0.346 118.762 119.070 0.063 0.000 2.389 34 H HA -0.112 4.439 4.556 -0.008 0.000 0.299 34 H C 1.884 177.147 175.328 -0.107 0.000 1.081 34 H CA 1.394 57.417 56.048 -0.042 0.000 1.345 34 H CB 0.102 29.802 29.762 -0.103 0.000 1.393 34 H HN 0.131 nan 8.280 nan 0.000 0.520 35 L N 0.016 121.220 121.223 -0.031 0.000 2.079 35 L HA -0.192 4.143 4.340 -0.008 0.000 0.210 35 L C 2.144 178.988 176.870 -0.043 0.000 1.081 35 L CA 1.853 56.643 54.840 -0.083 0.000 0.752 35 L CB -0.434 41.578 42.059 -0.079 0.000 0.896 35 L HN 0.300 nan 8.230 nan 0.000 0.433 36 H N -1.688 117.295 119.070 -0.145 0.000 2.273 36 H HA -0.041 4.510 4.556 -0.008 0.000 0.311 36 H C 1.810 176.930 175.328 -0.348 0.000 1.057 36 H CA 2.234 58.101 56.048 -0.302 0.000 1.360 36 H CB -0.316 29.157 29.762 -0.481 0.000 1.414 36 H HN 0.270 nan 8.280 nan 0.000 0.516 37 F N -0.187 119.748 119.950 -0.025 0.000 2.163 37 F HA -0.057 4.465 4.527 -0.008 0.000 0.297 37 F C 2.658 178.384 175.800 -0.123 0.000 1.094 37 F CA 1.495 59.435 58.000 -0.101 0.000 1.290 37 F CB -0.597 38.380 39.000 -0.038 0.000 1.017 37 F HN 0.186 nan 8.300 nan 0.000 0.483 38 T N 0.109 114.703 114.554 0.066 0.000 2.852 38 T HA 0.025 4.370 4.350 -0.008 0.000 0.256 38 T C 2.035 176.647 174.700 -0.147 0.000 1.038 38 T CA 0.933 62.995 62.100 -0.064 0.000 1.141 38 T CB -0.373 68.418 68.868 -0.129 0.000 0.869 38 T HN 0.117 nan 8.240 nan 0.000 0.439 39 L N 1.140 122.275 121.223 -0.146 0.000 2.446 39 L HA 0.174 4.509 4.340 -0.008 0.000 0.219 39 L C 0.402 177.177 176.870 -0.158 0.000 1.116 39 L CA -0.048 54.696 54.840 -0.161 0.000 0.844 39 L CB -0.109 41.864 42.059 -0.145 0.000 0.970 39 L HN -0.001 nan 8.230 nan 0.000 0.457 40 V N 0.643 120.447 119.914 -0.183 0.000 6.078 40 V HA -0.282 3.833 4.120 -0.008 0.000 0.301 40 V C 0.001 175.982 176.094 -0.189 0.000 0.571 40 V CA 1.133 63.295 62.300 -0.230 0.000 0.625 40 V CB -2.166 29.549 31.823 -0.179 0.000 0.271 40 V HN 0.444 nan 8.190 nan 0.000 0.788 41 K N 0.893 121.190 120.400 -0.171 0.000 2.469 41 K HA 0.792 5.107 4.320 -0.008 0.000 0.268 41 K C -0.724 175.842 176.600 -0.056 0.000 1.027 41 K CA -0.444 55.776 56.287 -0.112 0.000 0.893 41 K CB 2.764 35.196 32.500 -0.114 0.000 1.460 41 K HN 0.485 nan 8.250 nan 0.000 0.449 42 D N -0.845 119.544 120.400 -0.018 0.000 2.552 42 D HA 0.287 4.922 4.640 -0.008 0.000 0.239 42 D C 0.477 176.813 176.300 0.061 0.000 1.139 42 D CA -0.666 53.358 54.000 0.041 0.000 0.914 42 D CB 0.957 41.780 40.800 0.038 0.000 1.461 42 D HN 0.129 nan 8.370 nan 0.000 0.462 43 R N 0.285 120.853 120.500 0.113 0.000 2.355 43 R HA -0.019 4.316 4.340 -0.008 0.000 0.219 43 R C 0.680 177.054 176.300 0.122 0.000 1.107 43 R CA 0.488 56.692 56.100 0.173 0.000 1.021 43 R CB -0.748 29.651 30.300 0.166 0.000 0.852 43 R HN 0.498 nan 8.270 nan 0.000 0.475 44 N N 0.015 118.755 118.700 0.066 0.000 2.415 44 N HA -0.055 4.680 4.740 -0.008 0.000 0.176 44 N C 1.481 177.008 175.510 0.027 0.000 1.042 44 N CA 1.093 54.171 53.050 0.046 0.000 0.902 44 N CB 0.537 39.041 38.487 0.029 0.000 0.986 44 N HN 0.212 nan 8.380 nan 0.000 0.447 45 V N -2.985 116.932 119.914 0.005 0.000 3.432 45 V HA 0.547 4.662 4.120 -0.008 0.000 0.298 45 V C 0.686 176.743 176.094 -0.062 0.000 1.464 45 V CA -0.587 61.700 62.300 -0.020 0.000 1.046 45 V CB -0.171 31.635 31.823 -0.028 0.000 0.887 45 V HN 0.015 nan 8.190 nan 0.000 0.441 46 A N 2.091 124.852 122.820 -0.097 0.000 2.440 46 A HA 0.627 4.942 4.320 -0.008 0.000 0.251 46 A C 0.701 178.096 177.584 -0.316 0.000 1.089 46 A CA 0.752 52.615 52.037 -0.289 0.000 0.779 46 A CB 0.005 18.705 19.000 -0.500 0.000 1.022 46 A HN 0.843 nan 8.150 nan 0.000 0.492 47 T N -0.012 114.352 114.554 -0.317 0.000 2.949 47 T HA 0.586 4.931 4.350 -0.008 0.000 0.287 47 T C -2.184 172.423 174.700 -0.155 0.000 1.034 47 T CA -1.801 60.209 62.100 -0.150 0.000 1.018 47 T CB 1.289 70.120 68.868 -0.061 0.000 1.135 47 T HN 0.228 nan 8.240 nan 0.000 0.532 48 P HA -0.103 nan 4.420 nan 0.000 0.216 48 P C 1.593 179.005 177.300 0.187 0.000 1.150 48 P CA 0.983 64.220 63.100 0.228 0.000 0.843 48 P CB 0.058 31.859 31.700 0.168 0.000 0.787 49 R N -0.094 120.463 120.500 0.094 0.000 2.092 49 R HA -0.134 4.201 4.340 -0.008 0.000 0.231 49 R C 1.609 178.079 176.300 0.285 0.000 1.119 49 R CA 1.710 57.910 56.100 0.167 0.000 0.970 49 R CB -0.635 29.691 30.300 0.042 0.000 0.864 49 R HN 0.093 nan 8.270 nan 0.000 0.440 50 D N -0.326 120.111 120.400 0.061 0.000 2.144 50 D HA -0.176 4.459 4.640 -0.008 0.000 0.199 50 D C 1.661 177.979 176.300 0.030 0.000 0.984 50 D CA 1.255 55.246 54.000 -0.014 0.000 0.834 50 D CB -0.267 40.380 40.800 -0.255 0.000 0.955 50 D HN 0.306 nan 8.370 nan 0.000 0.465 51 Y N 0.010 120.417 120.300 0.178 0.000 2.242 51 Y HA -0.184 4.361 4.550 -0.008 0.000 0.291 51 Y C 2.298 178.332 175.900 0.223 0.000 1.137 51 Y CA 0.238 58.478 58.100 0.234 0.000 1.181 51 Y CB -1.092 37.567 38.460 0.331 0.000 0.989 51 Y HN 0.083 nan 8.280 nan 0.000 0.527 52 Y N -0.505 119.947 120.300 0.253 0.000 2.145 52 Y HA -0.273 4.272 4.550 -0.009 0.000 0.286 52 Y C 1.923 177.808 175.900 -0.025 0.000 1.145 52 Y CA 1.267 59.419 58.100 0.087 0.000 1.148 52 Y CB -1.116 37.306 38.460 -0.063 0.000 0.981 52 Y HN 0.039 nan 8.280 nan 0.000 0.507 53 F N 0.257 119.995 119.950 -0.353 0.000 2.186 53 F HA -0.113 4.409 4.527 -0.008 0.000 0.299 53 F C 2.632 178.271 175.800 -0.268 0.000 1.090 53 F CA 1.315 59.051 58.000 -0.440 0.000 1.307 53 F CB -0.818 38.106 39.000 -0.128 0.000 1.019 53 F HN 0.204 nan 8.300 nan 0.000 0.489 54 A N -0.245 122.528 122.820 -0.079 0.000 1.902 54 A HA -0.172 4.143 4.320 -0.008 0.000 0.217 54 A C 2.061 179.530 177.584 -0.191 0.000 1.181 54 A CA 1.523 53.390 52.037 -0.284 0.000 0.623 54 A CB -0.966 17.535 19.000 -0.832 0.000 0.818 54 A HN 0.342 nan 8.150 nan 0.000 0.443 55 L N -0.301 120.924 121.223 0.003 0.000 2.056 55 L HA 0.017 4.352 4.340 -0.008 0.000 0.207 55 L C 2.669 179.533 176.870 -0.011 0.000 1.078 55 L CA 2.082 57.048 54.840 0.210 0.000 0.749 55 L CB -0.922 41.317 42.059 0.300 0.000 0.901 55 L HN 0.335 nan 8.230 nan 0.000 0.433 56 A N -1.154 121.479 122.820 -0.311 0.000 1.883 56 A HA -0.291 4.024 4.320 -0.008 0.000 0.217 56 A C 2.148 179.401 177.584 -0.552 0.000 1.186 56 A CA 2.079 53.821 52.037 -0.491 0.000 0.624 56 A CB -1.112 17.268 19.000 -1.033 0.000 0.822 56 A HN 0.674 nan 8.150 nan 0.000 0.444 57 H N -0.870 117.898 119.070 -0.503 0.000 2.389 57 H HA -0.052 4.499 4.556 -0.008 0.000 0.299 57 H C 2.335 177.426 175.328 -0.395 0.000 1.081 57 H CA 1.925 57.603 56.048 -0.617 0.000 1.345 57 H CB -0.165 28.945 29.762 -1.087 0.000 1.393 57 H HN 0.465 nan 8.280 nan 0.000 0.520 58 T N -0.326 114.205 114.554 -0.039 0.000 2.746 58 T HA -0.130 4.215 4.350 -0.008 0.000 0.267 58 T C 2.242 177.102 174.700 0.267 0.000 1.039 58 T CA 1.352 63.593 62.100 0.236 0.000 1.142 58 T CB -0.361 68.709 68.868 0.336 0.000 0.866 58 T HN 0.101 nan 8.240 nan 0.000 0.444 59 V N 1.523 121.574 119.914 0.229 0.000 2.427 59 V HA -0.107 4.008 4.120 -0.008 0.000 0.248 59 V C 2.590 178.862 176.094 0.298 0.000 1.051 59 V CA 1.554 64.037 62.300 0.305 0.000 1.048 59 V CB -0.635 31.360 31.823 0.286 0.000 0.666 59 V HN 0.374 nan 8.190 nan 0.000 0.456 60 R N 0.316 120.929 120.500 0.189 0.000 2.091 60 R HA -0.219 4.116 4.340 -0.008 0.000 0.238 60 R C 1.977 178.370 176.300 0.156 0.000 1.136 60 R CA 2.133 58.338 56.100 0.175 0.000 0.959 60 R CB -0.426 29.814 30.300 -0.100 0.000 0.856 60 R HN 0.459 nan 8.270 nan 0.000 0.437 61 D N 0.005 120.474 120.400 0.116 0.000 2.133 61 D HA -0.186 4.449 4.640 -0.008 0.000 0.195 61 D C 1.740 178.042 176.300 0.005 0.000 0.997 61 D CA 1.231 55.267 54.000 0.058 0.000 0.840 61 D CB -0.447 40.364 40.800 0.018 0.000 0.947 61 D HN 0.456 nan 8.370 nan 0.000 0.452 62 H N -0.618 118.520 119.070 0.113 0.000 2.521 62 H HA -0.038 4.513 4.556 -0.008 0.000 0.286 62 H C 1.967 177.340 175.328 0.076 0.000 1.034 62 H CA 0.352 56.450 56.048 0.084 0.000 1.278 62 H CB 0.226 30.030 29.762 0.069 0.000 1.386 62 H HN 0.122 nan 8.280 nan 0.000 0.567 63 L N 0.882 122.219 121.223 0.191 0.000 2.202 63 L HA -0.076 4.259 4.340 -0.008 0.000 0.205 63 L C 2.630 179.611 176.870 0.185 0.000 1.083 63 L CA 0.696 55.617 54.840 0.135 0.000 0.790 63 L CB -0.521 41.596 42.059 0.097 0.000 0.942 63 L HN 0.078 nan 8.230 nan 0.000 0.452 64 V N -2.478 117.573 119.914 0.229 0.000 2.287 64 V HA -0.125 3.990 4.120 -0.008 0.000 0.248 64 V C 2.326 178.549 176.094 0.215 0.000 1.053 64 V CA 1.883 64.362 62.300 0.298 0.000 1.027 64 V CB -2.121 29.833 31.823 0.218 0.000 0.646 64 V HN 0.368 nan 8.190 nan 0.000 0.447 65 G N 0.165 109.043 108.800 0.130 0.000 2.440 65 G HA2 -0.235 3.720 3.960 -0.008 0.000 0.218 65 G HA3 -0.235 3.720 3.960 -0.008 0.000 0.218 65 G C 1.788 176.744 174.900 0.094 0.000 1.154 65 G CA 0.987 46.138 45.100 0.086 0.000 0.767 65 G HN 0.547 nan 8.290 nan 0.000 0.552 66 R N -1.472 119.094 120.500 0.109 0.000 2.115 66 R HA -0.050 4.285 4.340 -0.008 0.000 0.226 66 R C 2.242 178.632 176.300 0.151 0.000 1.100 66 R CA 0.922 57.072 56.100 0.084 0.000 0.980 66 R CB -0.299 30.032 30.300 0.051 0.000 0.875 66 R HN 0.484 nan 8.270 nan 0.000 0.445 67 W N 1.686 122.976 121.300 -0.017 0.000 2.379 67 W HA -0.049 4.607 4.660 -0.008 0.000 0.307 67 W C 1.664 178.167 176.519 -0.027 0.000 1.200 67 W CA 0.820 58.153 57.345 -0.019 0.000 1.297 67 W CB -0.546 28.921 29.460 0.012 0.000 1.140 67 W HN -0.066 nan 8.180 nan 0.000 0.507 68 I N 1.121 121.764 120.570 0.121 0.000 2.226 68 I HA -0.338 3.827 4.170 -0.008 0.000 0.245 68 I C 2.642 178.752 176.117 -0.013 0.000 1.100 68 I CA 1.975 63.257 61.300 -0.031 0.000 1.374 68 I CB -0.581 37.403 38.000 -0.027 0.000 1.057 68 I HN -0.019 nan 8.210 nan 0.000 0.413 69 R N 0.151 120.658 120.500 0.012 0.000 2.148 69 R HA -0.034 4.301 4.340 -0.008 0.000 0.223 69 R C 1.944 178.219 176.300 -0.041 0.000 1.088 69 R CA 1.401 57.497 56.100 -0.006 0.000 0.985 69 R CB -1.132 29.162 30.300 -0.010 0.000 0.880 69 R HN 0.175 nan 8.270 nan 0.000 0.451 70 T N 1.624 116.135 114.554 -0.071 0.000 2.708 70 T HA -0.101 4.244 4.350 -0.008 0.000 0.266 70 T C 1.806 176.272 174.700 -0.390 0.000 1.037 70 T CA 1.327 63.281 62.100 -0.243 0.000 1.146 70 T CB -0.107 68.650 68.868 -0.184 0.000 0.865 70 T HN 0.232 nan 8.240 nan 0.000 0.435 71 Q N 0.782 120.492 119.800 -0.150 0.000 2.170 71 Q HA -0.081 4.254 4.340 -0.008 0.000 0.203 71 Q C 2.313 178.339 176.000 0.044 0.000 0.976 71 Q CA 1.254 57.041 55.803 -0.028 0.000 0.858 71 Q CB -0.472 28.271 28.738 0.010 0.000 0.907 71 Q HN 0.484 nan 8.270 nan 0.000 0.433 72 Q N -0.054 119.762 119.800 0.028 0.000 2.119 72 Q HA -0.164 4.171 4.340 -0.008 0.000 0.201 72 Q C 1.886 177.986 176.000 0.167 0.000 0.972 72 Q CA 1.692 57.558 55.803 0.106 0.000 0.847 72 Q CB -0.293 28.486 28.738 0.068 0.000 0.903 72 Q HN 0.520 nan 8.270 nan 0.000 0.433 73 H N -0.860 118.191 119.070 -0.031 0.000 2.290 73 H HA -0.173 4.378 4.556 -0.008 0.000 0.298 73 H C 1.170 176.564 175.328 0.110 0.000 1.087 73 H CA 2.294 58.329 56.048 -0.020 0.000 1.291 73 H CB -0.400 29.278 29.762 -0.140 0.000 1.369 73 H HN 0.342 nan 8.280 nan 0.000 0.492 74 Y N -0.910 119.420 120.300 0.050 0.000 2.207 74 Y HA -0.214 4.331 4.550 -0.009 0.000 0.287 74 Y C 2.486 178.411 175.900 0.041 0.000 1.156 74 Y CA 1.133 59.229 58.100 -0.007 0.000 1.182 74 Y CB -1.364 37.157 38.460 0.102 0.000 0.979 74 Y HN 0.362 nan 8.280 nan 0.000 0.521 75 Y N 1.243 121.625 120.300 0.136 0.000 2.200 75 Y HA -0.170 4.375 4.550 -0.008 0.000 0.290 75 Y C 2.083 177.995 175.900 0.020 0.000 1.137 75 Y CA 1.587 59.729 58.100 0.071 0.000 1.163 75 Y CB -0.118 38.374 38.460 0.053 0.000 0.988 75 Y HN 0.078 nan 8.280 nan 0.000 0.518 76 E N 0.148 120.321 120.200 -0.044 0.000 2.028 76 E HA -0.141 4.204 4.350 -0.008 0.000 0.190 76 E C 1.910 178.415 176.600 -0.158 0.000 0.984 76 E CA 1.164 57.483 56.400 -0.136 0.000 0.800 76 E CB -0.164 29.527 29.700 -0.015 0.000 0.758 76 E HN 0.395 nan 8.360 nan 0.000 0.448 77 K N 0.834 121.132 120.400 -0.169 0.000 2.296 77 K HA -0.064 4.251 4.320 -0.008 0.000 0.200 77 K C 0.226 176.761 176.600 -0.109 0.000 1.048 77 K CA 0.486 56.679 56.287 -0.156 0.000 0.966 77 K CB -0.417 31.933 32.500 -0.250 0.000 0.754 77 K HN 0.081 nan 8.250 nan 0.000 0.466 78 D N 0.972 121.319 120.400 -0.087 0.000 2.735 78 D HA -0.109 4.526 4.640 -0.008 0.000 0.235 78 D C -2.253 174.019 176.300 -0.046 0.000 1.175 78 D CA 0.122 54.087 54.000 -0.058 0.000 0.683 78 D CB -0.196 40.545 40.800 -0.098 0.000 1.008 78 D HN 0.198 nan 8.370 nan 0.000 0.416 79 P HA 0.098 nan 4.420 nan 0.000 0.279 79 P C -0.193 177.063 177.300 -0.073 0.000 1.282 79 P CA -0.636 62.424 63.100 -0.065 0.000 0.788 79 P CB 0.634 32.281 31.700 -0.089 0.000 1.139 80 K N 0.907 121.266 120.400 -0.069 0.000 2.412 80 K HA 0.093 4.408 4.320 -0.008 0.000 0.281 80 K C -0.034 176.477 176.600 -0.148 0.000 1.027 80 K CA -0.111 56.130 56.287 -0.077 0.000 0.989 80 K CB 0.248 32.719 32.500 -0.048 0.000 0.935 80 K HN 0.242 nan 8.250 nan 0.000 0.475 81 R N 3.451 123.848 120.500 -0.173 0.000 2.404 81 R HA 0.354 4.689 4.340 -0.008 0.000 0.291 81 R C -0.528 175.486 176.300 -0.476 0.000 1.025 81 R CA -0.431 55.481 56.100 -0.314 0.000 0.991 81 R CB 0.816 30.925 30.300 -0.317 0.000 1.053 81 R HN 0.499 nan 8.270 nan 0.000 0.479 82 I N 4.354 124.586 120.570 -0.563 0.000 2.339 82 I HA 0.226 4.391 4.170 -0.008 0.000 0.290 82 I C -0.760 175.037 176.117 -0.534 0.000 0.994 82 I CA -0.786 60.141 61.300 -0.622 0.000 1.191 82 I CB 1.018 38.544 38.000 -0.790 0.000 1.343 82 I HN 0.535 nan 8.210 nan 0.000 0.458 83 Y N 5.911 126.178 120.300 -0.055 0.000 2.356 83 Y HA 0.298 4.843 4.550 -0.008 0.000 0.334 83 Y C -0.323 175.686 175.900 0.181 0.000 0.958 83 Y CA -0.753 57.441 58.100 0.157 0.000 1.196 83 Y CB 1.187 39.707 38.460 0.100 0.000 1.137 83 Y HN 0.387 nan 8.280 nan 0.000 0.485 84 Y N 4.724 125.204 120.300 0.301 0.000 2.454 84 Y HA 0.464 5.010 4.550 -0.008 0.000 0.345 84 Y C -0.804 175.359 175.900 0.439 0.000 0.970 84 Y CA -0.819 57.465 58.100 0.307 0.000 1.204 84 Y CB 0.352 38.994 38.460 0.303 0.000 1.122 84 Y HN 0.536 nan 8.280 nan 0.000 0.514 85 L N 5.331 126.606 121.223 0.086 0.000 2.276 85 L HA 0.477 4.812 4.340 -0.008 0.000 0.286 85 L C -0.075 176.802 176.870 0.012 0.000 1.061 85 L CA -0.302 54.638 54.840 0.167 0.000 0.807 85 L CB 1.114 43.242 42.059 0.115 0.000 1.177 85 L HN 0.574 nan 8.230 nan 0.000 0.429 86 S N 2.446 118.241 115.700 0.158 0.000 2.537 86 S HA 0.427 4.892 4.470 -0.008 0.000 0.270 86 S C -0.014 174.674 174.600 0.146 0.000 1.142 86 S CA -0.566 57.629 58.200 -0.009 0.000 0.870 86 S CB 1.580 64.545 63.200 -0.391 0.000 1.112 86 S HN 0.491 nan 8.310 nan 0.000 0.466 87 L N 2.703 124.046 121.223 0.199 0.000 2.591 87 L HA 0.461 4.796 4.340 -0.008 0.000 0.228 87 L C 0.249 177.312 176.870 0.322 0.000 1.133 87 L CA 0.958 55.983 54.840 0.309 0.000 0.880 87 L CB -0.107 42.155 42.059 0.338 0.000 1.033 87 L HN 0.646 nan 8.230 nan 0.000 0.450 88 E N -1.273 118.989 120.200 0.104 0.000 2.290 88 E HA 0.399 4.744 4.350 -0.008 0.000 0.274 88 E C -1.403 175.064 176.600 -0.221 0.000 0.889 88 E CA -0.430 56.017 56.400 0.079 0.000 0.760 88 E CB 1.892 31.631 29.700 0.065 0.000 1.206 88 E HN -0.172 nan 8.360 nan 0.000 0.419 89 F N 2.167 122.225 119.950 0.179 0.000 2.716 89 F HA 0.182 4.704 4.527 -0.009 0.000 0.354 89 F C -0.897 174.986 175.800 0.139 0.000 1.168 89 F CA -0.765 57.330 58.000 0.157 0.000 1.045 89 F CB 1.007 40.091 39.000 0.141 0.000 1.311 89 F HN 0.482 nan 8.300 nan 0.000 0.477 90 Y N 5.360 125.735 120.300 0.124 0.000 2.714 90 Y HA 0.225 4.770 4.550 -0.008 0.000 0.333 90 Y C 0.970 176.893 175.900 0.038 0.000 1.220 90 Y CA -1.110 57.015 58.100 0.042 0.000 1.513 90 Y CB 0.361 38.826 38.460 0.008 0.000 1.435 90 Y HN 0.546 nan 8.280 nan 0.000 0.489 91 M N 1.657 121.420 119.600 0.272 0.000 2.288 91 M HA 0.101 4.576 4.480 -0.008 0.000 0.266 91 M C 1.557 177.859 176.300 0.003 0.000 1.072 91 M CA 1.131 56.491 55.300 0.099 0.000 1.132 91 M CB -1.285 31.341 32.600 0.043 0.000 1.386 91 M HN 0.703 nan 8.290 nan 0.000 0.432 92 G N 1.124 109.955 108.800 0.051 0.000 2.562 92 G HA2 -0.261 3.694 3.960 -0.008 0.000 0.250 92 G HA3 -0.261 3.694 3.960 -0.008 0.000 0.250 92 G C -0.279 174.591 174.900 -0.049 0.000 1.269 92 G CA -0.369 44.708 45.100 -0.038 0.000 0.919 92 G HN 0.436 nan 8.290 nan 0.000 0.574 93 R N -0.618 119.827 120.500 -0.091 0.000 2.531 93 R HA 0.556 4.892 4.340 -0.008 0.000 0.273 93 R C 0.990 177.177 176.300 -0.190 0.000 1.070 93 R CA 0.297 56.348 56.100 -0.083 0.000 1.112 93 R CB 0.729 30.988 30.300 -0.068 0.000 1.049 93 R HN 0.532 nan 8.270 nan 0.000 0.508 94 T N 1.252 115.640 114.554 -0.278 0.000 2.969 94 T HA -0.013 4.332 4.350 -0.008 0.000 0.250 94 T C 1.481 175.800 174.700 -0.634 0.000 1.021 94 T CA -0.164 61.566 62.100 -0.617 0.000 1.003 94 T CB 0.133 68.257 68.868 -1.240 0.000 1.040 94 T HN 0.307 nan 8.240 nan 0.000 0.492 95 L N 2.038 123.110 121.223 -0.252 0.000 1.955 95 L HA -0.082 4.253 4.340 -0.008 0.000 0.213 95 L C 2.453 179.287 176.870 -0.061 0.000 1.072 95 L CA 2.031 56.872 54.840 0.002 0.000 0.755 95 L CB -0.764 41.490 42.059 0.326 0.000 0.888 95 L HN 0.190 nan 8.230 nan 0.000 0.432 96 Q N -0.809 118.957 119.800 -0.056 0.000 2.084 96 Q HA -0.255 4.080 4.340 -0.008 0.000 0.202 96 Q C 2.244 178.174 176.000 -0.115 0.000 0.978 96 Q CA 1.874 57.637 55.803 -0.066 0.000 0.844 96 Q CB -0.315 28.381 28.738 -0.069 0.000 0.898 96 Q HN 0.701 nan 8.270 nan 0.000 0.426 97 N N -0.968 117.624 118.700 -0.180 0.000 2.149 97 N HA -0.153 4.582 4.740 -0.008 0.000 0.188 97 N C 1.358 176.766 175.510 -0.171 0.000 1.019 97 N CA 1.801 54.736 53.050 -0.192 0.000 0.857 97 N CB 0.057 38.396 38.487 -0.247 0.000 0.997 97 N HN 0.220 nan 8.380 nan 0.000 0.426 98 T N 1.249 115.669 114.554 -0.223 0.000 2.777 98 T HA -0.054 4.291 4.350 -0.008 0.000 0.266 98 T C 2.066 176.711 174.700 -0.091 0.000 1.040 98 T CA 1.066 63.055 62.100 -0.185 0.000 1.141 98 T CB -0.064 68.656 68.868 -0.248 0.000 0.868 98 T HN 0.270 nan 8.240 nan 0.000 0.444 99 M N 0.574 120.136 119.600 -0.063 0.000 2.117 99 M HA -0.083 4.393 4.480 -0.008 0.000 0.262 99 M C 2.483 178.758 176.300 -0.043 0.000 1.065 99 M CA 1.223 56.501 55.300 -0.037 0.000 1.114 99 M CB -0.650 31.942 32.600 -0.013 0.000 1.361 99 M HN 0.099 nan 8.290 nan 0.000 0.408 100 V N 1.007 120.900 119.914 -0.036 0.000 2.255 100 V HA -0.283 3.832 4.120 -0.008 0.000 0.247 100 V C 1.793 177.910 176.094 0.039 0.000 1.051 100 V CA 2.018 64.323 62.300 0.008 0.000 1.018 100 V CB -0.903 30.923 31.823 0.004 0.000 0.641 100 V HN 0.473 nan 8.190 nan 0.000 0.445 101 N N -0.399 118.310 118.700 0.016 0.000 2.453 101 N HA -0.054 4.681 4.740 -0.008 0.000 0.183 101 N C 1.084 176.512 175.510 -0.136 0.000 1.041 101 N CA 0.749 53.795 53.050 -0.007 0.000 0.900 101 N CB -0.124 38.360 38.487 -0.005 0.000 0.961 101 N HN 0.291 nan 8.380 nan 0.000 0.443 102 L N -0.353 120.805 121.223 -0.109 0.000 2.640 102 L HA 0.403 4.738 4.340 -0.008 0.000 0.230 102 L C 0.596 177.386 176.870 -0.133 0.000 1.123 102 L CA -0.180 54.589 54.840 -0.118 0.000 0.900 102 L CB -0.641 41.370 42.059 -0.079 0.000 1.146 102 L HN 0.100 nan 8.230 nan 0.000 0.484 103 A N -0.582 122.161 122.820 -0.129 0.000 2.869 103 A HA -0.223 4.092 4.320 -0.008 0.000 0.280 103 A C 1.045 178.574 177.584 -0.091 0.000 1.458 103 A CA 0.984 52.955 52.037 -0.109 0.000 0.776 103 A CB -1.985 16.933 19.000 -0.137 0.000 1.028 103 A HN 0.229 nan 8.150 nan 0.000 0.547 104 L N -0.832 120.339 121.223 -0.086 0.000 2.693 104 L HA 0.270 4.605 4.340 -0.008 0.000 0.235 104 L C 1.765 178.605 176.870 -0.050 0.000 1.127 104 L CA 1.429 56.215 54.840 -0.090 0.000 0.914 104 L CB -0.149 41.833 42.059 -0.129 0.000 1.193 104 L HN 0.591 nan 8.230 nan 0.000 0.502 105 E N -0.204 119.975 120.200 -0.035 0.000 2.038 105 E HA -0.233 4.112 4.350 -0.008 0.000 0.195 105 E C 1.540 178.131 176.600 -0.015 0.000 1.000 105 E CA 1.417 57.806 56.400 -0.017 0.000 0.803 105 E CB 0.249 29.941 29.700 -0.014 0.000 0.750 105 E HN 0.425 nan 8.360 nan 0.000 0.448 106 N N 0.028 118.715 118.700 -0.021 0.000 2.188 106 N HA -0.117 4.618 4.740 -0.008 0.000 0.184 106 N C 1.578 177.077 175.510 -0.019 0.000 1.018 106 N CA 1.175 54.212 53.050 -0.021 0.000 0.858 106 N CB -0.345 38.128 38.487 -0.023 0.000 0.989 106 N HN 0.202 nan 8.380 nan 0.000 0.426 107 A N 0.419 123.225 122.820 -0.023 0.000 1.902 107 A HA -0.149 4.166 4.320 -0.008 0.000 0.217 107 A C 2.637 180.217 177.584 -0.007 0.000 1.181 107 A CA 1.337 53.363 52.037 -0.019 0.000 0.623 107 A CB -0.977 18.002 19.000 -0.035 0.000 0.818 107 A HN 0.439 nan 8.150 nan 0.000 0.443 108 C N -0.870 118.427 119.300 -0.005 0.000 2.450 108 C HA -0.047 4.408 4.460 -0.008 0.000 0.279 108 C C 2.444 177.439 174.990 0.009 0.000 1.335 108 C CA 0.921 59.947 59.018 0.013 0.000 1.749 108 C CB -1.035 26.726 27.740 0.035 0.000 1.963 108 C HN 0.653 nan 8.230 nan 0.000 0.501 109 D N 0.765 121.169 120.400 0.007 0.000 2.097 109 D HA -0.141 4.494 4.640 -0.008 0.000 0.195 109 D C 2.137 178.455 176.300 0.029 0.000 0.989 109 D CA 1.502 55.508 54.000 0.011 0.000 0.827 109 D CB -0.203 40.591 40.800 -0.009 0.000 0.966 109 D HN 0.481 nan 8.370 nan 0.000 0.456 110 E N 0.521 120.733 120.200 0.020 0.000 2.047 110 E HA -0.076 4.269 4.350 -0.008 0.000 0.191 110 E C 1.899 178.540 176.600 0.069 0.000 0.987 110 E CA 1.662 58.096 56.400 0.056 0.000 0.799 110 E CB -0.523 29.192 29.700 0.026 0.000 0.752 110 E HN 0.193 nan 8.360 nan 0.000 0.449 111 A N -0.053 122.773 122.820 0.010 0.000 1.883 111 A HA -0.238 4.077 4.320 -0.008 0.000 0.217 111 A C 2.522 180.031 177.584 -0.125 0.000 1.186 111 A CA 3.044 55.057 52.037 -0.041 0.000 0.624 111 A CB -1.573 17.406 19.000 -0.035 0.000 0.822 111 A HN 0.534 nan 8.150 nan 0.000 0.444 112 T N -3.784 110.690 114.554 -0.133 0.000 2.867 112 T HA -0.209 4.136 4.350 -0.008 0.000 0.268 112 T C 1.829 176.448 174.700 -0.136 0.000 1.057 112 T CA 1.533 63.495 62.100 -0.230 0.000 1.136 112 T CB -0.555 68.221 68.868 -0.153 0.000 0.874 112 T HN 0.465 nan 8.240 nan 0.000 0.466 113 Y N 2.166 122.387 120.300 -0.131 0.000 2.181 113 Y HA -0.067 4.479 4.550 -0.007 0.000 0.288 113 Y C 2.606 178.445 175.900 -0.102 0.000 1.146 113 Y CA 1.478 59.519 58.100 -0.097 0.000 1.164 113 Y CB -0.577 37.845 38.460 -0.064 0.000 0.982 113 Y HN 0.247 nan 8.280 nan 0.000 0.515 114 Q N -0.913 118.781 119.800 -0.178 0.000 2.291 114 Q HA -0.122 4.213 4.340 -0.008 0.000 0.205 114 Q C 1.429 177.278 176.000 -0.251 0.000 0.970 114 Q CA 0.940 56.603 55.803 -0.233 0.000 0.876 114 Q CB -0.072 28.616 28.738 -0.082 0.000 0.935 114 Q HN 0.353 nan 8.270 nan 0.000 0.455 115 L N -0.979 120.085 121.223 -0.265 0.000 2.591 115 L HA 0.163 4.498 4.340 -0.008 0.000 0.228 115 L C 1.042 177.743 176.870 -0.281 0.000 1.133 115 L CA 1.045 55.720 54.840 -0.274 0.000 0.880 115 L CB -0.163 41.653 42.059 -0.404 0.000 1.033 115 L HN 0.277 nan 8.230 nan 0.000 0.450 116 G N -0.107 108.507 108.800 -0.310 0.000 2.182 116 G HA2 -0.247 3.708 3.960 -0.008 0.000 0.248 116 G HA3 -0.247 3.708 3.960 -0.008 0.000 0.248 116 G C 0.023 174.791 174.900 -0.221 0.000 1.042 116 G CA 0.310 45.246 45.100 -0.273 0.000 0.775 116 G HN 0.276 nan 8.290 nan 0.000 0.501 117 L N -0.456 120.637 121.223 -0.216 0.000 2.354 117 L HA 0.611 4.946 4.340 -0.008 0.000 0.264 117 L C -0.682 176.164 176.870 -0.040 0.000 1.008 117 L CA -1.191 53.555 54.840 -0.157 0.000 0.819 117 L CB 1.979 43.884 42.059 -0.256 0.000 1.339 117 L HN 0.091 nan 8.230 nan 0.000 0.420 118 D N 2.042 122.448 120.400 0.010 0.000 2.412 118 D HA 0.184 4.819 4.640 -0.008 0.000 0.224 118 D C 0.659 176.994 176.300 0.058 0.000 1.093 118 D CA -0.290 53.742 54.000 0.053 0.000 0.850 118 D CB 1.493 42.328 40.800 0.058 0.000 1.046 118 D HN 0.518 nan 8.370 nan 0.000 0.507 119 M N 3.082 122.716 119.600 0.057 0.000 2.202 119 M HA -0.160 4.315 4.480 -0.008 0.000 0.262 119 M C 1.290 177.637 176.300 0.078 0.000 1.063 119 M CA 1.580 56.922 55.300 0.071 0.000 1.097 119 M CB 0.197 32.832 32.600 0.057 0.000 1.382 119 M HN 0.415 nan 8.290 nan 0.000 0.413 120 E N -0.213 120.023 120.200 0.061 0.000 2.106 120 E HA -0.248 4.097 4.350 -0.008 0.000 0.192 120 E C 1.854 178.493 176.600 0.064 0.000 0.984 120 E CA 1.352 57.785 56.400 0.056 0.000 0.806 120 E CB -0.117 29.612 29.700 0.047 0.000 0.750 120 E HN 0.640 nan 8.360 nan 0.000 0.458 121 E N 0.362 120.604 120.200 0.070 0.000 2.072 121 E HA -0.196 4.150 4.350 -0.008 0.000 0.191 121 E C 1.916 178.566 176.600 0.083 0.000 0.985 121 E CA 0.594 57.038 56.400 0.072 0.000 0.801 121 E CB 0.173 29.918 29.700 0.074 0.000 0.750 121 E HN 0.079 nan 8.360 nan 0.000 0.452 122 L N 1.424 122.720 121.223 0.120 0.000 2.093 122 L HA -0.143 4.192 4.340 -0.008 0.000 0.208 122 L C 2.039 178.990 176.870 0.133 0.000 1.085 122 L CA 1.625 56.573 54.840 0.180 0.000 0.755 122 L CB -0.553 41.662 42.059 0.261 0.000 0.904 122 L HN 0.136 nan 8.230 nan 0.000 0.435 123 E N -0.670 119.594 120.200 0.107 0.000 2.153 123 E HA -0.188 4.157 4.350 -0.008 0.000 0.194 123 E C 1.691 178.267 176.600 -0.039 0.000 0.988 123 E CA 0.750 57.186 56.400 0.060 0.000 0.811 123 E CB -0.046 29.688 29.700 0.057 0.000 0.746 123 E HN 0.433 nan 8.360 nan 0.000 0.466 124 E N 0.333 120.522 120.200 -0.019 0.000 2.478 124 E HA -0.071 4.275 4.350 -0.008 0.000 0.198 124 E C 1.800 178.347 176.600 -0.088 0.000 1.046 124 E CA 0.455 56.841 56.400 -0.023 0.000 0.870 124 E CB 0.113 29.832 29.700 0.032 0.000 0.818 124 E HN 0.425 nan 8.360 nan 0.000 0.527 125 I N 0.635 121.091 120.570 -0.190 0.000 2.716 125 I HA -0.074 4.091 4.170 -0.008 0.000 0.259 125 I C 1.343 177.166 176.117 -0.490 0.000 1.172 125 I CA 0.109 61.233 61.300 -0.295 0.000 1.478 125 I CB 0.132 37.960 38.000 -0.287 0.000 1.104 125 I HN -0.016 nan 8.210 nan 0.000 0.439 126 E N 2.377 122.161 120.200 -0.692 0.000 2.414 126 E HA -0.087 4.258 4.350 -0.008 0.000 0.263 126 E C -0.057 176.451 176.600 -0.153 0.000 1.000 126 E CA -0.085 55.963 56.400 -0.587 0.000 0.914 126 E CB 0.648 30.132 29.700 -0.361 0.000 0.948 126 E HN 0.057 nan 8.360 nan 0.000 0.444 127 E N 2.715 122.919 120.200 0.007 0.000 2.331 127 E HA 0.100 4.445 4.350 -0.008 0.000 0.272 127 E C -1.214 175.492 176.600 0.176 0.000 1.036 127 E CA -0.363 56.125 56.400 0.147 0.000 0.864 127 E CB 0.850 30.723 29.700 0.288 0.000 1.035 127 E HN 0.345 nan 8.360 nan 0.000 0.408 128 D N 1.498 121.982 120.400 0.140 0.000 2.382 128 D HA 0.289 4.924 4.640 -0.008 0.000 0.245 128 D C -0.843 175.502 176.300 0.075 0.000 1.120 128 D CA 0.141 54.201 54.000 0.100 0.000 0.890 128 D CB 1.034 41.889 40.800 0.093 0.000 1.201 128 D HN 0.422 nan 8.370 nan 0.000 0.433 129 A N 2.130 124.949 122.820 -0.002 0.000 2.650 129 A HA 0.493 4.808 4.320 -0.008 0.000 0.320 129 A C 0.904 178.328 177.584 -0.267 0.000 1.466 129 A CA -0.487 51.353 52.037 -0.329 0.000 1.099 129 A CB -0.186 18.701 19.000 -0.188 0.000 1.136 129 A HN 0.502 nan 8.150 nan 0.000 0.532 130 G N 2.054 110.612 108.800 -0.405 0.000 3.717 130 G HA2 0.417 4.372 3.960 -0.008 0.000 0.258 130 G HA3 0.417 4.372 3.960 -0.008 0.000 0.258 130 G C 0.299 174.841 174.900 -0.597 0.000 1.088 130 G CA -0.289 44.538 45.100 -0.456 0.000 1.737 130 G HN 0.690 nan 8.290 nan 0.000 0.648 131 L N 1.430 122.402 121.223 -0.418 0.000 2.862 131 L HA 0.362 4.697 4.340 -0.008 0.000 0.240 131 L C 1.046 177.841 176.870 -0.125 0.000 1.283 131 L CA -0.181 54.567 54.840 -0.154 0.000 1.117 131 L CB -0.373 41.733 42.059 0.079 0.000 1.444 131 L HN 0.349 nan 8.230 nan 0.000 0.456 132 G N -1.295 107.218 108.800 -0.478 0.000 2.660 132 G HA2 0.192 4.147 3.960 -0.008 0.000 0.290 132 G HA3 0.192 4.147 3.960 -0.008 0.000 0.290 132 G C -0.130 174.485 174.900 -0.474 0.000 1.432 132 G CA -0.460 44.432 45.100 -0.347 0.000 0.807 132 G HN -0.079 nan 8.290 nan 0.000 0.485 133 N N -0.792 117.825 118.700 -0.138 0.000 2.387 133 N HA 0.205 4.940 4.740 -0.008 0.000 0.176 133 N C 1.155 176.736 175.510 0.117 0.000 1.022 133 N CA 1.293 54.318 53.050 -0.041 0.000 0.883 133 N CB 1.251 39.769 38.487 0.052 0.000 1.019 133 N HN 0.839 nan 8.380 nan 0.000 0.435 134 G N -0.607 108.318 108.800 0.208 0.000 2.649 134 G HA2 0.142 4.097 3.960 -0.008 0.000 0.078 134 G HA3 0.142 4.097 3.960 -0.008 0.000 0.078 134 G C 0.748 175.745 174.900 0.161 0.000 1.110 134 G CA 0.208 45.449 45.100 0.235 0.000 1.269 134 G HN 0.147 nan 8.290 nan 0.000 0.581 135 G N 0.348 109.200 108.800 0.088 0.000 2.476 135 G HA2 -0.056 3.899 3.960 -0.008 0.000 0.218 135 G HA3 -0.056 3.899 3.960 -0.008 0.000 0.218 135 G C 1.875 176.767 174.900 -0.014 0.000 1.164 135 G CA 1.922 47.038 45.100 0.026 0.000 0.768 135 G HN 0.838 nan 8.290 nan 0.000 0.560 136 L N 1.434 122.640 121.223 -0.027 0.000 2.046 136 L HA 0.160 4.495 4.340 -0.008 0.000 0.208 136 L C 2.792 179.601 176.870 -0.101 0.000 1.077 136 L CA 2.443 57.197 54.840 -0.144 0.000 0.747 136 L CB -0.926 41.032 42.059 -0.168 0.000 0.896 136 L HN 0.165 nan 8.230 nan 0.000 0.432 137 G N -1.232 107.572 108.800 0.006 0.000 2.403 137 G HA2 -0.284 3.671 3.960 -0.008 0.000 0.216 137 G HA3 -0.284 3.671 3.960 -0.008 0.000 0.216 137 G C 1.730 176.693 174.900 0.104 0.000 1.154 137 G CA 0.676 45.803 45.100 0.044 0.000 0.784 137 G HN 0.336 nan 8.290 nan 0.000 0.538 138 R N 0.021 120.592 120.500 0.118 0.000 2.115 138 R HA 0.137 4.472 4.340 -0.008 0.000 0.226 138 R C 2.273 178.572 176.300 -0.002 0.000 1.100 138 R CA 0.752 56.901 56.100 0.081 0.000 0.980 138 R CB -0.829 29.481 30.300 0.015 0.000 0.875 138 R HN 0.330 nan 8.270 nan 0.000 0.445 139 L N 0.135 121.289 121.223 -0.116 0.000 2.046 139 L HA 0.016 4.351 4.340 -0.008 0.000 0.208 139 L C 2.078 178.666 176.870 -0.469 0.000 1.077 139 L CA 2.148 56.779 54.840 -0.348 0.000 0.747 139 L CB -0.831 40.977 42.059 -0.418 0.000 0.896 139 L HN 0.245 nan 8.230 nan 0.000 0.432 140 A N -0.571 122.114 122.820 -0.226 0.000 1.908 140 A HA -0.147 4.168 4.320 -0.008 0.000 0.218 140 A C 2.440 180.103 177.584 0.131 0.000 1.181 140 A CA 1.859 53.860 52.037 -0.060 0.000 0.627 140 A CB -1.139 17.778 19.000 -0.138 0.000 0.818 140 A HN 0.573 nan 8.150 nan 0.000 0.445 141 A N -1.050 121.866 122.820 0.161 0.000 1.873 141 A HA -0.157 4.158 4.320 -0.008 0.000 0.215 141 A C 2.312 179.977 177.584 0.136 0.000 1.186 141 A CA 1.653 53.810 52.037 0.201 0.000 0.616 141 A CB -1.263 17.840 19.000 0.172 0.000 0.823 141 A HN 0.599 nan 8.150 nan 0.000 0.442 142 C N -1.456 117.916 119.300 0.119 0.000 2.425 142 C HA -0.047 4.408 4.460 -0.008 0.000 0.277 142 C C 2.424 177.575 174.990 0.268 0.000 1.280 142 C CA 0.518 59.643 59.018 0.178 0.000 1.744 142 C CB -1.613 26.250 27.740 0.205 0.000 1.989 142 C HN 0.600 nan 8.230 nan 0.000 0.491 143 F N 0.632 120.575 119.950 -0.012 0.000 2.134 143 F HA -0.080 4.442 4.527 -0.009 0.000 0.299 143 F C 2.114 177.859 175.800 -0.091 0.000 1.097 143 F CA 1.087 59.025 58.000 -0.104 0.000 1.264 143 F CB -1.387 37.417 39.000 -0.325 0.000 1.001 143 F HN 0.103 nan 8.300 nan 0.000 0.479 144 L N 0.268 121.577 121.223 0.142 0.000 2.042 144 L HA -0.233 4.102 4.340 -0.008 0.000 0.210 144 L C 2.147 179.034 176.870 0.029 0.000 1.076 144 L CA 1.938 56.815 54.840 0.061 0.000 0.749 144 L CB -1.271 40.828 42.059 0.067 0.000 0.893 144 L HN 0.101 nan 8.230 nan 0.000 0.432 145 D N -1.530 118.898 120.400 0.046 0.000 2.097 145 D HA -0.170 4.465 4.640 -0.008 0.000 0.195 145 D C 2.184 178.504 176.300 0.034 0.000 0.989 145 D CA 1.478 55.490 54.000 0.020 0.000 0.827 145 D CB 0.160 40.970 40.800 0.016 0.000 0.966 145 D HN 0.181 nan 8.370 nan 0.000 0.456 146 S N -0.750 114.987 115.700 0.062 0.000 2.383 146 S HA -0.096 4.369 4.470 -0.008 0.000 0.227 146 S C 1.981 176.597 174.600 0.026 0.000 1.026 146 S CA 0.831 59.059 58.200 0.047 0.000 0.981 146 S CB -0.217 63.018 63.200 0.059 0.000 0.818 146 S HN 0.346 nan 8.310 nan 0.000 0.472 147 M N 0.887 120.495 119.600 0.013 0.000 2.213 147 M HA -0.077 4.398 4.480 -0.008 0.000 0.263 147 M C 2.396 178.699 176.300 0.006 0.000 1.062 147 M CA 1.326 56.628 55.300 0.004 0.000 1.105 147 M CB -0.453 32.127 32.600 -0.032 0.000 1.385 147 M HN 0.392 nan 8.290 nan 0.000 0.417 148 A N -0.349 122.473 122.820 0.003 0.000 1.929 148 A HA -0.090 4.225 4.320 -0.008 0.000 0.216 148 A C 2.150 179.753 177.584 0.031 0.000 1.176 148 A CA 1.786 53.829 52.037 0.010 0.000 0.628 148 A CB -0.938 18.052 19.000 -0.017 0.000 0.816 148 A HN 0.397 nan 8.150 nan 0.000 0.444 149 T N 0.315 114.892 114.554 0.038 0.000 2.915 149 T HA 0.019 4.364 4.350 -0.008 0.000 0.269 149 T C 1.295 176.028 174.700 0.056 0.000 1.071 149 T CA 1.015 63.151 62.100 0.061 0.000 1.132 149 T CB -0.248 68.663 68.868 0.072 0.000 0.878 149 T HN 0.333 nan 8.240 nan 0.000 0.479 150 L N 0.507 121.759 121.223 0.048 0.000 2.653 150 L HA 0.308 4.643 4.340 -0.008 0.000 0.231 150 L C 1.573 178.478 176.870 0.058 0.000 1.153 150 L CA -0.131 54.739 54.840 0.050 0.000 0.933 150 L CB -0.386 41.701 42.059 0.046 0.000 1.175 150 L HN 0.384 nan 8.230 nan 0.000 0.473 151 G N 1.228 110.068 108.800 0.066 0.000 2.273 151 G HA2 -0.284 3.671 3.960 -0.008 0.000 0.280 151 G HA3 -0.284 3.671 3.960 -0.008 0.000 0.280 151 G C 0.052 175.008 174.900 0.093 0.000 1.047 151 G CA 0.069 45.228 45.100 0.099 0.000 0.869 151 G HN 0.290 nan 8.290 nan 0.000 0.502 152 L N -0.260 120.985 121.223 0.037 0.000 2.334 152 L HA 0.637 4.972 4.340 -0.008 0.000 0.277 152 L C 1.168 177.918 176.870 -0.200 0.000 1.075 152 L CA -0.471 54.339 54.840 -0.051 0.000 0.804 152 L CB 1.715 43.754 42.059 -0.033 0.000 1.174 152 L HN 0.250 nan 8.230 nan 0.000 0.438 153 A N 2.994 125.546 122.820 -0.447 0.000 2.981 153 A HA 0.550 4.865 4.320 -0.008 0.000 0.280 153 A C 0.361 177.575 177.584 -0.616 0.000 1.743 153 A CA -0.159 51.313 52.037 -0.942 0.000 1.430 153 A CB -0.685 17.657 19.000 -1.097 0.000 1.085 153 A HN 0.704 nan 8.150 nan 0.000 0.597 154 A N 1.430 123.940 122.820 -0.518 0.000 2.325 154 A HA 0.792 5.107 4.320 -0.008 0.000 0.333 154 A C -0.994 176.290 177.584 -0.500 0.000 1.155 154 A CA -0.438 51.355 52.037 -0.408 0.000 0.814 154 A CB 0.700 19.547 19.000 -0.254 0.000 1.206 154 A HN 0.617 nan 8.150 nan 0.000 0.482 155 Y N 0.209 120.449 120.300 -0.101 0.000 2.373 155 Y HA 0.538 5.083 4.550 -0.008 0.000 0.336 155 Y C 0.790 176.770 175.900 0.133 0.000 0.979 155 Y CA -0.482 57.628 58.100 0.017 0.000 1.080 155 Y CB 2.448 41.012 38.460 0.173 0.000 1.190 155 Y HN 0.840 nan 8.280 nan 0.000 0.446 156 G N 2.145 111.018 108.800 0.122 0.000 2.332 156 G HA2 0.481 4.436 3.960 -0.008 0.000 0.310 156 G HA3 0.481 4.436 3.960 -0.008 0.000 0.310 156 G C -1.824 173.086 174.900 0.018 0.000 1.123 156 G CA -0.313 44.898 45.100 0.186 0.000 0.873 156 G HN 0.511 nan 8.290 nan 0.000 0.460 157 Y N 0.930 121.453 120.300 0.372 0.000 2.350 157 Y HA 0.636 5.181 4.550 -0.008 0.000 0.338 157 Y C 0.748 176.942 175.900 0.490 0.000 0.961 157 Y CA 0.188 58.476 58.100 0.314 0.000 1.100 157 Y CB 2.678 41.349 38.460 0.351 0.000 1.179 157 Y HN 0.875 nan 8.280 nan 0.000 0.454 158 G N 2.340 111.456 108.800 0.527 0.000 2.753 158 G HA2 0.611 4.566 3.960 -0.008 0.000 0.303 158 G HA3 0.611 4.566 3.960 -0.008 0.000 0.303 158 G C -1.740 173.401 174.900 0.403 0.000 1.242 158 G CA -0.807 44.631 45.100 0.564 0.000 0.810 158 G HN 0.424 nan 8.290 nan 0.000 0.515 159 I N 0.487 121.191 120.570 0.223 0.000 2.474 159 I HA 0.441 4.606 4.170 -0.008 0.000 0.294 159 I C 0.137 176.163 176.117 -0.151 0.000 1.005 159 I CA -0.740 60.585 61.300 0.042 0.000 1.113 159 I CB 2.334 40.190 38.000 -0.240 0.000 1.289 159 I HN 0.372 nan 8.210 nan 0.000 0.436 160 R N 5.992 126.507 120.500 0.024 0.000 2.593 160 R HA 0.257 4.592 4.340 -0.008 0.000 0.282 160 R C -1.324 175.036 176.300 0.099 0.000 1.300 160 R CA -0.427 55.721 56.100 0.079 0.000 1.221 160 R CB 0.017 30.346 30.300 0.049 0.000 1.157 160 R HN 0.394 nan 8.270 nan 0.000 0.555 161 Y N 1.907 122.368 120.300 0.269 0.000 2.425 161 Y HA -0.046 4.499 4.550 -0.008 0.000 0.331 161 Y C 1.568 177.646 175.900 0.297 0.000 1.157 161 Y CA -0.085 58.163 58.100 0.245 0.000 1.372 161 Y CB 0.971 39.553 38.460 0.204 0.000 1.253 161 Y HN 0.598 nan 8.280 nan 0.000 0.536 162 E N 1.522 121.900 120.200 0.298 0.000 2.358 162 E HA -0.012 4.333 4.350 -0.008 0.000 0.195 162 E C -0.790 175.689 176.600 -0.202 0.000 1.010 162 E CA 0.632 57.027 56.400 -0.008 0.000 0.856 162 E CB 0.067 29.623 29.700 -0.240 0.000 0.795 162 E HN 0.442 nan 8.360 nan 0.000 0.504 163 F N 0.828 121.006 119.950 0.379 0.000 2.499 163 F HA 0.497 5.019 4.527 -0.008 0.000 0.333 163 F C 0.821 176.709 175.800 0.146 0.000 1.138 163 F CA -0.934 57.236 58.000 0.283 0.000 0.945 163 F CB 2.138 41.234 39.000 0.160 0.000 1.181 163 F HN -0.036 nan 8.300 nan 0.000 0.435 164 G N 1.912 110.816 108.800 0.174 0.000 2.582 164 G HA2 0.343 4.298 3.960 -0.008 0.000 0.232 164 G HA3 0.343 4.298 3.960 -0.008 0.000 0.232 164 G C -0.540 174.306 174.900 -0.089 0.000 1.458 164 G CA -0.667 44.374 45.100 -0.098 0.000 1.062 164 G HN 0.521 nan 8.290 nan 0.000 0.566 165 I N 1.019 121.449 120.570 -0.232 0.000 2.683 165 I HA 0.229 4.394 4.170 -0.008 0.000 0.286 165 I C 0.497 176.508 176.117 -0.175 0.000 1.175 165 I CA -1.240 59.905 61.300 -0.259 0.000 1.429 165 I CB -0.307 37.445 38.000 -0.414 0.000 1.371 165 I HN 0.327 nan 8.210 nan 0.000 0.569 166 F N 6.479 126.439 119.950 0.015 0.000 2.589 166 F HA 0.270 4.792 4.527 -0.008 0.000 0.352 166 F C 0.421 176.272 175.800 0.083 0.000 1.168 166 F CA -0.536 57.497 58.000 0.055 0.000 1.353 166 F CB -0.280 38.742 39.000 0.036 0.000 1.116 166 F HN 0.432 nan 8.300 nan 0.000 0.608 167 N N 2.350 121.239 118.700 0.315 0.000 2.488 167 N HA 0.065 4.800 4.740 -0.008 0.000 0.274 167 N C -0.857 174.900 175.510 0.411 0.000 1.111 167 N CA -0.315 52.887 53.050 0.253 0.000 0.974 167 N CB 1.239 39.860 38.487 0.224 0.000 1.089 167 N HN 0.754 nan 8.380 nan 0.000 0.465 168 Q N 2.458 122.469 119.800 0.351 0.000 2.274 168 Q HA 0.173 4.508 4.340 -0.008 0.000 0.256 168 Q C -0.940 175.235 176.000 0.292 0.000 0.927 168 Q CA -0.324 55.723 55.803 0.407 0.000 0.939 168 Q CB 0.684 29.666 28.738 0.407 0.000 1.201 168 Q HN 0.222 nan 8.270 nan 0.000 0.426 169 K N 3.964 124.510 120.400 0.244 0.000 2.259 169 K HA 0.499 4.814 4.320 -0.008 0.000 0.249 169 K C -0.734 175.964 176.600 0.163 0.000 0.942 169 K CA -0.878 55.527 56.287 0.197 0.000 0.816 169 K CB 1.630 34.226 32.500 0.160 0.000 1.155 169 K HN 0.620 nan 8.250 nan 0.000 0.428 170 I N 2.231 122.887 120.570 0.142 0.000 2.355 170 I HA 0.239 4.404 4.170 -0.008 0.000 0.288 170 I C -0.413 175.760 176.117 0.093 0.000 0.999 170 I CA -0.663 60.691 61.300 0.091 0.000 1.163 170 I CB 0.866 38.897 38.000 0.051 0.000 1.316 170 I HN 0.399 nan 8.210 nan 0.000 0.454 171 C N 3.898 123.265 119.300 0.111 0.000 2.346 171 C HA 0.599 5.054 4.460 -0.008 0.000 0.326 171 C C 1.142 176.236 174.990 0.173 0.000 1.224 171 C CA -0.436 58.654 59.018 0.119 0.000 1.408 171 C CB 0.569 28.371 27.740 0.104 0.000 2.089 171 C HN 1.091 nan 8.230 nan 0.000 0.456 172 G N 2.345 111.223 108.800 0.129 0.000 2.225 172 G HA2 0.105 4.060 3.960 -0.008 0.000 0.267 172 G HA3 0.105 4.060 3.960 -0.008 0.000 0.267 172 G C 1.085 176.030 174.900 0.076 0.000 1.024 172 G CA 0.996 46.189 45.100 0.155 0.000 0.784 172 G HN 2.410 nan 8.290 nan 0.000 0.507 173 G N -2.994 105.789 108.800 -0.028 0.000 2.179 173 G HA2 -0.283 3.672 3.960 -0.008 0.000 0.260 173 G HA3 -0.283 3.672 3.960 -0.008 0.000 0.260 173 G C 0.348 175.033 174.900 -0.358 0.000 0.977 173 G CA 0.685 45.648 45.100 -0.227 0.000 0.641 173 G HN 1.191 nan 8.290 nan 0.000 0.533 174 W N 0.549 121.792 121.300 -0.095 0.000 2.516 174 W HA 0.677 5.332 4.660 -0.008 0.000 0.343 174 W C 0.595 177.056 176.519 -0.097 0.000 1.094 174 W CA -0.875 56.407 57.345 -0.105 0.000 1.250 174 W CB 0.828 30.242 29.460 -0.076 0.000 1.308 174 W HN 0.227 nan 8.180 nan 0.000 0.588 175 Q N 2.704 122.603 119.800 0.165 0.000 2.286 175 Q HA 0.324 4.659 4.340 -0.008 0.000 0.257 175 Q C -0.694 175.359 176.000 0.087 0.000 0.941 175 Q CA -0.025 55.838 55.803 0.101 0.000 0.912 175 Q CB 0.626 29.415 28.738 0.085 0.000 1.192 175 Q HN 0.307 nan 8.270 nan 0.000 0.410 176 M N 3.018 122.664 119.600 0.077 0.000 2.465 176 M HA 0.401 4.876 4.480 -0.008 0.000 0.316 176 M C -1.170 175.134 176.300 0.005 0.000 1.121 176 M CA -0.667 54.647 55.300 0.023 0.000 0.934 176 M CB 1.848 34.477 32.600 0.049 0.000 1.692 176 M HN 0.623 nan 8.290 nan 0.000 0.444 177 E N 1.637 121.770 120.200 -0.111 0.000 2.191 177 E HA 0.531 4.876 4.350 -0.008 0.000 0.274 177 E C -0.772 175.815 176.600 -0.022 0.000 0.948 177 E CA -0.629 55.668 56.400 -0.171 0.000 0.802 177 E CB 1.858 31.186 29.700 -0.620 0.000 1.137 177 E HN 0.529 nan 8.360 nan 0.000 0.397 178 E N 0.830 121.100 120.200 0.116 0.000 2.314 178 E HA 0.690 5.035 4.350 -0.008 0.000 0.272 178 E C -1.134 175.560 176.600 0.158 0.000 0.884 178 E CA -1.443 55.019 56.400 0.102 0.000 0.753 178 E CB 1.436 31.205 29.700 0.114 0.000 1.213 178 E HN 0.483 nan 8.360 nan 0.000 0.432 179 A N 2.407 125.278 122.820 0.085 0.000 2.565 179 A HA 0.026 4.341 4.320 -0.008 0.000 0.237 179 A C -0.001 177.755 177.584 0.288 0.000 1.053 179 A CA 0.470 52.572 52.037 0.108 0.000 0.755 179 A CB -0.026 18.909 19.000 -0.107 0.000 0.980 179 A HN 0.691 nan 8.150 nan 0.000 0.506 180 D N 1.660 122.302 120.400 0.404 0.000 2.522 180 D HA 0.209 4.844 4.640 -0.008 0.000 0.218 180 D C -0.399 176.225 176.300 0.539 0.000 1.149 180 D CA -0.233 54.003 54.000 0.394 0.000 0.981 180 D CB 0.278 41.241 40.800 0.272 0.000 1.041 180 D HN 0.407 nan 8.370 nan 0.000 0.518 181 D N 3.446 124.125 120.400 0.466 0.000 2.801 181 D HA -0.031 4.604 4.640 -0.008 0.000 0.232 181 D C 1.247 177.667 176.300 0.200 0.000 1.128 181 D CA -0.547 53.627 54.000 0.291 0.000 1.003 181 D CB -0.192 40.789 40.800 0.302 0.000 1.110 181 D HN 0.522 nan 8.370 nan 0.000 0.477 182 W N 1.810 123.134 121.300 0.039 0.000 2.538 182 W HA -0.051 4.604 4.660 -0.008 0.000 0.254 182 W C -0.046 176.516 176.519 0.071 0.000 1.249 182 W CA 0.152 57.543 57.345 0.076 0.000 1.253 182 W CB -0.690 28.818 29.460 0.080 0.000 1.130 182 W HN 0.214 nan 8.180 nan 0.000 0.618 183 L N 0.794 121.658 121.223 -0.599 0.000 2.640 183 L HA 0.202 4.537 4.340 -0.008 0.000 0.230 183 L C 2.720 179.414 176.870 -0.293 0.000 1.123 183 L CA -0.120 54.337 54.840 -0.639 0.000 0.900 183 L CB -0.557 40.993 42.059 -0.848 0.000 1.146 183 L HN -0.119 nan 8.230 nan 0.000 0.484 184 R N 0.581 120.963 120.500 -0.197 0.000 2.112 184 R HA -0.228 4.107 4.340 -0.008 0.000 0.242 184 R C 1.388 177.503 176.300 -0.308 0.000 1.137 184 R CA 2.126 58.071 56.100 -0.258 0.000 0.944 184 R CB -0.185 29.924 30.300 -0.317 0.000 0.857 184 R HN 0.286 nan 8.270 nan 0.000 0.435 185 Y N -0.361 119.951 120.300 0.020 0.000 2.461 185 Y HA 0.300 4.845 4.550 -0.008 0.000 0.277 185 Y C 0.845 176.740 175.900 -0.008 0.000 1.182 185 Y CA 0.502 58.621 58.100 0.031 0.000 1.276 185 Y CB 0.670 39.250 38.460 0.200 0.000 1.087 185 Y HN 0.440 nan 8.280 nan 0.000 0.519 186 G N 1.219 110.061 108.800 0.070 0.000 2.699 186 G HA2 -0.218 3.737 3.960 -0.008 0.000 0.686 186 G HA3 -0.218 3.737 3.960 -0.008 0.000 0.686 186 G C -1.217 173.760 174.900 0.128 0.000 1.301 186 G CA -0.799 44.316 45.100 0.025 0.000 0.816 186 G HN 0.256 nan 8.290 nan 0.000 0.595 187 N N 1.142 119.864 118.700 0.036 0.000 2.573 187 N HA 0.551 5.286 4.740 -0.008 0.000 0.262 187 N C -0.624 174.888 175.510 0.002 0.000 1.029 187 N CA -1.846 51.242 53.050 0.062 0.000 0.882 187 N CB 2.045 40.509 38.487 -0.039 0.000 1.204 187 N HN 0.266 nan 8.380 nan 0.000 0.519 188 P HA -0.010 nan 4.420 nan 0.000 0.226 188 P C 0.630 177.594 177.300 -0.560 0.000 1.153 188 P CA 0.745 63.535 63.100 -0.518 0.000 0.777 188 P CB 0.140 31.245 31.700 -0.991 0.000 0.794 189 W N 1.999 123.308 121.300 0.015 0.000 2.523 189 W HA 0.033 4.689 4.660 -0.008 0.000 0.278 189 W C 1.390 177.953 176.519 0.075 0.000 1.236 189 W CA -0.249 57.105 57.345 0.014 0.000 1.306 189 W CB -0.410 29.060 29.460 0.017 0.000 1.101 189 W HN 0.006 nan 8.180 nan 0.000 0.577 190 E N 1.778 122.154 120.200 0.294 0.000 2.349 190 E HA 0.295 4.640 4.350 -0.008 0.000 0.262 190 E C -0.565 176.204 176.600 0.283 0.000 1.088 190 E CA -0.629 55.955 56.400 0.306 0.000 0.899 190 E CB 1.178 31.069 29.700 0.317 0.000 1.044 190 E HN -0.322 nan 8.360 nan 0.000 0.420 191 K N 1.325 121.907 120.400 0.303 0.000 2.579 191 K HA 0.419 4.734 4.320 -0.008 0.000 0.250 191 K C -1.302 175.326 176.600 0.046 0.000 0.952 191 K CA -0.465 55.931 56.287 0.182 0.000 0.857 191 K CB 1.617 34.229 32.500 0.186 0.000 1.123 191 K HN 0.668 nan 8.250 nan 0.000 0.433 192 A N 4.110 126.865 122.820 -0.107 0.000 2.477 192 A HA 0.407 4.722 4.320 -0.008 0.000 0.246 192 A C -0.272 177.106 177.584 -0.344 0.000 1.078 192 A CA -0.184 51.530 52.037 -0.538 0.000 0.770 192 A CB 0.239 18.895 19.000 -0.574 0.000 1.011 192 A HN 0.658 nan 8.150 nan 0.000 0.494 193 R N 3.158 123.441 120.500 -0.362 0.000 2.835 193 R HA 0.198 4.533 4.340 -0.008 0.000 0.290 193 R C -2.323 173.809 176.300 -0.280 0.000 1.410 193 R CA -1.687 54.245 56.100 -0.280 0.000 1.590 193 R CB 0.631 30.893 30.300 -0.064 0.000 1.288 193 R HN 0.602 nan 8.270 nan 0.000 0.637 194 P HA -0.205 nan 4.420 nan 0.000 0.220 194 P C 0.833 178.040 177.300 -0.155 0.000 1.144 194 P CA 1.207 64.211 63.100 -0.159 0.000 0.800 194 P CB 0.386 32.005 31.700 -0.136 0.000 0.772 195 E N 0.082 120.082 120.200 -0.334 0.000 2.347 195 E HA -0.129 4.216 4.350 -0.008 0.000 0.196 195 E C 1.119 177.588 176.600 -0.219 0.000 1.008 195 E CA 0.731 56.914 56.400 -0.361 0.000 0.852 195 E CB -1.032 28.319 29.700 -0.583 0.000 0.783 195 E HN 0.398 nan 8.360 nan 0.000 0.505 196 F N 1.858 121.824 119.950 0.027 0.000 2.668 196 F HA 0.213 4.735 4.527 -0.008 0.000 0.297 196 F C 0.553 176.449 175.800 0.158 0.000 1.124 196 F CA -0.680 57.367 58.000 0.077 0.000 1.353 196 F CB 0.542 39.581 39.000 0.065 0.000 0.992 196 F HN -0.273 nan 8.300 nan 0.000 0.524 197 T N 3.200 117.907 114.554 0.256 0.000 2.928 197 T HA 0.270 4.615 4.350 -0.008 0.000 0.305 197 T C -0.040 174.769 174.700 0.182 0.000 1.035 197 T CA 0.487 62.731 62.100 0.239 0.000 1.145 197 T CB 0.612 69.569 68.868 0.148 0.000 0.963 197 T HN 0.085 nan 8.240 nan 0.000 0.545 198 L N 5.357 126.653 121.223 0.121 0.000 2.354 198 L HA 0.549 4.884 4.340 -0.008 0.000 0.264 198 L C -2.241 174.585 176.870 -0.074 0.000 1.008 198 L CA -2.522 52.314 54.840 -0.008 0.000 0.819 198 L CB 2.560 44.548 42.059 -0.118 0.000 1.339 198 L HN 0.402 nan 8.230 nan 0.000 0.420 199 P HA 0.300 nan 4.420 nan 0.000 0.288 199 P C -1.229 175.940 177.300 -0.218 0.000 1.267 199 P CA -0.407 62.611 63.100 -0.136 0.000 0.815 199 P CB 2.234 33.854 31.700 -0.134 0.000 0.989 200 V N 3.707 123.478 119.914 -0.238 0.000 2.656 200 V HA 0.325 4.440 4.120 -0.008 0.000 0.307 200 V C 0.162 176.046 176.094 -0.350 0.000 1.051 200 V CA -0.626 61.526 62.300 -0.246 0.000 0.893 200 V CB 1.561 33.303 31.823 -0.135 0.000 0.999 200 V HN 0.614 nan 8.190 nan 0.000 0.426 201 H N 3.702 122.629 119.070 -0.239 0.000 2.479 201 H HA 0.644 5.195 4.556 -0.008 0.000 0.335 201 H C -1.296 173.755 175.328 -0.463 0.000 1.142 201 H CA -0.138 55.682 56.048 -0.380 0.000 1.234 201 H CB 1.941 31.210 29.762 -0.821 0.000 1.503 201 H HN 0.480 nan 8.280 nan 0.000 0.510 202 F N 0.040 120.033 119.950 0.072 0.000 2.613 202 F HA 0.200 4.722 4.527 -0.008 0.000 0.314 202 F C -0.263 175.642 175.800 0.175 0.000 1.075 202 F CA -0.551 57.503 58.000 0.089 0.000 0.945 202 F CB 1.036 40.008 39.000 -0.046 0.000 1.310 202 F HN 0.546 nan 8.300 nan 0.000 0.467 203 Y N 0.232 120.816 120.300 0.472 0.000 2.896 203 Y HA -0.011 4.534 4.550 -0.008 0.000 0.466 203 Y C 1.371 177.508 175.900 0.397 0.000 1.197 203 Y CA 0.766 59.066 58.100 0.333 0.000 2.513 203 Y CB -1.892 36.697 38.460 0.214 0.000 1.232 203 Y HN 1.317 nan 8.280 nan 0.000 0.632 204 G N 0.641 109.706 108.800 0.442 0.000 2.593 204 G HA2 0.102 4.057 3.960 -0.008 0.000 0.237 204 G HA3 0.102 4.057 3.960 -0.008 0.000 0.237 204 G C -0.570 174.532 174.900 0.336 0.000 1.312 204 G CA 0.893 46.179 45.100 0.309 0.000 0.896 204 G HN 1.357 nan 8.290 nan 0.000 0.574 205 R N -2.576 118.117 120.500 0.323 0.000 2.752 205 R HA 0.701 5.036 4.340 -0.008 0.000 0.271 205 R C -1.403 175.022 176.300 0.209 0.000 1.026 205 R CA -0.998 55.234 56.100 0.220 0.000 0.901 205 R CB 1.327 31.704 30.300 0.129 0.000 1.243 205 R HN 0.885 nan 8.270 nan 0.000 0.463 206 V N 0.868 120.819 119.914 0.062 0.000 2.394 206 V HA 0.358 4.473 4.120 -0.008 0.000 0.282 206 V C -0.193 175.814 176.094 -0.145 0.000 1.031 206 V CA -0.511 61.752 62.300 -0.061 0.000 0.881 206 V CB 1.335 33.048 31.823 -0.182 0.000 0.982 206 V HN 0.701 nan 8.190 nan 0.000 0.451 207 E N 2.830 122.931 120.200 -0.166 0.000 2.171 207 E HA 0.407 4.752 4.350 -0.008 0.000 0.271 207 E C -1.082 175.371 176.600 -0.246 0.000 0.916 207 E CA -0.737 55.579 56.400 -0.140 0.000 0.774 207 E CB 0.953 30.630 29.700 -0.037 0.000 1.128 207 E HN 0.683 nan 8.360 nan 0.000 0.403 208 H N 2.636 121.718 119.070 0.021 0.000 2.597 208 H HA 0.185 4.736 4.556 -0.008 0.000 0.303 208 H C 0.141 175.476 175.328 0.012 0.000 1.057 208 H CA -0.225 55.831 56.048 0.013 0.000 1.261 208 H CB 0.962 30.728 29.762 0.006 0.000 1.397 208 H HN 0.555 nan 8.280 nan 0.000 0.461 209 T N -0.601 114.015 114.554 0.104 0.000 2.910 209 T HA 0.204 4.549 4.350 -0.008 0.000 0.279 209 T C 1.555 176.292 174.700 0.062 0.000 0.989 209 T CA -0.646 61.493 62.100 0.066 0.000 0.968 209 T CB 1.095 69.987 68.868 0.038 0.000 1.135 209 T HN 0.337 nan 8.240 nan 0.000 0.562 210 S N 0.236 115.960 115.700 0.041 0.000 2.368 210 S HA -0.142 4.323 4.470 -0.008 0.000 0.226 210 S C 0.993 175.614 174.600 0.034 0.000 1.044 210 S CA 1.449 59.668 58.200 0.032 0.000 1.062 210 S CB -0.475 62.739 63.200 0.024 0.000 0.931 210 S HN 0.736 nan 8.310 nan 0.000 0.440 211 Q N 0.325 120.146 119.800 0.035 0.000 2.644 211 Q HA 0.558 4.893 4.340 -0.008 0.000 0.245 211 Q C 0.051 176.076 176.000 0.041 0.000 1.064 211 Q CA 0.356 56.180 55.803 0.035 0.000 0.860 211 Q CB 0.665 29.420 28.738 0.027 0.000 1.145 211 Q HN 0.516 nan 8.270 nan 0.000 0.515 212 G N 0.699 109.534 108.800 0.058 0.000 2.663 212 G HA2 0.152 4.107 3.960 -0.008 0.000 0.686 212 G HA3 0.152 4.107 3.960 -0.008 0.000 0.686 212 G C -0.834 174.114 174.900 0.081 0.000 1.288 212 G CA -0.643 44.498 45.100 0.070 0.000 0.836 212 G HN 0.693 nan 8.290 nan 0.000 0.584 213 A N 0.413 123.277 122.820 0.073 0.000 2.302 213 A HA 0.830 5.145 4.320 -0.008 0.000 0.285 213 A C 0.390 177.949 177.584 -0.041 0.000 1.105 213 A CA -0.032 51.992 52.037 -0.021 0.000 0.816 213 A CB 0.864 19.822 19.000 -0.069 0.000 1.067 213 A HN 0.808 nan 8.150 nan 0.000 0.489 214 K N 0.518 120.876 120.400 -0.070 0.000 2.427 214 K HA 0.231 4.546 4.320 -0.008 0.000 0.252 214 K C -1.827 174.809 176.600 0.061 0.000 0.931 214 K CA -0.366 55.919 56.287 -0.003 0.000 0.793 214 K CB 2.228 34.725 32.500 -0.005 0.000 1.211 214 K HN 0.709 nan 8.250 nan 0.000 0.426 215 W N 5.354 126.573 121.300 -0.135 0.000 2.311 215 W HA 0.342 4.997 4.660 -0.008 0.000 0.317 215 W C -0.684 175.769 176.519 -0.111 0.000 1.065 215 W CA -0.831 56.438 57.345 -0.127 0.000 1.364 215 W CB 0.131 29.504 29.460 -0.145 0.000 1.233 215 W HN 0.344 nan 8.180 nan 0.000 0.409 216 V N 2.677 122.643 119.914 0.087 0.000 3.158 216 V HA 0.605 4.720 4.120 -0.008 0.000 0.315 216 V C -0.021 176.046 176.094 -0.045 0.000 1.148 216 V CA -0.901 61.369 62.300 -0.050 0.000 1.042 216 V CB 1.891 33.710 31.823 -0.007 0.000 1.101 216 V HN 0.448 nan 8.190 nan 0.000 0.448 217 D N 0.339 120.711 120.400 -0.048 0.000 2.723 217 D HA -0.140 4.495 4.640 -0.008 0.000 0.236 217 D C 0.545 176.843 176.300 -0.004 0.000 1.138 217 D CA 1.473 55.466 54.000 -0.012 0.000 0.676 217 D CB -1.531 39.284 40.800 0.024 0.000 1.069 217 D HN 1.271 nan 8.370 nan 0.000 0.430 218 T N -2.827 111.681 114.554 -0.077 0.000 2.874 218 T HA 0.505 4.850 4.350 -0.008 0.000 0.281 218 T C 0.443 175.185 174.700 0.069 0.000 0.994 218 T CA -0.780 61.291 62.100 -0.048 0.000 1.015 218 T CB 2.068 70.744 68.868 -0.320 0.000 1.028 218 T HN 0.028 nan 8.240 nan 0.000 0.523 219 Q N 0.582 120.487 119.800 0.175 0.000 2.241 219 Q HA 0.581 4.916 4.340 -0.008 0.000 0.254 219 Q C -0.957 175.135 176.000 0.154 0.000 0.917 219 Q CA -0.910 55.006 55.803 0.187 0.000 0.919 219 Q CB 1.946 30.867 28.738 0.305 0.000 1.237 219 Q HN 0.494 nan 8.270 nan 0.000 0.434 220 V N 2.907 122.862 119.914 0.069 0.000 2.435 220 V HA 0.441 4.556 4.120 -0.008 0.000 0.290 220 V C -0.332 175.812 176.094 0.084 0.000 1.030 220 V CA -0.653 61.626 62.300 -0.035 0.000 0.881 220 V CB 1.785 33.529 31.823 -0.133 0.000 0.983 220 V HN 0.494 nan 8.190 nan 0.000 0.445 221 V N 5.824 125.818 119.914 0.134 0.000 2.588 221 V HA 0.485 4.600 4.120 -0.008 0.000 0.304 221 V C -0.235 175.975 176.094 0.193 0.000 1.042 221 V CA -0.599 61.827 62.300 0.211 0.000 0.877 221 V CB 1.967 34.000 31.823 0.350 0.000 0.996 221 V HN 0.640 nan 8.190 nan 0.000 0.425 222 L N 3.549 124.884 121.223 0.187 0.000 2.375 222 L HA 0.759 5.094 4.340 -0.008 0.000 0.271 222 L C 0.446 177.502 176.870 0.310 0.000 1.107 222 L CA -0.368 54.576 54.840 0.174 0.000 0.806 222 L CB 1.389 43.531 42.059 0.139 0.000 1.146 222 L HN 0.752 nan 8.230 nan 0.000 0.447 223 A N 4.871 127.812 122.820 0.202 0.000 2.267 223 A HA 0.584 4.899 4.320 -0.008 0.000 0.315 223 A C -0.509 177.343 177.584 0.447 0.000 1.297 223 A CA -0.468 51.720 52.037 0.251 0.000 0.865 223 A CB 0.933 19.641 19.000 -0.487 0.000 1.165 223 A HN 0.783 nan 8.150 nan 0.000 0.513 224 M N 6.222 126.145 119.600 0.538 0.000 2.129 224 M HA 0.460 4.935 4.480 -0.008 0.000 0.348 224 M C -2.594 173.983 176.300 0.462 0.000 1.116 224 M CA -2.082 53.474 55.300 0.428 0.000 1.022 224 M CB 2.102 34.878 32.600 0.294 0.000 1.599 224 M HN 0.388 nan 8.290 nan 0.000 0.449 225 P HA 0.273 nan 4.420 nan 0.000 0.290 225 P C -1.985 175.260 177.300 -0.093 0.000 1.275 225 P CA -0.186 62.854 63.100 -0.100 0.000 0.841 225 P CB 0.828 32.241 31.700 -0.478 0.000 1.042 226 Y N 0.523 120.772 120.300 -0.084 0.000 2.331 226 Y HA 0.323 4.867 4.550 -0.008 0.000 0.334 226 Y C 0.187 176.085 175.900 -0.004 0.000 0.960 226 Y CA -0.252 57.851 58.100 0.005 0.000 1.130 226 Y CB 1.428 39.920 38.460 0.054 0.000 1.164 226 Y HN 0.215 nan 8.280 nan 0.000 0.458 227 D N 1.868 122.383 120.400 0.191 0.000 2.168 227 D HA 0.437 5.072 4.640 -0.008 0.000 0.246 227 D C -0.605 175.929 176.300 0.390 0.000 1.050 227 D CA -0.212 53.941 54.000 0.255 0.000 0.857 227 D CB 1.787 42.764 40.800 0.295 0.000 1.169 227 D HN 0.370 nan 8.370 nan 0.000 0.453 228 T N 2.918 117.617 114.554 0.240 0.000 2.824 228 T HA 0.499 4.844 4.350 -0.008 0.000 0.282 228 T C -2.563 171.998 174.700 -0.232 0.000 0.993 228 T CA -1.485 60.658 62.100 0.072 0.000 0.967 228 T CB 2.078 70.975 68.868 0.048 0.000 0.960 228 T HN 0.161 nan 8.240 nan 0.000 0.441 229 P HA 0.390 nan 4.420 nan 0.000 0.278 229 P C -1.058 175.924 177.300 -0.531 0.000 1.238 229 P CA -0.478 61.969 63.100 -1.089 0.000 0.794 229 P CB 0.806 31.547 31.700 -1.598 0.000 0.955 230 V N 4.719 124.377 119.914 -0.426 0.000 2.340 230 V HA 0.277 4.392 4.120 -0.008 0.000 0.277 230 V C -2.085 173.883 176.094 -0.211 0.000 1.017 230 V CA -1.848 60.298 62.300 -0.257 0.000 0.820 230 V CB 1.380 33.099 31.823 -0.174 0.000 1.028 230 V HN 0.558 nan 8.190 nan 0.000 0.436 231 P HA 0.273 nan 4.420 nan 0.000 0.280 231 P C 0.311 177.566 177.300 -0.074 0.000 1.244 231 P CA 0.305 63.324 63.100 -0.136 0.000 0.784 231 P CB 1.807 33.424 31.700 -0.139 0.000 0.913 232 G N 2.275 111.049 108.800 -0.043 0.000 2.562 232 G HA2 0.164 4.119 3.960 -0.008 0.000 0.275 232 G HA3 0.164 4.119 3.960 -0.008 0.000 0.275 232 G C -1.196 173.722 174.900 0.031 0.000 1.196 232 G CA -0.654 44.450 45.100 0.006 0.000 0.908 232 G HN 0.524 nan 8.290 nan 0.000 0.524 233 Y N 0.995 121.261 120.300 -0.056 0.000 2.637 233 Y HA 0.208 4.753 4.550 -0.009 0.000 0.350 233 Y C 1.423 177.290 175.900 -0.056 0.000 1.069 233 Y CA -0.136 57.926 58.100 -0.063 0.000 1.397 233 Y CB -0.016 38.405 38.460 -0.065 0.000 1.163 233 Y HN 0.722 nan 8.280 nan 0.000 0.527 234 R N 3.123 123.310 120.500 -0.521 0.000 3.591 234 R HA -0.332 4.003 4.340 -0.008 0.000 0.268 234 R C 0.080 176.233 176.300 -0.243 0.000 1.102 234 R CA 1.379 57.201 56.100 -0.464 0.000 0.732 234 R CB -2.055 27.792 30.300 -0.756 0.000 1.117 234 R HN 0.940 nan 8.270 nan 0.000 0.472 235 N N -0.755 117.859 118.700 -0.142 0.000 2.177 235 N HA 0.044 4.779 4.740 -0.008 0.000 0.218 235 N C -0.134 175.334 175.510 -0.070 0.000 1.182 235 N CA -0.522 52.480 53.050 -0.081 0.000 0.882 235 N CB 0.494 38.961 38.487 -0.033 0.000 1.052 235 N HN 0.084 nan 8.380 nan 0.000 0.519 236 N N -0.160 118.493 118.700 -0.078 0.000 2.753 236 N HA -0.133 4.602 4.740 -0.008 0.000 0.251 236 N C -1.011 174.466 175.510 -0.055 0.000 1.097 236 N CA 0.588 53.601 53.050 -0.063 0.000 0.786 236 N CB -1.278 37.172 38.487 -0.062 0.000 1.137 236 N HN 0.191 nan 8.380 nan 0.000 0.566 237 V N 1.072 120.958 119.914 -0.046 0.000 2.439 237 V HA 0.487 4.602 4.120 -0.008 0.000 0.282 237 V C 0.548 176.621 176.094 -0.035 0.000 1.039 237 V CA -0.528 61.753 62.300 -0.031 0.000 0.913 237 V CB 2.245 34.076 31.823 0.012 0.000 0.983 237 V HN -0.044 nan 8.190 nan 0.000 0.460 238 V N 5.273 125.171 119.914 -0.026 0.000 2.419 238 V HA 0.438 4.553 4.120 -0.008 0.000 0.287 238 V C -0.139 175.951 176.094 -0.008 0.000 1.017 238 V CA -0.835 61.418 62.300 -0.077 0.000 0.844 238 V CB 1.495 33.250 31.823 -0.113 0.000 1.011 238 V HN 0.845 nan 8.190 nan 0.000 0.429 239 N N 1.943 120.613 118.700 -0.050 0.000 2.476 239 N HA 0.578 5.313 4.740 -0.008 0.000 0.287 239 N C -0.051 175.455 175.510 -0.007 0.000 1.262 239 N CA -0.294 52.753 53.050 -0.006 0.000 0.980 239 N CB 1.238 39.678 38.487 -0.078 0.000 1.163 239 N HN 0.580 nan 8.380 nan 0.000 0.592 240 T N 0.705 115.268 114.554 0.015 0.000 2.863 240 T HA 0.436 4.781 4.350 -0.008 0.000 0.285 240 T C -0.310 174.374 174.700 -0.027 0.000 1.009 240 T CA -0.522 61.656 62.100 0.129 0.000 0.989 240 T CB 1.217 70.295 68.868 0.350 0.000 1.004 240 T HN 0.317 nan 8.240 nan 0.000 0.455 241 M N 3.550 123.101 119.600 -0.081 0.000 2.114 241 M HA 0.521 4.996 4.480 -0.008 0.000 0.332 241 M C -0.631 175.535 176.300 -0.223 0.000 1.014 241 M CA -0.748 54.409 55.300 -0.238 0.000 0.956 241 M CB 0.878 33.287 32.600 -0.319 0.000 1.551 241 M HN 0.489 nan 8.290 nan 0.000 0.427 242 R N 4.755 125.015 120.500 -0.400 0.000 2.265 242 R HA 0.568 4.903 4.340 -0.008 0.000 0.328 242 R C -1.987 174.054 176.300 -0.432 0.000 0.969 242 R CA -0.588 55.237 56.100 -0.458 0.000 0.832 242 R CB 0.937 30.792 30.300 -0.742 0.000 1.139 242 R HN 0.639 nan 8.270 nan 0.000 0.457 243 L N 5.504 126.571 121.223 -0.260 0.000 2.313 243 L HA 0.477 4.812 4.340 -0.008 0.000 0.283 243 L C -1.026 175.816 176.870 -0.047 0.000 1.013 243 L CA -0.595 54.190 54.840 -0.093 0.000 0.816 243 L CB 1.177 43.263 42.059 0.045 0.000 1.236 243 L HN 0.623 nan 8.230 nan 0.000 0.419 244 W N 2.183 123.622 121.300 0.231 0.000 2.376 244 W HA 0.615 5.270 4.660 -0.008 0.000 0.322 244 W C 0.535 177.295 176.519 0.402 0.000 1.160 244 W CA -0.302 57.205 57.345 0.270 0.000 1.218 244 W CB 1.409 30.899 29.460 0.050 0.000 1.205 244 W HN 0.447 nan 8.180 nan 0.000 0.559 245 S N 1.706 117.830 115.700 0.707 0.000 2.500 245 S HA 0.766 5.231 4.470 -0.008 0.000 0.301 245 S C -0.516 174.433 174.600 0.582 0.000 1.092 245 S CA -0.731 57.783 58.200 0.523 0.000 1.030 245 S CB 0.645 64.091 63.200 0.409 0.000 1.031 245 S HN 0.554 nan 8.310 nan 0.000 0.483 246 A N 3.874 126.885 122.820 0.318 0.000 2.366 246 A HA 0.709 5.024 4.320 -0.008 0.000 0.272 246 A C -0.351 177.339 177.584 0.177 0.000 1.135 246 A CA -0.208 51.935 52.037 0.176 0.000 0.804 246 A CB 0.201 19.040 19.000 -0.269 0.000 1.064 246 A HN 0.644 nan 8.150 nan 0.000 0.499 247 K N 0.818 121.341 120.400 0.205 0.000 2.427 247 K HA 0.666 4.981 4.320 -0.008 0.000 0.252 247 K C -0.358 176.315 176.600 0.122 0.000 0.931 247 K CA -0.069 56.309 56.287 0.150 0.000 0.793 247 K CB 2.060 34.659 32.500 0.164 0.000 1.211 247 K HN 0.885 nan 8.250 nan 0.000 0.426 248 A N 3.913 126.785 122.820 0.086 0.000 2.340 248 A HA 0.557 4.872 4.320 -0.008 0.000 0.268 248 A C -2.188 175.445 177.584 0.080 0.000 1.100 248 A CA -1.244 50.840 52.037 0.079 0.000 0.803 248 A CB -0.220 18.811 19.000 0.051 0.000 1.043 248 A HN 0.526 nan 8.150 nan 0.000 0.488 249 P HA 0.121 nan 4.420 nan 0.000 0.274 249 P C -0.185 177.166 177.300 0.085 0.000 1.231 249 P CA -0.296 62.854 63.100 0.083 0.000 0.790 249 P CB 0.550 32.300 31.700 0.082 0.000 0.951 250 N N 0.478 119.222 118.700 0.075 0.000 2.573 250 N HA -0.123 4.612 4.740 -0.008 0.000 0.187 250 N C 1.117 176.692 175.510 0.109 0.000 1.107 250 N CA 0.127 53.221 53.050 0.072 0.000 0.918 250 N CB -0.181 38.343 38.487 0.062 0.000 0.966 250 N HN 0.466 nan 8.380 nan 0.000 0.448 251 D N -0.117 120.362 120.400 0.132 0.000 2.117 251 D HA -0.037 4.598 4.640 -0.008 0.000 0.197 251 D C 0.076 176.597 176.300 0.370 0.000 0.987 251 D CA 1.312 55.423 54.000 0.185 0.000 0.829 251 D CB 0.276 41.157 40.800 0.136 0.000 0.961 251 D HN 0.061 nan 8.370 nan 0.000 0.460 262 Y N 2.973 123.265 120.300 -0.014 0.000 2.081 262 Y HA -0.184 4.361 4.550 -0.008 0.000 0.280 262 Y C 2.411 178.273 175.900 -0.063 0.000 1.163 262 Y CA 2.168 60.246 58.100 -0.036 0.000 1.135 262 Y CB 0.034 38.483 38.460 -0.018 0.000 0.970 262 Y HN 0.408 nan 8.280 nan 0.000 0.498 263 I N 0.476 120.949 120.570 -0.161 0.000 2.127 263 I HA -0.332 3.833 4.170 -0.008 0.000 0.241 263 I C 2.443 178.410 176.117 -0.250 0.000 1.075 263 I CA 1.608 62.755 61.300 -0.254 0.000 1.334 263 I CB -1.461 36.507 38.000 -0.053 0.000 1.040 263 I HN 0.387 nan 8.210 nan 0.000 0.405 264 Q N 0.505 120.213 119.800 -0.153 0.000 2.096 264 Q HA -0.157 4.178 4.340 -0.008 0.000 0.204 264 Q C 2.367 178.243 176.000 -0.206 0.000 0.982 264 Q CA 2.004 57.726 55.803 -0.135 0.000 0.850 264 Q CB -0.361 28.333 28.738 -0.072 0.000 0.901 264 Q HN 0.563 nan 8.270 nan 0.000 0.422 265 A N -0.152 122.496 122.820 -0.286 0.000 1.908 265 A HA -0.138 4.177 4.320 -0.008 0.000 0.218 265 A C 2.387 179.686 177.584 -0.476 0.000 1.181 265 A CA 1.675 53.428 52.037 -0.472 0.000 0.627 265 A CB -0.600 18.026 19.000 -0.624 0.000 0.818 265 A HN 0.236 nan 8.150 nan 0.000 0.445 266 V N 0.109 119.747 119.914 -0.459 0.000 2.358 266 V HA -0.209 3.906 4.120 -0.008 0.000 0.246 266 V C 2.502 178.453 176.094 -0.239 0.000 1.047 266 V CA 1.739 63.816 62.300 -0.373 0.000 1.035 266 V CB -0.725 30.828 31.823 -0.450 0.000 0.658 266 V HN 0.565 nan 8.190 nan 0.000 0.452 267 L N -0.215 120.882 121.223 -0.210 0.000 2.141 267 L HA -0.138 4.197 4.340 -0.008 0.000 0.209 267 L C 1.937 178.742 176.870 -0.108 0.000 1.094 267 L CA 1.230 55.991 54.840 -0.132 0.000 0.763 267 L CB -0.658 41.337 42.059 -0.107 0.000 0.908 267 L HN 0.330 nan 8.230 nan 0.000 0.437 268 D N -0.009 120.312 120.400 -0.132 0.000 2.363 268 D HA -0.059 4.576 4.640 -0.008 0.000 0.226 268 D C 2.084 178.338 176.300 -0.077 0.000 1.020 268 D CA 0.386 54.331 54.000 -0.093 0.000 0.892 268 D CB 0.028 40.774 40.800 -0.089 0.000 0.900 268 D HN 0.252 nan 8.370 nan 0.000 0.531 269 R N 0.445 120.888 120.500 -0.096 0.000 2.152 269 R HA -0.020 4.315 4.340 -0.008 0.000 0.232 269 R C 1.529 177.816 176.300 -0.022 0.000 1.117 269 R CA 0.567 56.633 56.100 -0.057 0.000 0.981 269 R CB -0.052 30.211 30.300 -0.063 0.000 0.870 269 R HN 0.132 nan 8.270 nan 0.000 0.451 270 N N 0.606 119.291 118.700 -0.025 0.000 2.585 270 N HA -0.124 4.611 4.740 -0.008 0.000 0.188 270 N C 1.292 176.801 175.510 -0.002 0.000 1.102 270 N CA 0.788 53.834 53.050 -0.005 0.000 0.920 270 N CB 0.078 38.563 38.487 -0.004 0.000 0.963 270 N HN 0.118 nan 8.380 nan 0.000 0.447 271 L N 0.775 121.994 121.223 -0.007 0.000 2.109 271 L HA -0.007 4.328 4.340 -0.008 0.000 0.207 271 L C 2.312 179.175 176.870 -0.012 0.000 1.086 271 L CA 1.102 55.940 54.840 -0.004 0.000 0.760 271 L CB -0.733 41.327 42.059 0.001 0.000 0.910 271 L HN 0.067 nan 8.230 nan 0.000 0.437 272 A N -0.997 121.821 122.820 -0.005 0.000 1.930 272 A HA -0.103 4.212 4.320 -0.008 0.000 0.215 272 A C 2.058 179.618 177.584 -0.039 0.000 1.176 272 A CA 0.944 52.972 52.037 -0.015 0.000 0.632 272 A CB -0.336 18.683 19.000 0.032 0.000 0.819 272 A HN 0.486 nan 8.150 nan 0.000 0.445 273 E N 0.289 120.482 120.200 -0.011 0.000 2.482 273 E HA -0.065 4.280 4.350 -0.008 0.000 0.196 273 E C 0.837 177.433 176.600 -0.006 0.000 1.047 273 E CA 0.161 56.558 56.400 -0.005 0.000 0.869 273 E CB -0.141 29.576 29.700 0.030 0.000 0.836 273 E HN 0.434 nan 8.360 nan 0.000 0.520 274 N N 1.052 119.748 118.700 -0.006 0.000 2.453 274 N HA -0.064 4.671 4.740 -0.008 0.000 0.183 274 N C 1.606 177.124 175.510 0.013 0.000 1.041 274 N CA 0.551 53.614 53.050 0.023 0.000 0.900 274 N CB -0.006 38.494 38.487 0.021 0.000 0.961 274 N HN 0.273 nan 8.380 nan 0.000 0.443 275 I N 0.380 120.900 120.570 -0.083 0.000 2.208 275 I HA -0.248 3.917 4.170 -0.008 0.000 0.245 275 I C 1.454 177.540 176.117 -0.051 0.000 1.097 275 I CA 1.251 62.466 61.300 -0.142 0.000 1.363 275 I CB -0.193 37.549 38.000 -0.430 0.000 1.051 275 I HN 0.125 nan 8.210 nan 0.000 0.413 276 S N -0.466 115.202 115.700 -0.054 0.000 2.582 276 S HA 0.178 4.643 4.470 -0.008 0.000 0.234 276 S C 1.478 176.221 174.600 0.239 0.000 0.961 276 S CA -0.521 57.737 58.200 0.096 0.000 0.953 276 S CB 0.236 63.478 63.200 0.070 0.000 0.800 276 S HN 0.211 nan 8.310 nan 0.000 0.471 277 R N 1.267 121.908 120.500 0.235 0.000 2.062 277 R HA 0.275 4.610 4.340 -0.008 0.000 0.229 277 R C 0.441 176.994 176.300 0.422 0.000 1.128 277 R CA 1.163 57.444 56.100 0.301 0.000 0.960 277 R CB -0.247 30.193 30.300 0.233 0.000 0.855 277 R HN 0.398 nan 8.270 nan 0.000 0.432 278 V N 0.228 120.345 119.914 0.338 0.000 2.971 278 V HA 0.382 4.497 4.120 -0.008 0.000 0.309 278 V C -1.612 174.445 176.094 -0.061 0.000 1.130 278 V CA -1.386 61.035 62.300 0.201 0.000 0.964 278 V CB 1.819 33.688 31.823 0.077 0.000 1.029 278 V HN 0.158 nan 8.190 nan 0.000 0.427 279 L N 6.361 127.324 121.223 -0.434 0.000 2.367 279 L HA 0.500 4.835 4.340 -0.008 0.000 0.275 279 L C -0.900 175.818 176.870 -0.253 0.000 1.129 279 L CA 0.371 54.750 54.840 -0.768 0.000 0.839 279 L CB 0.596 42.126 42.059 -0.882 0.000 1.133 279 L HN 0.684 nan 8.230 nan 0.000 0.453 280 Y N 6.852 127.067 120.300 -0.141 0.000 2.569 280 Y HA 0.193 4.738 4.550 -0.008 0.000 0.332 280 Y C -1.368 174.534 175.900 0.003 0.000 1.120 280 Y CA -1.308 56.785 58.100 -0.011 0.000 1.416 280 Y CB 0.344 38.824 38.460 0.033 0.000 1.210 280 Y HN 0.568 nan 8.280 nan 0.000 0.528 281 P HA -0.015 nan 4.420 nan 0.000 0.258 281 P C -0.829 176.610 177.300 0.232 0.000 1.559 281 P CA 0.240 63.450 63.100 0.183 0.000 0.855 281 P CB 0.081 31.972 31.700 0.318 0.000 1.594 282 N N 1.129 119.975 118.700 0.245 0.000 2.456 282 N HA 0.163 4.898 4.740 -0.008 0.000 0.288 282 N C -0.569 175.100 175.510 0.265 0.000 1.059 282 N CA 0.067 53.288 53.050 0.284 0.000 0.946 282 N CB 1.493 40.191 38.487 0.352 0.000 1.150 282 N HN 0.114 nan 8.380 nan 0.000 0.479 283 D N 1.706 122.292 120.400 0.309 0.000 2.425 283 D HA 0.137 4.772 4.640 -0.008 0.000 0.240 283 D C -0.452 176.077 176.300 0.381 0.000 1.080 283 D CA -0.202 53.978 54.000 0.299 0.000 0.836 283 D CB 0.431 41.399 40.800 0.279 0.000 1.125 283 D HN 0.402 nan 8.370 nan 0.000 0.525 284 N N 2.926 121.811 118.700 0.309 0.000 2.738 284 N HA -0.251 4.484 4.740 -0.008 0.000 0.249 284 N C -1.220 174.537 175.510 0.412 0.000 1.047 284 N CA 0.667 53.886 53.050 0.283 0.000 0.707 284 N CB -0.989 37.615 38.487 0.195 0.000 0.937 284 N HN 0.410 nan 8.380 nan 0.000 0.545 285 F N 0.820 120.883 119.950 0.188 0.000 2.651 285 F HA 0.382 4.904 4.527 -0.008 0.000 0.329 285 F C -1.229 174.660 175.800 0.148 0.000 1.186 285 F CA -1.039 57.048 58.000 0.145 0.000 1.046 285 F CB 0.821 39.868 39.000 0.079 0.000 1.296 285 F HN 0.001 nan 8.300 nan 0.000 0.497 286 F N 6.024 125.548 119.950 -0.709 0.000 2.411 286 F HA 0.457 4.978 4.527 -0.008 0.000 0.350 286 F C -0.340 175.032 175.800 -0.715 0.000 1.114 286 F CA -0.113 57.540 58.000 -0.580 0.000 1.135 286 F CB 0.713 39.416 39.000 -0.496 0.000 1.120 286 F HN 0.598 nan 8.300 nan 0.000 0.495 287 E N 4.538 124.127 120.200 -1.017 0.000 2.186 287 E HA 0.298 4.643 4.350 -0.008 0.000 0.255 287 E C -0.196 175.697 176.600 -1.179 0.000 0.881 287 E CA -0.737 55.172 56.400 -0.818 0.000 0.752 287 E CB 1.178 30.769 29.700 -0.182 0.000 1.176 287 E HN 0.906 nan 8.360 nan 0.000 0.421 288 G N 5.379 113.357 108.800 -1.370 0.000 3.102 288 G HA2 0.033 3.988 3.960 -0.008 0.000 0.264 288 G HA3 0.033 3.988 3.960 -0.008 0.000 0.264 288 G C -0.086 174.731 174.900 -0.139 0.000 0.788 288 G CA -0.185 44.316 45.100 -0.998 0.000 2.029 288 G HN 0.212 nan 8.290 nan 0.000 0.608 289 K N 0.501 120.901 120.400 -0.000 0.000 2.123 289 K HA 0.207 4.522 4.320 -0.008 0.000 0.259 289 K C 0.918 177.661 176.600 0.239 0.000 0.960 289 K CA -0.717 55.656 56.287 0.143 0.000 0.872 289 K CB 2.281 34.865 32.500 0.141 0.000 1.079 289 K HN 0.418 nan 8.250 nan 0.000 0.440 290 E N 1.405 121.712 120.200 0.178 0.000 2.085 290 E HA -0.217 4.128 4.350 -0.008 0.000 0.194 290 E C 1.557 178.195 176.600 0.063 0.000 0.994 290 E CA 1.106 57.565 56.400 0.098 0.000 0.801 290 E CB 0.162 29.922 29.700 0.100 0.000 0.743 290 E HN 0.392 nan 8.360 nan 0.000 0.453 291 L N 1.285 122.585 121.223 0.129 0.000 2.079 291 L HA -0.175 4.160 4.340 -0.008 0.000 0.210 291 L C 2.374 179.340 176.870 0.160 0.000 1.081 291 L CA 1.609 56.542 54.840 0.154 0.000 0.752 291 L CB -0.453 41.764 42.059 0.264 0.000 0.896 291 L HN 0.010 nan 8.230 nan 0.000 0.433 292 R N -0.508 120.035 120.500 0.072 0.000 2.075 292 R HA -0.102 4.233 4.340 -0.008 0.000 0.232 292 R C 2.198 178.543 176.300 0.075 0.000 1.126 292 R CA 1.585 57.646 56.100 -0.065 0.000 0.963 292 R CB -1.137 28.935 30.300 -0.380 0.000 0.858 292 R HN 0.430 nan 8.270 nan 0.000 0.435 293 L N 1.410 122.603 121.223 -0.051 0.000 2.083 293 L HA -0.114 4.221 4.340 -0.008 0.000 0.209 293 L C 1.907 178.737 176.870 -0.067 0.000 1.083 293 L CA 1.865 56.482 54.840 -0.373 0.000 0.752 293 L CB -0.337 41.221 42.059 -0.835 0.000 0.899 293 L HN 0.035 nan 8.230 nan 0.000 0.433 294 K N -0.985 119.426 120.400 0.018 0.000 2.097 294 K HA -0.187 4.128 4.320 -0.008 0.000 0.206 294 K C 2.066 178.842 176.600 0.293 0.000 1.049 294 K CA 1.730 58.110 56.287 0.154 0.000 0.933 294 K CB -0.175 32.245 32.500 -0.134 0.000 0.717 294 K HN 0.520 nan 8.250 nan 0.000 0.442 295 Q N 0.650 120.581 119.800 0.219 0.000 2.084 295 Q HA -0.181 4.154 4.340 -0.008 0.000 0.202 295 Q C 1.938 178.138 176.000 0.332 0.000 0.978 295 Q CA 1.377 57.359 55.803 0.299 0.000 0.844 295 Q CB -0.032 28.900 28.738 0.323 0.000 0.898 295 Q HN 0.390 nan 8.270 nan 0.000 0.426 296 E N -0.107 120.242 120.200 0.250 0.000 2.077 296 E HA -0.209 4.137 4.350 -0.008 0.000 0.193 296 E C 1.737 178.449 176.600 0.187 0.000 0.989 296 E CA 1.029 57.558 56.400 0.215 0.000 0.800 296 E CB -0.124 29.683 29.700 0.178 0.000 0.746 296 E HN 0.322 nan 8.360 nan 0.000 0.452 297 Y N 0.364 120.709 120.300 0.076 0.000 2.263 297 Y HA -0.190 4.355 4.550 -0.008 0.000 0.292 297 Y C 1.949 177.876 175.900 0.044 0.000 1.130 297 Y CA 0.912 59.003 58.100 -0.016 0.000 1.179 297 Y CB -0.362 38.041 38.460 -0.095 0.000 0.998 297 Y HN 0.004 nan 8.280 nan 0.000 0.532 298 F N -0.260 119.678 119.950 -0.019 0.000 2.065 298 F HA -0.263 4.259 4.527 -0.008 0.000 0.298 298 F C 2.498 178.156 175.800 -0.237 0.000 1.112 298 F CA 2.089 60.040 58.000 -0.081 0.000 1.212 298 F CB -1.091 38.012 39.000 0.171 0.000 0.975 298 F HN -0.058 nan 8.300 nan 0.000 0.476 299 V N -0.473 119.419 119.914 -0.037 0.000 2.427 299 V HA -0.204 3.911 4.120 -0.008 0.000 0.248 299 V C 2.188 178.137 176.094 -0.242 0.000 1.051 299 V CA 1.938 64.177 62.300 -0.102 0.000 1.048 299 V CB -0.368 31.585 31.823 0.217 0.000 0.666 299 V HN 0.263 nan 8.190 nan 0.000 0.456 300 V N 0.393 120.168 119.914 -0.233 0.000 2.358 300 V HA -0.160 3.955 4.120 -0.008 0.000 0.246 300 V C 2.789 178.619 176.094 -0.439 0.000 1.047 300 V CA 2.025 64.169 62.300 -0.260 0.000 1.035 300 V CB -1.050 30.679 31.823 -0.157 0.000 0.658 300 V HN 0.640 nan 8.190 nan 0.000 0.452 301 A N -0.041 122.344 122.820 -0.725 0.000 1.877 301 A HA -0.101 4.214 4.320 -0.008 0.000 0.216 301 A C 2.414 179.619 177.584 -0.631 0.000 1.186 301 A CA 2.103 53.703 52.037 -0.728 0.000 0.620 301 A CB -0.830 17.517 19.000 -1.089 0.000 0.822 301 A HN 0.552 nan 8.150 nan 0.000 0.443 302 A N -1.069 121.214 122.820 -0.894 0.000 1.898 302 A HA -0.063 4.252 4.320 -0.008 0.000 0.216 302 A C 2.314 179.392 177.584 -0.843 0.000 1.181 302 A CA 2.282 53.607 52.037 -1.187 0.000 0.620 302 A CB -1.295 16.335 19.000 -2.285 0.000 0.819 302 A HN 0.429 nan 8.150 nan 0.000 0.442 303 T N 0.521 114.714 114.554 -0.602 0.000 2.708 303 T HA -0.105 4.240 4.350 -0.008 0.000 0.266 303 T C 1.820 176.247 174.700 -0.455 0.000 1.037 303 T CA 1.481 63.337 62.100 -0.406 0.000 1.146 303 T CB -0.399 68.235 68.868 -0.389 0.000 0.865 303 T HN 0.342 nan 8.240 nan 0.000 0.435 304 L N 0.693 121.698 121.223 -0.364 0.000 2.083 304 L HA -0.161 4.174 4.340 -0.008 0.000 0.209 304 L C 2.902 179.651 176.870 -0.201 0.000 1.083 304 L CA 1.376 56.055 54.840 -0.269 0.000 0.752 304 L CB -0.511 41.429 42.059 -0.198 0.000 0.899 304 L HN 0.368 nan 8.230 nan 0.000 0.433 305 Q N -0.641 119.037 119.800 -0.204 0.000 2.119 305 Q HA -0.234 4.101 4.340 -0.008 0.000 0.201 305 Q C 1.761 177.718 176.000 -0.072 0.000 0.972 305 Q CA 1.582 57.314 55.803 -0.118 0.000 0.847 305 Q CB -0.090 28.567 28.738 -0.135 0.000 0.903 305 Q HN 0.386 nan 8.270 nan 0.000 0.433 306 D N 0.663 121.010 120.400 -0.088 0.000 2.117 306 D HA -0.107 4.528 4.640 -0.008 0.000 0.197 306 D C 1.685 177.923 176.300 -0.104 0.000 0.987 306 D CA 0.898 54.893 54.000 -0.009 0.000 0.829 306 D CB -0.029 40.872 40.800 0.169 0.000 0.961 306 D HN 0.160 nan 8.370 nan 0.000 0.460 307 I N 0.221 120.627 120.570 -0.274 0.000 2.179 307 I HA -0.243 3.922 4.170 -0.008 0.000 0.242 307 I C 2.322 178.445 176.117 0.010 0.000 1.088 307 I CA 0.783 61.871 61.300 -0.352 0.000 1.357 307 I CB -0.168 37.478 38.000 -0.591 0.000 1.051 307 I HN 0.051 nan 8.210 nan 0.000 0.409 308 I N 0.264 120.895 120.570 0.101 0.000 2.315 308 I HA -0.275 3.890 4.170 -0.008 0.000 0.248 308 I C 2.765 179.046 176.117 0.272 0.000 1.117 308 I CA 1.097 62.580 61.300 0.304 0.000 1.404 308 I CB -0.413 37.713 38.000 0.209 0.000 1.071 308 I HN 0.211 nan 8.210 nan 0.000 0.419 309 R N 1.351 121.929 120.500 0.130 0.000 2.073 309 R HA -0.201 4.134 4.340 -0.008 0.000 0.234 309 R C 2.514 178.866 176.300 0.086 0.000 1.134 309 R CA 1.597 57.751 56.100 0.090 0.000 0.952 309 R CB -0.243 30.080 30.300 0.038 0.000 0.850 309 R HN 0.176 nan 8.270 nan 0.000 0.433 310 R N -0.580 119.967 120.500 0.079 0.000 2.120 310 R HA -0.163 4.172 4.340 -0.008 0.000 0.234 310 R C 2.065 178.454 176.300 0.148 0.000 1.123 310 R CA 1.567 57.717 56.100 0.083 0.000 0.975 310 R CB -0.351 29.985 30.300 0.061 0.000 0.866 310 R HN 0.300 nan 8.270 nan 0.000 0.446 311 F N 1.544 121.528 119.950 0.057 0.000 2.113 311 F HA -0.070 4.452 4.527 -0.008 0.000 0.297 311 F C 1.553 177.371 175.800 0.030 0.000 1.103 311 F CA 1.495 59.531 58.000 0.060 0.000 1.248 311 F CB -0.066 39.031 39.000 0.161 0.000 0.999 311 F HN -0.148 nan 8.300 nan 0.000 0.475 312 K N -0.144 120.209 120.400 -0.078 0.000 2.519 312 K HA -0.080 4.235 4.320 -0.008 0.000 0.196 312 K C 1.931 178.418 176.600 -0.189 0.000 1.041 312 K CA 1.120 57.271 56.287 -0.226 0.000 0.954 312 K CB -0.177 32.306 32.500 -0.029 0.000 0.774 312 K HN 0.250 nan 8.250 nan 0.000 0.480 313 S N 0.022 115.658 115.700 -0.106 0.000 2.475 313 S HA -0.011 4.454 4.470 -0.008 0.000 0.224 313 S C 1.007 175.570 174.600 -0.061 0.000 1.042 313 S CA -0.199 57.985 58.200 -0.026 0.000 0.935 313 S CB 0.293 63.537 63.200 0.074 0.000 0.801 313 S HN 0.281 nan 8.310 nan 0.000 0.509 325 N N 1.286 119.957 118.700 -0.049 0.000 2.415 325 N HA 0.287 5.022 4.740 -0.008 0.000 0.246 325 N C 0.255 175.818 175.510 0.087 0.000 1.078 325 N CA -0.360 52.721 53.050 0.051 0.000 0.942 325 N CB 0.421 38.944 38.487 0.059 0.000 1.140 325 N HN 0.316 nan 8.380 nan 0.000 0.501 326 F N 1.157 121.203 119.950 0.161 0.000 2.805 326 F HA 0.001 4.523 4.527 -0.008 0.000 0.301 326 F C 1.271 177.145 175.800 0.124 0.000 1.196 326 F CA 0.333 58.422 58.000 0.148 0.000 1.439 326 F CB 0.126 39.084 39.000 -0.069 0.000 1.117 326 F HN 0.495 nan 8.300 nan 0.000 0.581 327 D N 0.174 120.717 120.400 0.238 0.000 2.219 327 D HA -0.140 4.495 4.640 -0.008 0.000 0.205 327 D C 2.162 178.559 176.300 0.163 0.000 0.970 327 D CA 1.166 55.264 54.000 0.163 0.000 0.851 327 D CB -0.071 40.797 40.800 0.114 0.000 0.943 327 D HN 0.237 nan 8.370 nan 0.000 0.488 328 A N -0.694 122.251 122.820 0.208 0.000 2.251 328 A HA 0.101 4.416 4.320 -0.008 0.000 0.209 328 A C 1.544 179.257 177.584 0.214 0.000 1.187 328 A CA -0.269 51.887 52.037 0.199 0.000 0.823 328 A CB -0.764 18.359 19.000 0.205 0.000 0.846 328 A HN 0.222 nan 8.150 nan 0.000 0.486 329 F N 1.814 121.753 119.950 -0.017 0.000 2.065 329 F HA -0.127 4.395 4.527 -0.008 0.000 0.298 329 F C -0.777 174.921 175.800 -0.170 0.000 1.112 329 F CA 2.430 60.217 58.000 -0.356 0.000 1.212 329 F CB -0.547 38.265 39.000 -0.313 0.000 0.975 329 F HN 0.199 nan 8.300 nan 0.000 0.476 330 P HA -0.106 nan 4.420 nan 0.000 0.222 330 P C 0.689 177.950 177.300 -0.065 0.000 1.147 330 P CA 1.502 64.579 63.100 -0.038 0.000 0.790 330 P CB -0.050 31.654 31.700 0.006 0.000 0.780 331 D N -1.007 119.376 120.400 -0.028 0.000 2.323 331 D HA -0.016 4.619 4.640 -0.008 0.000 0.209 331 D C 1.460 177.747 176.300 -0.021 0.000 0.973 331 D CA 0.856 54.851 54.000 -0.009 0.000 0.874 331 D CB 0.135 40.950 40.800 0.026 0.000 0.930 331 D HN 0.148 nan 8.370 nan 0.000 0.521 332 K N 0.110 120.474 120.400 -0.059 0.000 2.373 332 K HA 0.216 4.531 4.320 -0.008 0.000 0.200 332 K C -0.016 176.492 176.600 -0.152 0.000 1.054 332 K CA 0.046 56.307 56.287 -0.042 0.000 1.065 332 K CB 2.323 34.907 32.500 0.141 0.000 0.886 332 K HN -0.059 nan 8.250 nan 0.000 0.546 333 V N 0.776 120.508 119.914 -0.302 0.000 2.760 333 V HA 0.663 4.778 4.120 -0.008 0.000 0.309 333 V C -1.212 174.786 176.094 -0.160 0.000 1.077 333 V CA -1.271 60.850 62.300 -0.298 0.000 0.910 333 V CB 1.958 33.318 31.823 -0.772 0.000 1.008 333 V HN 0.105 nan 8.190 nan 0.000 0.424 334 A N 5.312 128.094 122.820 -0.064 0.000 2.359 334 A HA 0.913 5.228 4.320 -0.008 0.000 0.303 334 A C -1.112 176.494 177.584 0.036 0.000 1.066 334 A CA -0.409 51.619 52.037 -0.015 0.000 0.730 334 A CB 1.067 19.996 19.000 -0.118 0.000 1.211 334 A HN 0.754 nan 8.150 nan 0.000 0.439 335 I N 1.925 122.565 120.570 0.117 0.000 2.382 335 I HA 0.315 4.480 4.170 -0.008 0.000 0.286 335 I C -0.337 175.878 176.117 0.164 0.000 1.002 335 I CA -0.556 60.829 61.300 0.141 0.000 1.135 335 I CB 1.965 40.030 38.000 0.108 0.000 1.288 335 I HN 0.702 nan 8.210 nan 0.000 0.448 336 Q N 6.024 125.924 119.800 0.167 0.000 2.314 336 Q HA 0.459 4.794 4.340 -0.008 0.000 0.259 336 Q C -1.435 174.591 176.000 0.044 0.000 0.951 336 Q CA -0.512 55.428 55.803 0.228 0.000 0.909 336 Q CB 1.299 30.299 28.738 0.437 0.000 1.236 336 Q HN 0.425 nan 8.270 nan 0.000 0.444 337 L N 4.201 125.483 121.223 0.098 0.000 2.261 337 L HA 0.331 4.666 4.340 -0.008 0.000 0.289 337 L C -0.216 176.695 176.870 0.069 0.000 1.059 337 L CA -0.177 54.707 54.840 0.073 0.000 0.816 337 L CB 0.632 42.784 42.059 0.155 0.000 1.191 337 L HN 0.602 nan 8.230 nan 0.000 0.431 338 N N 3.287 121.942 118.700 -0.076 0.000 2.508 338 N HA 0.150 4.885 4.740 -0.008 0.000 0.253 338 N C -0.010 175.503 175.510 0.004 0.000 1.145 338 N CA 0.425 53.462 53.050 -0.021 0.000 0.973 338 N CB -0.203 38.158 38.487 -0.210 0.000 1.305 338 N HN 0.670 nan 8.380 nan 0.000 0.506 339 D N -0.651 119.868 120.400 0.199 0.000 3.876 339 D HA -0.251 4.384 4.640 -0.008 0.000 0.275 339 D C 0.473 176.890 176.300 0.195 0.000 2.055 339 D CA 1.888 56.004 54.000 0.193 0.000 1.173 339 D CB -0.516 40.169 40.800 -0.193 0.000 0.929 339 D HN 0.466 nan 8.370 nan 0.000 1.134 340 T N -3.140 111.473 114.554 0.099 0.000 3.100 340 T HA 0.090 4.435 4.350 -0.008 0.000 0.253 340 T C 1.507 176.308 174.700 0.169 0.000 1.118 340 T CA 1.466 63.610 62.100 0.073 0.000 1.058 340 T CB -0.511 68.373 68.868 0.027 0.000 0.953 340 T HN 0.523 nan 8.240 nan 0.000 0.515 341 H N 2.653 121.815 119.070 0.152 0.000 2.353 341 H HA -0.025 4.526 4.556 -0.008 0.000 0.298 341 H C -0.773 174.646 175.328 0.152 0.000 1.103 341 H CA 1.144 57.296 56.048 0.172 0.000 1.293 341 H CB -0.798 29.062 29.762 0.164 0.000 1.372 341 H HN 0.452 nan 8.280 nan 0.000 0.501 342 P HA 0.090 nan 4.420 nan 0.000 0.266 342 P C 0.718 178.067 177.300 0.081 0.000 1.561 342 P CA 0.373 63.557 63.100 0.139 0.000 1.089 342 P CB 0.470 32.239 31.700 0.115 0.000 1.534 343 S N -0.065 115.681 115.700 0.075 0.000 2.440 343 S HA -0.122 4.343 4.470 -0.008 0.000 0.238 343 S C 1.768 176.375 174.600 0.011 0.000 1.010 343 S CA 0.763 58.968 58.200 0.009 0.000 0.972 343 S CB -1.449 61.734 63.200 -0.027 0.000 0.774 343 S HN 0.154 nan 8.310 nan 0.000 0.501 344 L N 0.931 122.174 121.223 0.033 0.000 2.549 344 L HA 0.068 4.404 4.340 -0.008 0.000 0.229 344 L C 2.844 179.747 176.870 0.054 0.000 1.158 344 L CA 0.550 55.410 54.840 0.034 0.000 0.842 344 L CB -0.706 41.373 42.059 0.034 0.000 0.952 344 L HN 0.468 nan 8.230 nan 0.000 0.452 345 A N 0.513 123.347 122.820 0.023 0.000 1.972 345 A HA -0.171 4.144 4.320 -0.008 0.000 0.219 345 A C 2.181 179.763 177.584 -0.003 0.000 1.169 345 A CA 1.334 53.370 52.037 -0.001 0.000 0.635 345 A CB -0.397 18.596 19.000 -0.011 0.000 0.810 345 A HN 0.366 nan 8.150 nan 0.000 0.446 346 I N 0.355 120.925 120.570 0.000 0.000 2.113 346 I HA -0.150 4.015 4.170 -0.008 0.000 0.238 346 I C -0.295 175.838 176.117 0.026 0.000 1.070 346 I CA 1.607 62.905 61.300 -0.003 0.000 1.332 346 I CB -1.059 36.943 38.000 0.003 0.000 1.044 346 I HN 0.253 nan 8.210 nan 0.000 0.402 347 P HA -0.165 nan 4.420 nan 0.000 0.221 347 P C 1.262 178.581 177.300 0.031 0.000 1.150 347 P CA 1.484 64.616 63.100 0.053 0.000 0.800 347 P CB 0.046 31.797 31.700 0.085 0.000 0.787 348 E N 0.356 120.639 120.200 0.138 0.000 2.072 348 E HA -0.148 4.197 4.350 -0.008 0.000 0.191 348 E C 1.947 178.531 176.600 -0.026 0.000 0.985 348 E CA 0.650 57.148 56.400 0.163 0.000 0.801 348 E CB -1.198 28.637 29.700 0.226 0.000 0.750 348 E HN 0.002 nan 8.360 nan 0.000 0.452 349 L N -0.023 121.154 121.223 -0.075 0.000 2.046 349 L HA -0.095 4.240 4.340 -0.008 0.000 0.208 349 L C 2.088 178.815 176.870 -0.238 0.000 1.077 349 L CA 1.759 56.495 54.840 -0.173 0.000 0.747 349 L CB -0.541 41.417 42.059 -0.167 0.000 0.896 349 L HN 0.237 nan 8.230 nan 0.000 0.432 350 M N -0.808 118.667 119.600 -0.207 0.000 2.117 350 M HA -0.207 4.268 4.480 -0.008 0.000 0.262 350 M C 2.430 178.563 176.300 -0.279 0.000 1.065 350 M CA 1.520 56.645 55.300 -0.292 0.000 1.114 350 M CB -1.182 31.233 32.600 -0.308 0.000 1.361 350 M HN 0.343 nan 8.290 nan 0.000 0.408 351 R N 0.049 120.411 120.500 -0.230 0.000 2.083 351 R HA -0.129 4.206 4.340 -0.008 0.000 0.237 351 R C 2.072 178.266 176.300 -0.177 0.000 1.137 351 R CA 1.662 57.629 56.100 -0.222 0.000 0.951 351 R CB -0.188 29.930 30.300 -0.303 0.000 0.851 351 R HN 0.199 nan 8.270 nan 0.000 0.434 352 V N 1.492 121.301 119.914 -0.176 0.000 2.295 352 V HA -0.255 3.860 4.120 -0.008 0.000 0.246 352 V C 2.409 178.345 176.094 -0.264 0.000 1.049 352 V CA 1.744 63.935 62.300 -0.181 0.000 1.024 352 V CB -0.408 31.303 31.823 -0.187 0.000 0.648 352 V HN 0.347 nan 8.190 nan 0.000 0.447 353 L N -0.636 120.365 121.223 -0.370 0.000 2.056 353 L HA -0.122 4.213 4.340 -0.008 0.000 0.207 353 L C 2.394 179.091 176.870 -0.288 0.000 1.078 353 L CA 1.106 55.669 54.840 -0.463 0.000 0.749 353 L CB -0.617 41.113 42.059 -0.549 0.000 0.901 353 L HN 0.211 nan 8.230 nan 0.000 0.433 354 V N -0.543 119.236 119.914 -0.225 0.000 2.331 354 V HA -0.182 3.933 4.120 -0.008 0.000 0.242 354 V C 1.968 178.022 176.094 -0.067 0.000 1.034 354 V CA 1.692 63.919 62.300 -0.122 0.000 1.027 354 V CB -0.375 31.394 31.823 -0.089 0.000 0.667 354 V HN 0.342 nan 8.190 nan 0.000 0.457 355 D N -0.018 120.337 120.400 -0.075 0.000 2.162 355 D HA -0.010 4.625 4.640 -0.008 0.000 0.203 355 D C 2.052 178.329 176.300 -0.038 0.000 0.967 355 D CA 1.149 55.124 54.000 -0.042 0.000 0.840 355 D CB 0.043 40.815 40.800 -0.046 0.000 0.972 355 D HN 0.324 nan 8.370 nan 0.000 0.482 356 L N 0.207 121.393 121.223 -0.062 0.000 2.269 356 L HA 0.099 4.434 4.340 -0.008 0.000 0.200 356 L C 1.905 178.754 176.870 -0.034 0.000 1.069 356 L CA 0.526 55.341 54.840 -0.042 0.000 0.804 356 L CB -0.051 41.982 42.059 -0.044 0.000 0.987 356 L HN -0.184 nan 8.230 nan 0.000 0.468 357 E N 0.689 120.842 120.200 -0.080 0.000 2.435 357 E HA 0.012 4.357 4.350 -0.008 0.000 0.195 357 E C 0.128 176.717 176.600 -0.020 0.000 1.029 357 E CA 0.006 56.381 56.400 -0.042 0.000 0.865 357 E CB 0.209 29.807 29.700 -0.169 0.000 0.833 357 E HN 0.241 nan 8.360 nan 0.000 0.510 358 R N -0.000 120.475 120.500 -0.041 0.000 3.531 358 R HA -0.192 4.143 4.340 -0.008 0.000 0.280 358 R C -0.503 175.793 176.300 -0.007 0.000 1.130 358 R CA 0.255 56.348 56.100 -0.012 0.000 0.757 358 R CB -2.512 27.797 30.300 0.015 0.000 1.218 358 R HN 0.041 nan 8.270 nan 0.000 0.454 359 L N 1.725 122.920 121.223 -0.047 0.000 2.421 359 L HA 0.191 4.527 4.340 -0.008 0.000 0.263 359 L C 1.294 178.162 176.870 -0.003 0.000 1.122 359 L CA 0.018 54.840 54.840 -0.031 0.000 0.804 359 L CB 0.486 42.487 42.059 -0.096 0.000 1.150 359 L HN 0.128 nan 8.230 nan 0.000 0.457 360 D N 0.358 120.778 120.400 0.034 0.000 2.362 360 D HA -0.132 4.503 4.640 -0.008 0.000 0.242 360 D C 0.940 177.304 176.300 0.107 0.000 1.132 360 D CA -0.502 53.549 54.000 0.085 0.000 0.907 360 D CB 0.769 41.624 40.800 0.093 0.000 1.195 360 D HN 0.603 nan 8.370 nan 0.000 0.429 361 W N 2.282 123.585 121.300 0.005 0.000 2.301 361 W HA -0.254 4.401 4.660 -0.008 0.000 0.325 361 W C 1.082 177.642 176.519 0.069 0.000 1.250 361 W CA 2.040 59.393 57.345 0.015 0.000 1.261 361 W CB -0.404 29.044 29.460 -0.020 0.000 1.157 361 W HN 0.462 nan 8.180 nan 0.000 0.473 362 D N 0.243 120.853 120.400 0.350 0.000 2.158 362 D HA -0.206 4.429 4.640 -0.008 0.000 0.197 362 D C 2.046 178.446 176.300 0.168 0.000 0.995 362 D CA 1.542 55.714 54.000 0.286 0.000 0.846 362 D CB -0.449 40.487 40.800 0.227 0.000 0.941 362 D HN 0.052 nan 8.370 nan 0.000 0.456 363 K N 0.813 121.269 120.400 0.094 0.000 2.062 363 K HA 0.048 4.363 4.320 -0.008 0.000 0.205 363 K C 1.938 178.528 176.600 -0.017 0.000 1.051 363 K CA 0.974 57.290 56.287 0.048 0.000 0.941 363 K CB -0.412 32.112 32.500 0.040 0.000 0.719 363 K HN 0.044 nan 8.250 nan 0.000 0.440 364 A N 0.789 123.554 122.820 -0.092 0.000 1.908 364 A HA -0.194 4.121 4.320 -0.008 0.000 0.218 364 A C 2.173 179.657 177.584 -0.167 0.000 1.181 364 A CA 1.383 53.295 52.037 -0.209 0.000 0.627 364 A CB -1.051 17.752 19.000 -0.328 0.000 0.818 364 A HN 0.652 nan 8.150 nan 0.000 0.445 365 W N 0.602 121.688 121.300 -0.357 0.000 2.381 365 W HA -0.153 4.502 4.660 -0.008 0.000 0.301 365 W C 1.971 178.430 176.519 -0.099 0.000 1.205 365 W CA 1.735 58.925 57.345 -0.258 0.000 1.285 365 W CB -0.084 29.269 29.460 -0.177 0.000 1.133 365 W HN 0.604 nan 8.180 nan 0.000 0.521 366 E N 0.112 120.307 120.200 -0.008 0.000 2.051 366 E HA -0.223 4.122 4.350 -0.008 0.000 0.192 366 E C 2.058 178.582 176.600 -0.126 0.000 0.991 366 E CA 1.856 58.216 56.400 -0.067 0.000 0.799 366 E CB -0.298 29.417 29.700 0.026 0.000 0.748 366 E HN 0.053 nan 8.360 nan 0.000 0.449 367 V N 0.722 120.575 119.914 -0.100 0.000 2.295 367 V HA -0.257 3.858 4.120 -0.008 0.000 0.246 367 V C 2.391 178.417 176.094 -0.114 0.000 1.049 367 V CA 2.180 64.437 62.300 -0.072 0.000 1.024 367 V CB -0.738 31.031 31.823 -0.089 0.000 0.648 367 V HN 0.382 nan 8.190 nan 0.000 0.447 368 T N 0.031 114.447 114.554 -0.231 0.000 2.652 368 T HA -0.184 4.161 4.350 -0.008 0.000 0.267 368 T C 1.947 176.464 174.700 -0.305 0.000 1.039 368 T CA 1.791 63.729 62.100 -0.271 0.000 1.153 368 T CB -0.306 68.345 68.868 -0.361 0.000 0.863 368 T HN 0.280 nan 8.240 nan 0.000 0.428 369 V N 1.519 121.134 119.914 -0.498 0.000 2.343 369 V HA -0.181 3.934 4.120 -0.008 0.000 0.247 369 V C 2.353 178.399 176.094 -0.080 0.000 1.051 369 V CA 1.628 63.695 62.300 -0.388 0.000 1.036 369 V CB -0.513 31.012 31.823 -0.497 0.000 0.654 369 V HN 0.491 nan 8.190 nan 0.000 0.451 370 K N 0.002 120.341 120.400 -0.103 0.000 2.283 370 K HA -0.111 4.204 4.320 -0.008 0.000 0.202 370 K C 2.161 178.734 176.600 -0.044 0.000 1.048 370 K CA 1.625 57.841 56.287 -0.119 0.000 0.948 370 K CB -0.238 32.191 32.500 -0.118 0.000 0.742 370 K HN 0.665 nan 8.250 nan 0.000 0.458 371 T N -1.784 112.803 114.554 0.055 0.000 3.037 371 T HA 0.066 4.411 4.350 -0.008 0.000 0.252 371 T C 0.819 175.628 174.700 0.182 0.000 1.073 371 T CA -0.233 61.934 62.100 0.111 0.000 1.091 371 T CB -0.071 68.880 68.868 0.138 0.000 0.935 371 T HN 0.029 nan 8.240 nan 0.000 0.488 372 C N 2.564 121.955 119.300 0.152 0.000 2.401 372 C HA 0.912 5.367 4.460 -0.008 0.000 0.365 372 C C 0.589 175.637 174.990 0.097 0.000 1.250 372 C CA -0.811 58.276 59.018 0.114 0.000 2.131 372 C CB 0.186 27.931 27.740 0.009 0.000 2.445 372 C HN 0.754 nan 8.230 nan 0.000 0.550 373 A N 2.276 125.150 122.820 0.090 0.000 2.449 373 A HA 0.731 5.046 4.320 -0.008 0.000 0.302 373 A C -1.503 176.161 177.584 0.132 0.000 1.048 373 A CA -0.406 51.633 52.037 0.003 0.000 0.708 373 A CB 0.963 19.996 19.000 0.054 0.000 1.274 373 A HN 0.934 nan 8.150 nan 0.000 0.410 374 Y N 1.318 121.573 120.300 -0.076 0.000 2.364 374 Y HA 0.647 5.192 4.550 -0.008 0.000 0.340 374 Y C -0.470 175.424 175.900 -0.009 0.000 0.975 374 Y CA -0.290 57.785 58.100 -0.042 0.000 1.089 374 Y CB 2.010 40.403 38.460 -0.113 0.000 1.192 374 Y HN 0.557 nan 8.280 nan 0.000 0.454 375 T N 6.664 121.025 114.554 -0.321 0.000 2.770 375 T HA 0.182 4.527 4.350 -0.008 0.000 0.283 375 T C -0.821 173.447 174.700 -0.720 0.000 0.988 375 T CA -0.817 61.029 62.100 -0.424 0.000 0.957 375 T CB 0.389 69.248 68.868 -0.016 0.000 0.930 375 T HN 0.661 nan 8.240 nan 0.000 0.443 376 N N 1.982 120.236 118.700 -0.742 0.000 2.479 376 N HA 0.122 4.857 4.740 -0.008 0.000 0.285 376 N C -0.074 175.310 175.510 -0.209 0.000 1.075 376 N CA -0.304 52.539 53.050 -0.344 0.000 0.967 376 N CB 0.749 39.203 38.487 -0.054 0.000 1.137 376 N HN 0.674 nan 8.380 nan 0.000 0.472 377 H N 1.270 120.368 119.070 0.046 0.000 2.674 377 H HA 0.193 4.744 4.556 -0.008 0.000 0.274 377 H C -0.290 174.968 175.328 -0.117 0.000 1.121 377 H CA -0.111 55.918 56.048 -0.032 0.000 1.132 377 H CB 0.983 30.729 29.762 -0.028 0.000 1.606 377 H HN 0.536 nan 8.280 nan 0.000 0.558 378 T N 0.182 114.764 114.554 0.048 0.000 2.831 378 T HA 0.183 4.528 4.350 -0.008 0.000 0.333 378 T C 0.222 174.947 174.700 0.041 0.000 1.684 378 T CA -0.322 61.760 62.100 -0.031 0.000 1.049 378 T CB 1.112 69.962 68.868 -0.030 0.000 1.518 378 T HN -0.024 nan 8.240 nan 0.000 0.491 379 V N 1.147 121.047 119.914 -0.023 0.000 3.477 379 V HA 0.589 4.704 4.120 -0.008 0.000 0.297 379 V C 0.777 176.835 176.094 -0.059 0.000 1.433 379 V CA -0.050 62.222 62.300 -0.045 0.000 1.052 379 V CB -0.306 31.491 31.823 -0.043 0.000 0.895 379 V HN 0.773 nan 8.190 nan 0.000 0.438 380 I N 4.169 124.692 120.570 -0.077 0.000 2.662 380 I HA 0.137 4.302 4.170 -0.008 0.000 0.285 380 I C -0.350 175.767 176.117 0.001 0.000 1.161 380 I CA -1.084 60.191 61.300 -0.042 0.000 1.415 380 I CB 1.302 39.246 38.000 -0.093 0.000 1.385 380 I HN 0.148 nan 8.210 nan 0.000 0.552 381 P HA -0.245 nan 4.420 nan 0.000 0.216 381 P C 0.942 178.251 177.300 0.014 0.000 1.153 381 P CA 1.535 64.641 63.100 0.012 0.000 0.858 381 P CB -0.039 31.673 31.700 0.021 0.000 0.789 382 E N 0.104 120.343 120.200 0.065 0.000 2.478 382 E HA -0.015 4.330 4.350 -0.008 0.000 0.198 382 E C 1.585 178.173 176.600 -0.021 0.000 1.046 382 E CA 0.946 57.375 56.400 0.047 0.000 0.870 382 E CB -0.618 29.211 29.700 0.216 0.000 0.818 382 E HN 0.229 nan 8.360 nan 0.000 0.527 383 A N 1.112 123.950 122.820 0.030 0.000 2.169 383 A HA 0.253 4.568 4.320 -0.008 0.000 0.210 383 A C 1.252 178.827 177.584 -0.015 0.000 1.168 383 A CA -0.339 51.727 52.037 0.047 0.000 0.813 383 A CB 0.008 19.059 19.000 0.085 0.000 0.861 383 A HN 0.142 nan 8.150 nan 0.000 0.481 384 L N 1.603 122.773 121.223 -0.088 0.000 2.367 384 L HA 0.156 4.491 4.340 -0.008 0.000 0.275 384 L C -0.117 176.430 176.870 -0.538 0.000 1.129 384 L CA -0.190 54.538 54.840 -0.186 0.000 0.839 384 L CB 0.626 42.611 42.059 -0.124 0.000 1.133 384 L HN 0.321 nan 8.230 nan 0.000 0.453 385 E N 4.454 124.240 120.200 -0.690 0.000 2.223 385 E HA 0.248 4.593 4.350 -0.008 0.000 0.282 385 E C -0.649 175.344 176.600 -1.012 0.000 1.046 385 E CA -0.223 55.314 56.400 -1.439 0.000 0.857 385 E CB 0.741 29.932 29.700 -0.849 0.000 1.055 385 E HN 0.420 nan 8.360 nan 0.000 0.409 386 R N 3.879 123.667 120.500 -1.186 0.000 2.545 386 R HA 0.184 4.519 4.340 -0.008 0.000 0.289 386 R C -1.235 174.899 176.300 -0.278 0.000 1.327 386 R CA -0.594 55.224 56.100 -0.471 0.000 1.040 386 R CB 0.817 30.957 30.300 -0.268 0.000 1.176 386 R HN 0.456 nan 8.270 nan 0.000 0.518 387 W N 4.106 125.362 121.300 -0.073 0.000 2.287 387 W HA 0.261 4.916 4.660 -0.008 0.000 0.313 387 W C -1.927 174.567 176.519 -0.041 0.000 1.267 387 W CA -2.029 55.333 57.345 0.029 0.000 1.201 387 W CB 0.640 30.096 29.460 -0.007 0.000 1.196 387 W HN 0.231 nan 8.180 nan 0.000 0.536 388 P HA -0.078 nan 4.420 nan 0.000 0.267 388 P C 0.795 178.022 177.300 -0.121 0.000 1.205 388 P CA 0.180 63.249 63.100 -0.052 0.000 0.765 388 P CB 0.785 32.307 31.700 -0.297 0.000 0.828 389 V N 3.389 123.280 119.914 -0.039 0.000 2.332 389 V HA -0.293 3.822 4.120 -0.008 0.000 0.248 389 V C 2.119 178.209 176.094 -0.008 0.000 1.055 389 V CA 2.558 64.858 62.300 0.001 0.000 1.038 389 V CB -1.726 30.160 31.823 0.106 0.000 0.651 389 V HN 0.766 nan 8.190 nan 0.000 0.450 390 H N -0.980 118.147 119.070 0.096 0.000 2.489 390 H HA -0.108 4.443 4.556 -0.008 0.000 0.293 390 H C 1.964 177.339 175.328 0.078 0.000 1.066 390 H CA 1.687 57.787 56.048 0.085 0.000 1.305 390 H CB -0.578 29.236 29.762 0.086 0.000 1.386 390 H HN 0.379 nan 8.280 nan 0.000 0.551 391 L N -0.150 120.962 121.223 -0.185 0.000 2.049 391 L HA -0.052 4.283 4.340 -0.008 0.000 0.203 391 L C 2.389 179.222 176.870 -0.062 0.000 1.074 391 L CA 0.876 55.692 54.840 -0.040 0.000 0.749 391 L CB -0.218 41.798 42.059 -0.072 0.000 0.907 391 L HN 0.313 nan 8.230 nan 0.000 0.439 392 L N -0.468 120.685 121.223 -0.117 0.000 2.046 392 L HA -0.254 4.081 4.340 -0.008 0.000 0.208 392 L C 2.493 179.300 176.870 -0.105 0.000 1.077 392 L CA 1.285 56.026 54.840 -0.165 0.000 0.747 392 L CB -0.500 41.449 42.059 -0.184 0.000 0.896 392 L HN 0.345 nan 8.230 nan 0.000 0.432 393 E N -0.293 119.887 120.200 -0.033 0.000 2.097 393 E HA -0.233 4.112 4.350 -0.008 0.000 0.196 393 E C 1.916 178.549 176.600 0.055 0.000 1.000 393 E CA 2.008 58.421 56.400 0.021 0.000 0.804 393 E CB 0.121 29.873 29.700 0.087 0.000 0.740 393 E HN 0.413 nan 8.360 nan 0.000 0.454 394 T N 0.469 115.078 114.554 0.092 0.000 2.894 394 T HA -0.051 4.294 4.350 -0.008 0.000 0.258 394 T C 1.651 176.448 174.700 0.161 0.000 1.043 394 T CA 0.655 62.856 62.100 0.168 0.000 1.141 394 T CB -0.066 68.936 68.868 0.223 0.000 0.873 394 T HN 0.074 nan 8.240 nan 0.000 0.449 395 L N 0.095 121.315 121.223 -0.004 0.000 2.127 395 L HA 0.372 4.707 4.340 -0.008 0.000 0.203 395 L C 0.336 177.127 176.870 -0.132 0.000 1.080 395 L CA 1.562 56.281 54.840 -0.203 0.000 0.768 395 L CB 0.071 41.984 42.059 -0.244 0.000 0.924 395 L HN 0.158 nan 8.230 nan 0.000 0.444 396 L N 0.926 122.038 121.223 -0.185 0.000 2.551 396 L HA 0.295 4.630 4.340 -0.008 0.000 0.248 396 L C -1.657 175.033 176.870 -0.300 0.000 1.509 396 L CA -0.962 53.687 54.840 -0.320 0.000 0.842 396 L CB 0.948 42.666 42.059 -0.570 0.000 1.087 396 L HN -0.057 nan 8.230 nan 0.000 0.512 397 P HA -0.228 nan 4.420 nan 0.000 0.216 397 P C 1.445 178.553 177.300 -0.320 0.000 1.150 397 P CA 1.307 64.286 63.100 -0.200 0.000 0.843 397 P CB 0.376 32.032 31.700 -0.073 0.000 0.787 398 R N -0.377 119.750 120.500 -0.623 0.000 2.090 398 R HA -0.121 4.214 4.340 -0.008 0.000 0.228 398 R C 2.341 178.330 176.300 -0.519 0.000 1.110 398 R CA 1.481 57.217 56.100 -0.606 0.000 0.973 398 R CB -1.373 28.384 30.300 -0.906 0.000 0.869 398 R HN 0.212 nan 8.270 nan 0.000 0.440 399 H N -0.180 118.573 119.070 -0.528 0.000 2.389 399 H HA -0.042 4.509 4.556 -0.008 0.000 0.299 399 H C 1.766 176.918 175.328 -0.294 0.000 1.081 399 H CA 1.627 57.449 56.048 -0.375 0.000 1.345 399 H CB -0.065 29.439 29.762 -0.430 0.000 1.393 399 H HN 0.096 nan 8.280 nan 0.000 0.520 400 L N 0.535 121.630 121.223 -0.213 0.000 2.046 400 L HA -0.233 4.102 4.340 -0.008 0.000 0.208 400 L C 1.825 178.502 176.870 -0.321 0.000 1.077 400 L CA 1.593 56.243 54.840 -0.317 0.000 0.747 400 L CB -0.287 41.605 42.059 -0.278 0.000 0.896 400 L HN 0.453 nan 8.230 nan 0.000 0.432 401 Q N -0.282 119.438 119.800 -0.134 0.000 2.084 401 Q HA -0.233 4.102 4.340 -0.008 0.000 0.202 401 Q C 2.171 178.187 176.000 0.026 0.000 0.978 401 Q CA 1.609 57.426 55.803 0.023 0.000 0.844 401 Q CB -0.095 28.657 28.738 0.024 0.000 0.898 401 Q HN 0.561 nan 8.270 nan 0.000 0.426 402 I N 0.510 121.069 120.570 -0.019 0.000 2.315 402 I HA -0.264 3.901 4.170 -0.008 0.000 0.248 402 I C 2.179 178.359 176.117 0.105 0.000 1.117 402 I CA 1.023 62.388 61.300 0.107 0.000 1.404 402 I CB -0.171 37.844 38.000 0.025 0.000 1.071 402 I HN 0.206 nan 8.210 nan 0.000 0.419 403 I N -0.428 120.124 120.570 -0.030 0.000 2.315 403 I HA -0.307 3.858 4.170 -0.008 0.000 0.248 403 I C 2.390 178.511 176.117 0.007 0.000 1.117 403 I CA 1.402 62.673 61.300 -0.049 0.000 1.404 403 I CB -0.354 37.545 38.000 -0.169 0.000 1.071 403 I HN 0.162 nan 8.210 nan 0.000 0.419 404 Y N 0.843 121.143 120.300 0.000 0.000 2.200 404 Y HA -0.252 4.293 4.550 -0.008 0.000 0.290 404 Y C 2.587 178.449 175.900 -0.062 0.000 1.137 404 Y CA 1.437 59.525 58.100 -0.020 0.000 1.163 404 Y CB -0.729 37.713 38.460 -0.031 0.000 0.988 404 Y HN 0.185 nan 8.280 nan 0.000 0.518 405 E N 0.474 120.709 120.200 0.058 0.000 2.072 405 E HA -0.146 4.199 4.350 -0.008 0.000 0.191 405 E C 2.018 178.520 176.600 -0.164 0.000 0.985 405 E CA 1.347 57.638 56.400 -0.182 0.000 0.801 405 E CB -0.544 28.883 29.700 -0.454 0.000 0.750 405 E HN 0.478 nan 8.360 nan 0.000 0.452 406 I N 0.639 121.211 120.570 0.004 0.000 2.226 406 I HA -0.268 3.897 4.170 -0.008 0.000 0.245 406 I C 2.271 178.388 176.117 -0.001 0.000 1.100 406 I CA 1.361 62.627 61.300 -0.056 0.000 1.374 406 I CB -0.405 37.575 38.000 -0.034 0.000 1.057 406 I HN 0.211 nan 8.210 nan 0.000 0.413 407 N N 0.757 119.503 118.700 0.078 0.000 2.120 407 N HA -0.262 4.473 4.740 -0.008 0.000 0.188 407 N C 1.869 177.463 175.510 0.140 0.000 1.024 407 N CA 1.505 54.653 53.050 0.163 0.000 0.852 407 N CB -0.122 38.478 38.487 0.188 0.000 1.003 407 N HN 0.303 nan 8.380 nan 0.000 0.424 408 Q N -0.007 119.820 119.800 0.045 0.000 2.030 408 Q HA -0.120 4.215 4.340 -0.008 0.000 0.204 408 Q C 1.990 177.971 176.000 -0.032 0.000 0.986 408 Q CA 1.485 57.279 55.803 -0.016 0.000 0.843 408 Q CB 0.010 28.696 28.738 -0.087 0.000 0.904 408 Q HN 0.390 nan 8.270 nan 0.000 0.420 409 R N -0.746 119.710 120.500 -0.072 0.000 2.115 409 R HA -0.116 4.219 4.340 -0.008 0.000 0.230 409 R C 2.172 178.495 176.300 0.039 0.000 1.111 409 R CA 1.167 57.223 56.100 -0.073 0.000 0.976 409 R CB -0.348 29.850 30.300 -0.170 0.000 0.870 409 R HN 0.279 nan 8.270 nan 0.000 0.445 410 F N 1.629 121.553 119.950 -0.043 0.000 2.113 410 F HA -0.077 4.445 4.527 -0.008 0.000 0.297 410 F C 1.880 177.706 175.800 0.044 0.000 1.103 410 F CA 1.275 59.299 58.000 0.041 0.000 1.248 410 F CB -0.213 38.844 39.000 0.096 0.000 0.999 410 F HN -0.133 nan 8.300 nan 0.000 0.475 411 L N 0.024 121.265 121.223 0.029 0.000 2.191 411 L HA -0.233 4.102 4.340 -0.008 0.000 0.212 411 L C 1.981 178.788 176.870 -0.106 0.000 1.103 411 L CA 1.451 56.245 54.840 -0.076 0.000 0.769 411 L CB -0.880 41.197 42.059 0.030 0.000 0.908 411 L HN 0.268 nan 8.230 nan 0.000 0.438 412 N N -0.314 118.340 118.700 -0.077 0.000 2.244 412 N HA -0.138 4.597 4.740 -0.008 0.000 0.183 412 N C 1.906 177.359 175.510 -0.093 0.000 1.016 412 N CA 0.643 53.650 53.050 -0.073 0.000 0.866 412 N CB 0.065 38.516 38.487 -0.061 0.000 0.980 412 N HN 0.297 nan 8.380 nan 0.000 0.430 413 R N 0.497 120.920 120.500 -0.129 0.000 2.090 413 R HA -0.007 4.328 4.340 -0.008 0.000 0.228 413 R C 2.115 178.309 176.300 -0.176 0.000 1.110 413 R CA 0.689 56.708 56.100 -0.135 0.000 0.973 413 R CB -0.229 29.999 30.300 -0.120 0.000 0.869 413 R HN 0.106 nan 8.270 nan 0.000 0.440 414 V N 1.056 120.820 119.914 -0.251 0.000 2.307 414 V HA -0.208 3.907 4.120 -0.008 0.000 0.245 414 V C 2.475 178.560 176.094 -0.016 0.000 1.045 414 V CA 1.943 64.157 62.300 -0.143 0.000 1.024 414 V CB -0.681 31.003 31.823 -0.232 0.000 0.651 414 V HN 0.352 nan 8.190 nan 0.000 0.449 415 A N -0.022 122.766 122.820 -0.054 0.000 1.972 415 A HA -0.091 4.224 4.320 -0.008 0.000 0.219 415 A C 2.348 179.908 177.584 -0.041 0.000 1.169 415 A CA 2.009 54.032 52.037 -0.024 0.000 0.635 415 A CB -0.619 18.359 19.000 -0.036 0.000 0.810 415 A HN 0.575 nan 8.150 nan 0.000 0.446 416 A N -0.709 122.065 122.820 -0.077 0.000 2.016 416 A HA 0.353 4.668 4.320 -0.008 0.000 0.217 416 A C 2.303 179.792 177.584 -0.158 0.000 1.162 416 A CA 1.565 53.545 52.037 -0.095 0.000 0.662 416 A CB -0.557 18.391 19.000 -0.086 0.000 0.812 416 A HN 0.928 nan 8.150 nan 0.000 0.450 417 A N -1.709 120.967 122.820 -0.241 0.000 2.030 417 A HA 0.427 4.743 4.320 -0.008 0.000 0.215 417 A C 0.365 177.486 177.584 -0.773 0.000 1.164 417 A CA 0.443 52.163 52.037 -0.529 0.000 0.697 417 A CB -0.075 18.515 19.000 -0.684 0.000 0.827 417 A HN 0.394 nan 8.150 nan 0.000 0.457 418 F N -0.067 119.838 119.950 -0.076 0.000 2.584 418 F HA 0.344 4.866 4.527 -0.008 0.000 0.328 418 F C -2.792 172.972 175.800 -0.059 0.000 1.407 418 F CA -2.960 55.000 58.000 -0.067 0.000 1.145 418 F CB 0.628 39.581 39.000 -0.080 0.000 1.440 418 F HN -0.079 nan 8.300 nan 0.000 0.580 419 P HA 0.137 nan 4.420 nan 0.000 0.261 419 P C 1.021 178.342 177.300 0.035 0.000 1.183 419 P CA 1.265 64.378 63.100 0.022 0.000 0.761 419 P CB 0.666 32.361 31.700 -0.008 0.000 0.785 420 G N 2.746 111.559 108.800 0.022 0.000 2.212 420 G HA2 -0.256 3.699 3.960 -0.008 0.000 0.266 420 G HA3 -0.256 3.699 3.960 -0.008 0.000 0.266 420 G C 0.367 175.277 174.900 0.016 0.000 0.978 420 G CA 0.073 45.181 45.100 0.015 0.000 0.632 420 G HN 0.605 nan 8.290 nan 0.000 0.537 421 D N 1.332 121.750 120.400 0.030 0.000 2.551 421 D HA 0.379 5.014 4.640 -0.008 0.000 0.223 421 D C 2.094 178.385 176.300 -0.015 0.000 1.144 421 D CA 0.381 54.384 54.000 0.004 0.000 1.025 421 D CB 0.338 41.138 40.800 0.001 0.000 1.085 421 D HN 0.586 nan 8.370 nan 0.000 0.506 422 V N 0.492 120.399 119.914 -0.012 0.000 2.515 422 V HA -0.144 3.971 4.120 -0.008 0.000 0.250 422 V C 1.515 177.598 176.094 -0.019 0.000 1.058 422 V CA 1.203 63.496 62.300 -0.013 0.000 1.064 422 V CB -0.220 31.599 31.823 -0.007 0.000 0.675 422 V HN 0.148 nan 8.190 nan 0.000 0.461 423 D N 0.559 120.944 120.400 -0.025 0.000 2.144 423 D HA -0.147 4.488 4.640 -0.008 0.000 0.199 423 D C 2.285 178.558 176.300 -0.045 0.000 0.984 423 D CA 1.735 55.719 54.000 -0.026 0.000 0.834 423 D CB -0.292 40.490 40.800 -0.029 0.000 0.955 423 D HN 0.510 nan 8.370 nan 0.000 0.465 424 R N 0.330 120.781 120.500 -0.082 0.000 2.081 424 R HA -0.048 4.287 4.340 -0.008 0.000 0.235 424 R C 2.427 178.666 176.300 -0.102 0.000 1.131 424 R CA 0.641 56.658 56.100 -0.138 0.000 0.960 424 R CB -0.215 29.947 30.300 -0.230 0.000 0.856 424 R HN 0.165 nan 8.270 nan 0.000 0.436 425 L N 0.573 121.760 121.223 -0.059 0.000 2.042 425 L HA -0.211 4.124 4.340 -0.008 0.000 0.210 425 L C 2.622 179.501 176.870 0.015 0.000 1.076 425 L CA 1.784 56.608 54.840 -0.027 0.000 0.749 425 L CB -0.478 41.574 42.059 -0.012 0.000 0.893 425 L HN 0.265 nan 8.230 nan 0.000 0.432 426 R N 0.165 120.678 120.500 0.021 0.000 2.115 426 R HA -0.091 4.244 4.340 -0.008 0.000 0.226 426 R C 2.114 178.466 176.300 0.087 0.000 1.100 426 R CA 1.005 57.138 56.100 0.055 0.000 0.980 426 R CB -0.580 29.745 30.300 0.042 0.000 0.875 426 R HN 0.198 nan 8.270 nan 0.000 0.445 427 R N 0.142 120.676 120.500 0.056 0.000 2.090 427 R HA 0.115 4.450 4.340 -0.008 0.000 0.228 427 R C 2.050 178.439 176.300 0.149 0.000 1.110 427 R CA 1.758 57.915 56.100 0.095 0.000 0.973 427 R CB -0.228 30.088 30.300 0.027 0.000 0.869 427 R HN 0.323 nan 8.270 nan 0.000 0.440 428 M N 0.264 119.878 119.600 0.022 0.000 2.541 428 M HA 0.038 4.513 4.480 -0.008 0.000 0.252 428 M C 0.901 177.376 176.300 0.291 0.000 1.125 428 M CA 0.048 55.325 55.300 -0.039 0.000 1.091 428 M CB 0.369 32.791 32.600 -0.296 0.000 1.420 428 M HN -0.075 nan 8.290 nan 0.000 0.486 429 S N 0.951 116.822 115.700 0.285 0.000 2.563 429 S HA 0.061 4.526 4.470 -0.008 0.000 0.284 429 S C 1.105 175.958 174.600 0.423 0.000 1.331 429 S CA -0.218 58.172 58.200 0.317 0.000 1.047 429 S CB 0.588 63.914 63.200 0.211 0.000 0.859 429 S HN 0.366 nan 8.310 nan 0.000 0.514 430 L N 3.851 125.272 121.223 0.329 0.000 2.313 430 L HA 0.135 4.470 4.340 -0.008 0.000 0.214 430 L C 0.250 177.220 176.870 0.167 0.000 1.119 430 L CA 0.229 55.219 54.840 0.250 0.000 0.809 430 L CB -0.284 41.866 42.059 0.152 0.000 0.933 430 L HN 0.386 nan 8.230 nan 0.000 0.449 431 V N 0.898 120.926 119.914 0.190 0.000 2.383 431 V HA 0.150 4.265 4.120 -0.008 0.000 0.275 431 V C 0.085 176.264 176.094 0.141 0.000 1.036 431 V CA -0.501 61.900 62.300 0.170 0.000 0.889 431 V CB 1.467 33.427 31.823 0.228 0.000 0.985 431 V HN 0.164 nan 8.190 nan 0.000 0.459 432 E N 4.138 124.400 120.200 0.104 0.000 2.109 432 E HA 0.291 4.637 4.350 -0.008 0.000 0.278 432 E C -0.280 176.369 176.600 0.081 0.000 0.954 432 E CA -0.569 55.881 56.400 0.084 0.000 0.779 432 E CB 0.834 30.561 29.700 0.045 0.000 1.093 432 E HN 0.626 nan 8.360 nan 0.000 0.401 433 E N 1.941 122.187 120.200 0.077 0.000 2.342 433 E HA 0.536 4.881 4.350 -0.008 0.000 0.257 433 E C 0.356 176.991 176.600 0.058 0.000 1.150 433 E CA 0.101 56.541 56.400 0.067 0.000 0.926 433 E CB 1.575 31.309 29.700 0.058 0.000 1.074 433 E HN 0.821 nan 8.360 nan 0.000 0.449 434 G N -0.565 108.268 108.800 0.055 0.000 2.278 434 G HA2 0.100 4.055 3.960 -0.008 0.000 0.265 434 G HA3 0.100 4.055 3.960 -0.008 0.000 0.265 434 G C 0.515 175.447 174.900 0.053 0.000 1.329 434 G CA 0.387 45.517 45.100 0.049 0.000 1.017 434 G HN 0.496 nan 8.290 nan 0.000 0.472 435 A N -0.831 122.019 122.820 0.051 0.000 1.870 435 A HA 0.278 4.593 4.320 -0.008 0.000 0.219 435 A C 1.706 179.332 177.584 0.070 0.000 1.224 435 A CA 4.286 56.355 52.037 0.053 0.000 0.650 435 A CB -1.290 17.741 19.000 0.051 0.000 0.836 435 A HN 2.386 nan 8.150 nan 0.000 0.454 436 V N -3.664 116.301 119.914 0.085 0.000 2.604 436 V HA 0.572 4.687 4.120 -0.008 0.000 0.305 436 V C -0.417 175.742 176.094 0.108 0.000 1.043 436 V CA -1.366 61.005 62.300 0.119 0.000 0.888 436 V CB 1.527 33.448 31.823 0.162 0.000 0.995 436 V HN 0.342 nan 8.190 nan 0.000 0.429 437 K N 3.445 123.917 120.400 0.119 0.000 2.401 437 K HA 0.449 4.764 4.320 -0.008 0.000 0.278 437 K C -0.256 176.402 176.600 0.097 0.000 1.018 437 K CA 0.003 56.357 56.287 0.111 0.000 0.981 437 K CB 0.622 33.202 32.500 0.134 0.000 0.933 437 K HN 0.740 nan 8.250 nan 0.000 0.477 438 R N 1.929 122.477 120.500 0.081 0.000 2.808 438 R HA 0.467 4.802 4.340 -0.008 0.000 0.272 438 R C -0.806 175.525 176.300 0.052 0.000 0.995 438 R CA -1.022 55.114 56.100 0.061 0.000 0.917 438 R CB 1.330 31.650 30.300 0.034 0.000 1.217 438 R HN 0.362 nan 8.270 nan 0.000 0.471 439 I N 1.992 122.589 120.570 0.047 0.000 2.339 439 I HA 0.160 4.325 4.170 -0.008 0.000 0.290 439 I C -0.180 175.918 176.117 -0.031 0.000 0.994 439 I CA -0.743 60.571 61.300 0.024 0.000 1.191 439 I CB 1.217 39.229 38.000 0.021 0.000 1.343 439 I HN 0.508 nan 8.210 nan 0.000 0.458 440 N N 7.186 125.835 118.700 -0.086 0.000 2.402 440 N HA 0.083 4.818 4.740 -0.008 0.000 0.252 440 N C 0.841 176.248 175.510 -0.172 0.000 1.118 440 N CA -0.322 52.596 53.050 -0.220 0.000 0.945 440 N CB 0.960 39.156 38.487 -0.484 0.000 1.147 440 N HN 0.375 nan 8.380 nan 0.000 0.495 441 M N 2.472 121.981 119.600 -0.151 0.000 2.296 441 M HA -0.068 4.407 4.480 -0.008 0.000 0.265 441 M C 1.919 178.088 176.300 -0.217 0.000 1.064 441 M CA 0.704 55.933 55.300 -0.119 0.000 1.109 441 M CB -1.553 31.021 32.600 -0.043 0.000 1.396 441 M HN 0.599 nan 8.290 nan 0.000 0.430 442 A N -0.474 122.220 122.820 -0.211 0.000 1.930 442 A HA -0.163 4.152 4.320 -0.008 0.000 0.217 442 A C 1.985 179.359 177.584 -0.351 0.000 1.175 442 A CA 1.392 53.278 52.037 -0.252 0.000 0.627 442 A CB -1.090 17.982 19.000 0.119 0.000 0.815 442 A HN 0.595 nan 8.150 nan 0.000 0.443 443 H N -1.502 117.355 119.070 -0.355 0.000 2.389 443 H HA -0.093 4.458 4.556 -0.008 0.000 0.299 443 H C 2.095 177.180 175.328 -0.405 0.000 1.081 443 H CA 1.082 56.863 56.048 -0.445 0.000 1.345 443 H CB -0.008 29.712 29.762 -0.071 0.000 1.393 443 H HN 0.435 nan 8.280 nan 0.000 0.520 444 L N 0.668 121.800 121.223 -0.153 0.000 2.017 444 L HA -0.170 4.165 4.340 -0.008 0.000 0.208 444 L C 2.265 178.992 176.870 -0.239 0.000 1.073 444 L CA 1.456 56.206 54.840 -0.151 0.000 0.745 444 L CB -0.740 41.263 42.059 -0.093 0.000 0.894 444 L HN 0.287 nan 8.230 nan 0.000 0.432 445 C N -0.391 118.665 119.300 -0.406 0.000 2.429 445 C HA -0.122 4.333 4.460 -0.008 0.000 0.277 445 C C 2.714 177.432 174.990 -0.453 0.000 1.262 445 C CA 0.960 59.654 59.018 -0.540 0.000 1.733 445 C CB -0.939 26.088 27.740 -1.188 0.000 2.010 445 C HN 0.608 nan 8.230 nan 0.000 0.483 446 I N 1.341 121.594 120.570 -0.528 0.000 2.252 446 I HA -0.183 3.982 4.170 -0.008 0.000 0.245 446 I C 2.755 178.708 176.117 -0.275 0.000 1.102 446 I CA 1.593 62.633 61.300 -0.433 0.000 1.385 446 I CB -0.560 37.026 38.000 -0.691 0.000 1.064 446 I HN 0.260 nan 8.210 nan 0.000 0.414 447 A N 0.566 123.192 122.820 -0.324 0.000 1.933 447 A HA -0.096 4.219 4.320 -0.008 0.000 0.218 447 A C 2.169 179.797 177.584 0.074 0.000 1.175 447 A CA 1.862 53.758 52.037 -0.234 0.000 0.628 447 A CB -1.104 17.552 19.000 -0.574 0.000 0.814 447 A HN 0.479 nan 8.150 nan 0.000 0.444 448 G N -1.093 107.689 108.800 -0.030 0.000 3.434 448 G HA2 0.434 4.389 3.960 -0.008 0.000 0.258 448 G HA3 0.434 4.389 3.960 -0.008 0.000 0.258 448 G C 0.006 174.738 174.900 -0.280 0.000 1.128 448 G CA 0.427 45.384 45.100 -0.238 0.000 0.792 448 G HN 0.325 nan 8.290 nan 0.000 0.539 449 S N -0.399 115.191 115.700 -0.183 0.000 2.542 449 S HA 0.325 4.790 4.470 -0.008 0.000 0.293 449 S C 0.680 175.219 174.600 -0.101 0.000 1.089 449 S CA -0.728 57.392 58.200 -0.134 0.000 0.961 449 S CB 1.277 64.406 63.200 -0.119 0.000 1.062 449 S HN 0.503 nan 8.310 nan 0.000 0.483 450 H N -0.125 118.902 119.070 -0.071 0.000 2.548 450 H HA 0.520 5.071 4.556 -0.008 0.000 0.265 450 H C 0.110 175.413 175.328 -0.041 0.000 0.969 450 H CA 0.249 56.278 56.048 -0.032 0.000 1.155 450 H CB 0.143 29.906 29.762 0.001 0.000 1.394 450 H HN 0.511 nan 8.280 nan 0.000 0.570 451 A N 0.876 123.389 122.820 -0.512 0.000 2.520 451 A HA 0.558 4.873 4.320 -0.008 0.000 0.298 451 A C -1.470 175.912 177.584 -0.338 0.000 1.051 451 A CA -0.569 51.224 52.037 -0.407 0.000 0.690 451 A CB 2.194 20.928 19.000 -0.444 0.000 1.281 451 A HN 0.093 nan 8.150 nan 0.000 0.402 452 V N 4.022 123.703 119.914 -0.388 0.000 2.577 452 V HA 0.560 4.675 4.120 -0.008 0.000 0.303 452 V C -0.790 175.126 176.094 -0.296 0.000 1.042 452 V CA -0.755 61.320 62.300 -0.375 0.000 0.872 452 V CB 1.838 33.296 31.823 -0.608 0.000 0.998 452 V HN 1.033 nan 8.190 nan 0.000 0.423 453 N N 2.988 121.536 118.700 -0.253 0.000 2.262 453 N HA 0.626 5.361 4.740 -0.008 0.000 0.295 453 N C -0.307 175.107 175.510 -0.160 0.000 1.161 453 N CA -0.384 52.557 53.050 -0.181 0.000 0.767 453 N CB 2.884 41.236 38.487 -0.225 0.000 1.499 453 N HN 0.645 nan 8.380 nan 0.000 0.476 454 G N -0.864 107.877 108.800 -0.099 0.000 2.511 454 G HA2 0.433 4.388 3.960 -0.008 0.000 0.316 454 G HA3 0.433 4.388 3.960 -0.008 0.000 0.316 454 G C 0.717 175.674 174.900 0.095 0.000 1.210 454 G CA -0.528 44.558 45.100 -0.023 0.000 0.969 454 G HN 0.629 nan 8.290 nan 0.000 0.492 455 V N -3.559 116.530 119.914 0.293 0.000 3.319 455 V HA 0.693 4.808 4.120 -0.008 0.000 0.317 455 V C 0.546 176.720 176.094 0.133 0.000 1.411 455 V CA 0.298 62.683 62.300 0.140 0.000 1.112 455 V CB -0.782 31.079 31.823 0.064 0.000 1.031 455 V HN 1.320 nan 8.190 nan 0.000 0.448 456 A N -0.032 122.877 122.820 0.148 0.000 2.594 456 A HA 0.631 4.946 4.320 -0.008 0.000 0.296 456 A C 0.700 178.334 177.584 0.082 0.000 1.061 456 A CA -0.119 51.984 52.037 0.109 0.000 0.689 456 A CB 1.251 20.306 19.000 0.091 0.000 1.280 456 A HN 0.046 nan 8.150 nan 0.000 0.406 457 R N 1.067 121.595 120.500 0.047 0.000 2.096 457 R HA -0.171 4.164 4.340 -0.008 0.000 0.240 457 R C 1.637 177.937 176.300 -0.001 0.000 1.139 457 R CA 2.346 58.452 56.100 0.010 0.000 0.952 457 R CB -0.237 30.064 30.300 0.001 0.000 0.854 457 R HN 0.831 nan 8.270 nan 0.000 0.436 458 I N 0.252 120.831 120.570 0.014 0.000 2.286 458 I HA -0.286 3.879 4.170 -0.008 0.000 0.248 458 I C 2.328 178.456 176.117 0.017 0.000 1.115 458 I CA 1.822 63.123 61.300 0.001 0.000 1.392 458 I CB -0.221 37.779 38.000 0.001 0.000 1.065 458 I HN 0.357 nan 8.210 nan 0.000 0.418 459 H N 0.251 119.291 119.070 -0.051 0.000 2.326 459 H HA -0.106 4.445 4.556 -0.008 0.000 0.301 459 H C 2.263 177.550 175.328 -0.067 0.000 1.081 459 H CA 2.151 58.162 56.048 -0.062 0.000 1.334 459 H CB -0.255 29.476 29.762 -0.052 0.000 1.385 459 H HN 0.226 nan 8.280 nan 0.000 0.504 460 S N 0.333 115.917 115.700 -0.193 0.000 2.399 460 S HA -0.120 4.345 4.470 -0.008 0.000 0.231 460 S C 1.869 176.344 174.600 -0.209 0.000 1.022 460 S CA 1.186 59.246 58.200 -0.234 0.000 0.983 460 S CB -0.063 63.073 63.200 -0.106 0.000 0.803 460 S HN 0.484 nan 8.310 nan 0.000 0.480 461 E N 1.136 121.238 120.200 -0.163 0.000 2.072 461 E HA 0.028 4.373 4.350 -0.008 0.000 0.190 461 E C 2.012 178.497 176.600 -0.191 0.000 0.982 461 E CA 0.578 56.874 56.400 -0.173 0.000 0.803 461 E CB -0.330 29.300 29.700 -0.117 0.000 0.755 461 E HN 0.504 nan 8.360 nan 0.000 0.453 462 I N 1.006 121.475 120.570 -0.167 0.000 2.286 462 I HA -0.270 3.895 4.170 -0.008 0.000 0.248 462 I C 2.379 178.365 176.117 -0.218 0.000 1.115 462 I CA 0.787 61.993 61.300 -0.157 0.000 1.392 462 I CB -0.220 37.719 38.000 -0.102 0.000 1.065 462 I HN 0.065 nan 8.210 nan 0.000 0.418 463 L N 0.373 121.421 121.223 -0.291 0.000 2.046 463 L HA -0.224 4.111 4.340 -0.008 0.000 0.208 463 L C 2.448 179.185 176.870 -0.222 0.000 1.077 463 L CA 1.559 56.223 54.840 -0.294 0.000 0.747 463 L CB -0.529 41.406 42.059 -0.208 0.000 0.896 463 L HN 0.209 nan 8.230 nan 0.000 0.432 464 K N -0.119 120.089 120.400 -0.320 0.000 2.228 464 K HA -0.083 4.232 4.320 -0.008 0.000 0.202 464 K C 1.934 178.346 176.600 -0.312 0.000 1.051 464 K CA 0.798 56.781 56.287 -0.508 0.000 0.960 464 K CB 0.113 32.075 32.500 -0.897 0.000 0.743 464 K HN 0.264 nan 8.250 nan 0.000 0.458 465 K N 0.018 120.286 120.400 -0.221 0.000 2.323 465 K HA -0.006 4.309 4.320 -0.008 0.000 0.197 465 K C 1.698 178.247 176.600 -0.085 0.000 1.043 465 K CA 1.194 57.403 56.287 -0.130 0.000 0.997 465 K CB 0.598 33.029 32.500 -0.114 0.000 0.807 465 K HN 0.247 nan 8.250 nan 0.000 0.497 466 T N -1.515 112.979 114.554 -0.099 0.000 3.216 466 T HA 0.064 4.409 4.350 -0.008 0.000 0.167 466 T C 1.621 176.289 174.700 -0.052 0.000 0.905 466 T CA -0.382 61.676 62.100 -0.070 0.000 1.042 466 T CB -0.677 68.142 68.868 -0.082 0.000 1.787 466 T HN -0.105 nan 8.240 nan 0.000 0.355 467 I N 1.255 121.743 120.570 -0.138 0.000 2.143 467 I HA -0.037 4.128 4.170 -0.008 0.000 0.245 467 I C 1.220 177.366 176.117 0.048 0.000 1.068 467 I CA 1.699 62.887 61.300 -0.186 0.000 1.326 467 I CB -0.354 37.318 38.000 -0.546 0.000 1.028 467 I HN 0.529 nan 8.210 nan 0.000 0.412 468 F N -0.676 119.342 119.950 0.113 0.000 2.708 468 F HA 0.188 4.710 4.527 -0.008 0.000 0.300 468 F C 1.855 177.733 175.800 0.131 0.000 1.118 468 F CA -0.509 57.629 58.000 0.230 0.000 1.307 468 F CB -0.081 39.047 39.000 0.213 0.000 0.986 468 F HN -0.077 nan 8.300 nan 0.000 0.522 469 K N 1.095 121.610 120.400 0.193 0.000 2.044 469 K HA -0.220 4.095 4.320 -0.008 0.000 0.210 469 K C 1.372 178.024 176.600 0.088 0.000 1.049 469 K CA 2.213 58.552 56.287 0.086 0.000 0.927 469 K CB -0.018 32.500 32.500 0.030 0.000 0.713 469 K HN 0.165 nan 8.250 nan 0.000 0.443 470 D N -0.150 120.273 120.400 0.038 0.000 2.123 470 D HA -0.166 4.469 4.640 -0.008 0.000 0.196 470 D C 1.841 178.050 176.300 -0.152 0.000 0.992 470 D CA 1.269 55.167 54.000 -0.170 0.000 0.833 470 D CB -0.287 40.302 40.800 -0.351 0.000 0.954 470 D HN 0.245 nan 8.370 nan 0.000 0.455 471 F N -0.081 119.944 119.950 0.124 0.000 2.186 471 F HA -0.148 4.374 4.527 -0.008 0.000 0.299 471 F C 2.354 178.309 175.800 0.259 0.000 1.090 471 F CA 0.527 58.675 58.000 0.247 0.000 1.307 471 F CB -0.699 38.497 39.000 0.327 0.000 1.019 471 F HN -0.029 nan 8.300 nan 0.000 0.489 472 Y N 1.278 121.570 120.300 -0.013 0.000 2.224 472 Y HA -0.182 4.363 4.550 -0.008 0.000 0.289 472 Y C 2.107 178.013 175.900 0.010 0.000 1.146 472 Y CA 1.555 59.480 58.100 -0.293 0.000 1.182 472 Y CB -0.606 37.483 38.460 -0.617 0.000 0.983 472 Y HN 0.137 nan 8.280 nan 0.000 0.524 473 E N -0.525 119.642 120.200 -0.055 0.000 2.150 473 E HA -0.171 4.174 4.350 -0.008 0.000 0.193 473 E C 1.928 178.593 176.600 0.107 0.000 0.985 473 E CA 1.079 57.451 56.400 -0.046 0.000 0.814 473 E CB -0.188 29.519 29.700 0.011 0.000 0.752 473 E HN 0.438 nan 8.360 nan 0.000 0.466 474 L N 0.808 122.134 121.223 0.172 0.000 2.127 474 L HA -0.006 4.329 4.340 -0.008 0.000 0.203 474 L C 0.179 177.149 176.870 0.166 0.000 1.080 474 L CA 1.599 56.572 54.840 0.222 0.000 0.768 474 L CB 0.455 42.647 42.059 0.221 0.000 0.924 474 L HN -0.132 nan 8.230 nan 0.000 0.444 475 E N 0.192 120.498 120.200 0.177 0.000 3.386 475 E HA 0.185 4.530 4.350 -0.008 0.000 0.236 475 E C -1.993 174.601 176.600 -0.011 0.000 1.227 475 E CA -1.263 55.182 56.400 0.075 0.000 0.970 475 E CB 0.775 30.491 29.700 0.026 0.000 1.343 475 E HN 0.204 nan 8.360 nan 0.000 0.397 476 P HA -0.260 nan 4.420 nan 0.000 0.217 476 P C 1.203 178.615 177.300 0.187 0.000 1.148 476 P CA 1.452 64.494 63.100 -0.096 0.000 0.828 476 P CB -0.025 31.485 31.700 -0.316 0.000 0.783 477 H N 0.314 119.481 119.070 0.162 0.000 2.489 477 H HA 0.041 4.592 4.556 -0.008 0.000 0.293 477 H C 1.490 176.900 175.328 0.136 0.000 1.066 477 H CA 0.876 57.009 56.048 0.141 0.000 1.305 477 H CB -0.775 29.043 29.762 0.092 0.000 1.386 477 H HN 0.175 nan 8.280 nan 0.000 0.551 478 K N 0.280 120.511 120.400 -0.282 0.000 2.217 478 K HA 0.031 4.346 4.320 -0.008 0.000 0.202 478 K C -0.066 176.356 176.600 -0.296 0.000 1.051 478 K CA 0.247 56.361 56.287 -0.289 0.000 0.952 478 K CB 0.059 32.269 32.500 -0.483 0.000 0.736 478 K HN 0.100 nan 8.250 nan 0.000 0.453 479 F N 1.943 121.917 119.950 0.040 0.000 2.438 479 F HA 0.135 4.657 4.527 -0.009 0.000 0.356 479 F C 0.565 176.370 175.800 0.008 0.000 1.099 479 F CA 0.032 58.064 58.000 0.052 0.000 1.185 479 F CB 0.772 39.865 39.000 0.155 0.000 1.115 479 F HN -0.073 nan 8.300 nan 0.000 0.526 480 Q N 1.746 121.575 119.800 0.049 0.000 2.605 480 Q HA 0.373 4.708 4.340 -0.008 0.000 0.296 480 Q C -1.194 174.766 176.000 -0.066 0.000 1.056 480 Q CA -1.280 54.507 55.803 -0.028 0.000 0.778 480 Q CB 3.081 31.748 28.738 -0.117 0.000 1.497 480 Q HN 0.633 nan 8.270 nan 0.000 0.443 481 N N 0.541 119.180 118.700 -0.101 0.000 2.238 481 N HA 0.303 5.038 4.740 -0.008 0.000 0.302 481 N C -1.547 173.860 175.510 -0.171 0.000 1.072 481 N CA -0.407 52.581 53.050 -0.104 0.000 0.792 481 N CB 1.168 39.617 38.487 -0.063 0.000 1.425 481 N HN 0.285 nan 8.380 nan 0.000 0.478 482 K N 2.650 122.952 120.400 -0.163 0.000 2.803 482 K HA 0.173 4.488 4.320 -0.008 0.000 0.229 482 K C -1.039 175.564 176.600 0.005 0.000 1.084 482 K CA -0.468 55.692 56.287 -0.211 0.000 1.063 482 K CB 1.176 33.309 32.500 -0.611 0.000 1.254 482 K HN 0.553 nan 8.250 nan 0.000 0.551 483 T N 2.043 116.619 114.554 0.036 0.000 2.902 483 T HA 0.051 4.396 4.350 -0.008 0.000 0.301 483 T C 0.826 175.653 174.700 0.211 0.000 1.012 483 T CA 0.403 62.577 62.100 0.123 0.000 1.151 483 T CB 0.277 69.217 68.868 0.120 0.000 0.946 483 T HN 0.349 nan 8.240 nan 0.000 0.542 484 N N 0.618 119.467 118.700 0.248 0.000 2.267 484 N HA 0.391 5.126 4.740 -0.008 0.000 0.226 484 N C 0.480 176.179 175.510 0.315 0.000 1.314 484 N CA -0.117 53.115 53.050 0.304 0.000 0.887 484 N CB 0.363 38.968 38.487 0.197 0.000 1.120 484 N HN 0.762 nan 8.380 nan 0.000 0.440 485 G N -0.725 108.267 108.800 0.321 0.000 2.649 485 G HA2 0.586 4.541 3.960 -0.008 0.000 0.290 485 G HA3 0.586 4.541 3.960 -0.008 0.000 0.290 485 G C -1.449 173.586 174.900 0.226 0.000 1.426 485 G CA -0.739 44.536 45.100 0.292 0.000 0.794 485 G HN 0.595 nan 8.290 nan 0.000 0.483 486 I N -2.293 118.397 120.570 0.200 0.000 2.828 486 I HA 0.749 4.914 4.170 -0.008 0.000 0.302 486 I C -0.254 176.024 176.117 0.269 0.000 1.101 486 I CA -0.955 60.458 61.300 0.188 0.000 1.031 486 I CB 2.438 40.447 38.000 0.015 0.000 1.231 486 I HN 0.501 nan 8.210 nan 0.000 0.427 487 T N 4.325 119.088 114.554 0.349 0.000 2.794 487 T HA 0.345 4.690 4.350 -0.008 0.000 0.296 487 T C -1.333 173.482 174.700 0.193 0.000 0.949 487 T CA -1.622 60.606 62.100 0.214 0.000 1.101 487 T CB 0.777 69.716 68.868 0.118 0.000 0.905 487 T HN 0.644 nan 8.240 nan 0.000 0.516 488 P HA 0.019 nan 4.420 nan 0.000 0.230 488 P C 1.062 178.331 177.300 -0.051 0.000 1.158 488 P CA 0.359 63.496 63.100 0.063 0.000 0.769 488 P CB 0.390 32.113 31.700 0.038 0.000 0.807 489 R N 0.496 120.919 120.500 -0.129 0.000 2.056 489 R HA 0.013 4.348 4.340 -0.008 0.000 0.227 489 R C 2.732 178.911 176.300 -0.202 0.000 1.149 489 R CA 1.545 57.524 56.100 -0.201 0.000 0.937 489 R CB -1.234 28.949 30.300 -0.195 0.000 0.835 489 R HN 0.046 nan 8.270 nan 0.000 0.430 490 R N -0.755 119.568 120.500 -0.296 0.000 2.075 490 R HA -0.117 4.218 4.340 -0.008 0.000 0.232 490 R C 1.113 177.047 176.300 -0.609 0.000 1.126 490 R CA 1.599 57.373 56.100 -0.544 0.000 0.963 490 R CB -0.190 29.605 30.300 -0.841 0.000 0.858 490 R HN 0.293 nan 8.270 nan 0.000 0.435 491 W N -0.067 121.190 121.300 -0.072 0.000 3.405 491 W HA 0.129 4.783 4.660 -0.009 0.000 0.300 491 W C 0.986 177.474 176.519 -0.052 0.000 1.286 491 W CA -0.636 56.666 57.345 -0.072 0.000 1.762 491 W CB 0.359 29.780 29.460 -0.065 0.000 1.087 491 W HN 0.240 nan 8.180 nan 0.000 0.703 492 L N -2.391 118.880 121.223 0.080 0.000 2.604 492 L HA 0.171 4.506 4.340 -0.008 0.000 0.150 492 L C 1.775 178.660 176.870 0.026 0.000 1.292 492 L CA 0.736 55.624 54.840 0.080 0.000 0.977 492 L CB -0.878 41.256 42.059 0.125 0.000 1.943 492 L HN -0.258 nan 8.230 nan 0.000 0.508 493 V N 1.287 121.195 119.914 -0.010 0.000 2.287 493 V HA -0.290 3.825 4.120 -0.008 0.000 0.248 493 V C 2.461 178.527 176.094 -0.047 0.000 1.053 493 V CA 2.555 64.839 62.300 -0.027 0.000 1.027 493 V CB -0.748 31.027 31.823 -0.080 0.000 0.646 493 V HN 0.525 nan 8.190 nan 0.000 0.447 494 L N 0.507 121.673 121.223 -0.096 0.000 2.005 494 L HA -0.195 4.140 4.340 -0.008 0.000 0.207 494 L C 2.528 179.334 176.870 -0.107 0.000 1.072 494 L CA 2.465 57.233 54.840 -0.120 0.000 0.744 494 L CB -0.302 41.636 42.059 -0.202 0.000 0.895 494 L HN 0.665 nan 8.230 nan 0.000 0.433 495 C N -1.641 117.588 119.300 -0.118 0.000 2.514 495 C HA 0.170 4.625 4.460 -0.008 0.000 0.271 495 C C 1.215 176.187 174.990 -0.030 0.000 1.399 495 C CA -0.235 58.733 59.018 -0.083 0.000 1.765 495 C CB -1.074 26.617 27.740 -0.082 0.000 1.893 495 C HN 0.604 nan 8.230 nan 0.000 0.531 496 N N 1.163 119.856 118.700 -0.010 0.000 2.733 496 N HA 0.278 5.013 4.740 -0.008 0.000 0.271 496 N C -1.670 173.851 175.510 0.019 0.000 1.720 496 N CA -1.646 51.410 53.050 0.009 0.000 0.803 496 N CB 0.745 39.247 38.487 0.024 0.000 1.208 496 N HN 0.251 nan 8.380 nan 0.000 0.498 497 P HA -0.070 nan 4.420 nan 0.000 0.216 497 P C 1.401 178.718 177.300 0.028 0.000 1.150 497 P CA 0.976 64.088 63.100 0.019 0.000 0.837 497 P CB 0.226 31.930 31.700 0.007 0.000 0.786 498 G N 0.620 109.432 108.800 0.019 0.000 2.440 498 G HA2 -0.254 3.701 3.960 -0.008 0.000 0.218 498 G HA3 -0.254 3.701 3.960 -0.008 0.000 0.218 498 G C 1.542 176.454 174.900 0.019 0.000 1.154 498 G CA 0.745 45.855 45.100 0.016 0.000 0.767 498 G HN 0.263 nan 8.290 nan 0.000 0.552 499 L N 1.139 122.375 121.223 0.022 0.000 2.072 499 L HA 0.318 4.653 4.340 -0.008 0.000 0.205 499 L C 3.031 179.936 176.870 0.058 0.000 1.079 499 L CA 1.922 56.776 54.840 0.023 0.000 0.752 499 L CB -0.670 41.401 42.059 0.020 0.000 0.906 499 L HN 0.217 nan 8.230 nan 0.000 0.436 500 A N -0.802 122.074 122.820 0.092 0.000 1.972 500 A HA -0.232 4.083 4.320 -0.008 0.000 0.219 500 A C 2.219 179.903 177.584 0.167 0.000 1.169 500 A CA 1.740 53.885 52.037 0.180 0.000 0.635 500 A CB -0.595 18.504 19.000 0.165 0.000 0.810 500 A HN 0.533 nan 8.150 nan 0.000 0.446 501 E N 0.758 121.016 120.200 0.097 0.000 2.028 501 E HA -0.149 4.196 4.350 -0.008 0.000 0.191 501 E C 1.857 178.499 176.600 0.069 0.000 0.988 501 E CA 1.577 58.024 56.400 0.077 0.000 0.799 501 E CB -0.512 29.215 29.700 0.046 0.000 0.755 501 E HN 0.729 nan 8.360 nan 0.000 0.447 502 I N -1.650 118.957 120.570 0.062 0.000 2.454 502 I HA -0.134 4.031 4.170 -0.008 0.000 0.254 502 I C 2.133 178.320 176.117 0.117 0.000 1.156 502 I CA 1.104 62.455 61.300 0.086 0.000 1.433 502 I CB -0.356 37.689 38.000 0.075 0.000 1.082 502 I HN 0.019 nan 8.210 nan 0.000 0.432 503 I N 1.873 122.489 120.570 0.076 0.000 2.286 503 I HA -0.150 4.015 4.170 -0.008 0.000 0.245 503 I C 3.026 179.092 176.117 -0.085 0.000 1.104 503 I CA 1.183 62.453 61.300 -0.050 0.000 1.397 503 I CB -0.452 37.405 38.000 -0.238 0.000 1.072 503 I HN 0.282 nan 8.210 nan 0.000 0.417 504 A N 0.531 123.394 122.820 0.072 0.000 1.933 504 A HA -0.237 4.078 4.320 -0.008 0.000 0.218 504 A C 2.166 179.780 177.584 0.050 0.000 1.175 504 A CA 1.660 53.793 52.037 0.159 0.000 0.628 504 A CB -0.605 18.518 19.000 0.204 0.000 0.814 504 A HN 0.431 nan 8.150 nan 0.000 0.444 505 E N -0.701 119.508 120.200 0.015 0.000 2.118 505 E HA -0.210 4.135 4.350 -0.008 0.000 0.195 505 E C 2.261 178.819 176.600 -0.071 0.000 0.992 505 E CA 1.245 57.636 56.400 -0.015 0.000 0.804 505 E CB -0.072 29.623 29.700 -0.009 0.000 0.741 505 E HN 0.501 nan 8.360 nan 0.000 0.458 506 R N 0.087 120.484 120.500 -0.172 0.000 2.128 506 R HA 0.071 4.406 4.340 -0.008 0.000 0.211 506 R C 2.282 178.500 176.300 -0.137 0.000 1.067 506 R CA 0.851 56.775 56.100 -0.294 0.000 1.010 506 R CB -0.103 29.691 30.300 -0.843 0.000 0.922 506 R HN 0.331 nan 8.270 nan 0.000 0.457 507 I N -3.114 117.397 120.570 -0.099 0.000 4.147 507 I HA 0.434 4.599 4.170 -0.008 0.000 0.329 507 I C 0.315 176.474 176.117 0.070 0.000 1.424 507 I CA -0.006 61.292 61.300 -0.003 0.000 1.127 507 I CB 0.899 38.887 38.000 -0.020 0.000 1.128 507 I HN 0.157 nan 8.210 nan 0.000 0.417 508 G N 2.095 110.945 108.800 0.084 0.000 2.685 508 G HA2 -0.204 3.751 3.960 -0.008 0.000 0.387 508 G HA3 -0.204 3.751 3.960 -0.008 0.000 0.387 508 G C -0.105 174.928 174.900 0.221 0.000 1.324 508 G CA 0.101 45.273 45.100 0.119 0.000 0.878 508 G HN 0.447 nan 8.290 nan 0.000 0.527 509 E N -0.382 119.900 120.200 0.137 0.000 2.472 509 E HA 0.070 4.415 4.350 -0.008 0.000 0.196 509 E C 1.835 178.396 176.600 -0.065 0.000 1.033 509 E CA -0.026 56.401 56.400 0.046 0.000 0.886 509 E CB 0.281 29.993 29.700 0.021 0.000 0.944 509 E HN 0.464 nan 8.360 nan 0.000 0.492 510 E N 0.673 120.903 120.200 0.051 0.000 2.209 510 E HA -0.198 4.147 4.350 -0.008 0.000 0.196 510 E C 1.732 178.336 176.600 0.006 0.000 0.993 510 E CA 1.003 57.424 56.400 0.035 0.000 0.819 510 E CB -0.057 29.686 29.700 0.071 0.000 0.745 510 E HN 0.533 nan 8.360 nan 0.000 0.477 511 Y N -1.041 119.267 120.300 0.014 0.000 2.421 511 Y HA -0.028 4.518 4.550 -0.007 0.000 0.292 511 Y C 1.982 177.864 175.900 -0.030 0.000 1.136 511 Y CA 0.545 58.645 58.100 0.000 0.000 1.255 511 Y CB -0.819 37.645 38.460 0.006 0.000 0.991 511 Y HN -0.085 nan 8.280 nan 0.000 0.552 512 I N 0.948 121.026 120.570 -0.820 0.000 2.423 512 I HA -0.234 3.932 4.170 -0.008 0.000 0.254 512 I C 1.585 177.448 176.117 -0.424 0.000 1.151 512 I CA 1.819 62.697 61.300 -0.703 0.000 1.421 512 I CB -0.371 37.135 38.000 -0.823 0.000 1.079 512 I HN 0.496 nan 8.210 nan 0.000 0.431 513 S N -2.114 113.449 115.700 -0.228 0.000 2.749 513 S HA 0.188 4.653 4.470 -0.008 0.000 0.246 513 S C 0.084 174.672 174.600 -0.021 0.000 1.023 513 S CA -0.513 57.630 58.200 -0.096 0.000 1.012 513 S CB 0.369 63.588 63.200 0.032 0.000 0.942 513 S HN 0.294 nan 8.310 nan 0.000 0.531 514 D N 0.635 121.030 120.400 -0.008 0.000 3.036 514 D HA 0.195 4.830 4.640 -0.008 0.000 0.244 514 D C 0.350 176.695 176.300 0.075 0.000 1.337 514 D CA -0.363 53.656 54.000 0.033 0.000 0.829 514 D CB 0.284 41.108 40.800 0.040 0.000 1.478 514 D HN 0.105 nan 8.370 nan 0.000 0.570 515 L N 1.189 122.458 121.223 0.076 0.000 2.261 515 L HA -0.037 4.298 4.340 -0.008 0.000 0.216 515 L C 1.466 178.393 176.870 0.095 0.000 1.114 515 L CA 1.607 56.522 54.840 0.126 0.000 0.777 515 L CB -0.085 42.040 42.059 0.110 0.000 0.910 515 L HN 0.280 nan 8.230 nan 0.000 0.440 516 D N -0.778 119.653 120.400 0.052 0.000 2.265 516 D HA -0.220 4.415 4.640 -0.008 0.000 0.208 516 D C 1.921 178.245 176.300 0.041 0.000 0.977 516 D CA 0.850 54.866 54.000 0.027 0.000 0.871 516 D CB 0.035 40.838 40.800 0.005 0.000 0.925 516 D HN 0.554 nan 8.370 nan 0.000 0.485 517 Q N -0.062 119.780 119.800 0.070 0.000 2.439 517 Q HA -0.036 4.299 4.340 -0.008 0.000 0.211 517 Q C 2.207 178.233 176.000 0.043 0.000 0.978 517 Q CA 0.178 56.023 55.803 0.069 0.000 0.897 517 Q CB 0.037 28.844 28.738 0.114 0.000 0.956 517 Q HN 0.385 nan 8.270 nan 0.000 0.483 518 L N 0.020 121.264 121.223 0.035 0.000 2.353 518 L HA -0.175 4.160 4.340 -0.008 0.000 0.220 518 L C 2.216 179.090 176.870 0.006 0.000 1.133 518 L CA 0.804 55.632 54.840 -0.019 0.000 0.798 518 L CB -0.299 41.761 42.059 0.001 0.000 0.922 518 L HN 0.201 nan 8.230 nan 0.000 0.445 519 R N 0.291 120.802 120.500 0.019 0.000 2.159 519 R HA -0.166 4.169 4.340 -0.008 0.000 0.237 519 R C 2.073 178.383 176.300 0.015 0.000 1.131 519 R CA 1.016 57.127 56.100 0.018 0.000 0.982 519 R CB -0.146 30.159 30.300 0.009 0.000 0.868 519 R HN 0.382 nan 8.270 nan 0.000 0.453 520 K N 0.568 120.977 120.400 0.016 0.000 2.280 520 K HA -0.104 4.212 4.320 -0.008 0.000 0.202 520 K C 1.791 178.428 176.600 0.062 0.000 1.047 520 K CA 0.826 57.126 56.287 0.022 0.000 0.942 520 K CB -0.061 32.460 32.500 0.035 0.000 0.739 520 K HN 0.229 nan 8.250 nan 0.000 0.457 521 L N 0.564 121.826 121.223 0.066 0.000 2.456 521 L HA -0.138 4.197 4.340 -0.008 0.000 0.224 521 L C 1.859 178.810 176.870 0.135 0.000 1.148 521 L CA 0.043 54.957 54.840 0.123 0.000 0.825 521 L CB -0.248 41.849 42.059 0.063 0.000 0.937 521 L HN 0.120 nan 8.230 nan 0.000 0.450 522 L N 0.041 121.299 121.223 0.058 0.000 2.191 522 L HA -0.174 4.161 4.340 -0.008 0.000 0.212 522 L C 2.620 179.476 176.870 -0.024 0.000 1.103 522 L CA 1.832 56.691 54.840 0.031 0.000 0.769 522 L CB -0.771 41.291 42.059 0.006 0.000 0.908 522 L HN 0.343 nan 8.230 nan 0.000 0.438 523 S N -2.808 112.816 115.700 -0.126 0.000 2.650 523 S HA -0.039 4.426 4.470 -0.008 0.000 0.219 523 S C 1.068 175.396 174.600 -0.453 0.000 0.960 523 S CA 0.136 58.162 58.200 -0.290 0.000 0.925 523 S CB -0.500 62.464 63.200 -0.392 0.000 0.775 523 S HN 0.438 nan 8.310 nan 0.000 0.525 524 Y N -0.616 119.636 120.300 -0.079 0.000 2.500 524 Y HA 0.416 4.964 4.550 -0.003 0.000 0.246 524 Y C 1.880 177.834 175.900 0.089 0.000 1.146 524 Y CA -0.724 57.330 58.100 -0.076 0.000 1.230 524 Y CB 0.145 38.377 38.460 -0.379 0.000 1.214 524 Y HN 0.263 nan 8.280 nan 0.000 0.526 525 V N 0.470 120.490 119.914 0.177 0.000 2.688 525 V HA -0.220 3.895 4.120 -0.008 0.000 0.256 525 V C 0.797 176.966 176.094 0.125 0.000 1.084 525 V CA 2.292 64.689 62.300 0.161 0.000 1.103 525 V CB -0.020 31.856 31.823 0.088 0.000 0.688 525 V HN 0.318 nan 8.190 nan 0.000 0.480 526 D N -0.734 119.724 120.400 0.096 0.000 2.431 526 D HA 0.143 4.778 4.640 -0.008 0.000 0.213 526 D C 0.191 176.546 176.300 0.092 0.000 1.130 526 D CA -0.039 54.004 54.000 0.072 0.000 0.834 526 D CB 0.144 40.963 40.800 0.032 0.000 0.985 526 D HN 0.433 nan 8.370 nan 0.000 0.504 527 D N 1.358 121.851 120.400 0.155 0.000 2.336 527 D HA -0.009 4.626 4.640 -0.008 0.000 0.249 527 D C 1.253 177.658 176.300 0.176 0.000 1.213 527 D CA -0.056 54.054 54.000 0.183 0.000 0.870 527 D CB 1.443 42.425 40.800 0.304 0.000 1.076 527 D HN -0.240 nan 8.370 nan 0.000 0.483 528 E N 3.224 123.492 120.200 0.114 0.000 2.118 528 E HA -0.165 4.180 4.350 -0.008 0.000 0.195 528 E C 1.689 178.343 176.600 0.090 0.000 0.992 528 E CA 1.492 57.943 56.400 0.085 0.000 0.804 528 E CB -0.063 29.671 29.700 0.056 0.000 0.741 528 E HN 0.592 nan 8.360 nan 0.000 0.458 529 A N -0.414 122.474 122.820 0.113 0.000 1.873 529 A HA -0.126 4.189 4.320 -0.008 0.000 0.215 529 A C 2.250 179.919 177.584 0.142 0.000 1.186 529 A CA 1.273 53.373 52.037 0.105 0.000 0.616 529 A CB -0.955 18.106 19.000 0.103 0.000 0.823 529 A HN 0.430 nan 8.150 nan 0.000 0.442 530 F N 0.463 120.419 119.950 0.010 0.000 2.134 530 F HA -0.161 4.362 4.527 -0.007 0.000 0.299 530 F C 2.072 177.872 175.800 0.000 0.000 1.097 530 F CA 1.562 59.551 58.000 -0.018 0.000 1.264 530 F CB -0.101 38.890 39.000 -0.016 0.000 1.001 530 F HN 0.161 nan 8.300 nan 0.000 0.479 531 I N 0.177 120.776 120.570 0.047 0.000 2.151 531 I HA -0.368 3.797 4.170 -0.008 0.000 0.243 531 I C 2.569 178.631 176.117 -0.093 0.000 1.080 531 I CA 1.693 62.963 61.300 -0.051 0.000 1.339 531 I CB -0.515 37.504 38.000 0.032 0.000 1.039 531 I HN 0.120 nan 8.210 nan 0.000 0.409 532 R N 0.856 121.330 120.500 -0.044 0.000 2.081 532 R HA -0.179 4.156 4.340 -0.008 0.000 0.235 532 R C 1.898 178.150 176.300 -0.079 0.000 1.131 532 R CA 1.765 57.838 56.100 -0.046 0.000 0.960 532 R CB -0.095 30.197 30.300 -0.012 0.000 0.856 532 R HN 0.309 nan 8.270 nan 0.000 0.436 533 D N -0.361 119.976 120.400 -0.106 0.000 2.117 533 D HA -0.117 4.518 4.640 -0.008 0.000 0.198 533 D C 1.927 178.107 176.300 -0.202 0.000 0.982 533 D CA 1.140 55.066 54.000 -0.123 0.000 0.828 533 D CB -0.135 40.616 40.800 -0.083 0.000 0.967 533 D HN 0.085 nan 8.370 nan 0.000 0.464 534 V N 1.626 121.321 119.914 -0.364 0.000 2.287 534 V HA -0.253 3.862 4.120 -0.008 0.000 0.248 534 V C 2.549 178.547 176.094 -0.159 0.000 1.053 534 V CA 1.947 64.042 62.300 -0.342 0.000 1.027 534 V CB -0.766 30.772 31.823 -0.475 0.000 0.646 534 V HN 0.184 nan 8.190 nan 0.000 0.447 535 A N -0.528 122.220 122.820 -0.120 0.000 1.969 535 A HA -0.239 4.076 4.320 -0.008 0.000 0.218 535 A C 2.340 179.888 177.584 -0.060 0.000 1.169 535 A CA 2.028 54.028 52.037 -0.062 0.000 0.635 535 A CB -0.447 18.522 19.000 -0.052 0.000 0.810 535 A HN 0.550 nan 8.150 nan 0.000 0.445 536 K N -0.197 120.163 120.400 -0.067 0.000 2.057 536 K HA -0.070 4.245 4.320 -0.008 0.000 0.206 536 K C 1.772 178.348 176.600 -0.041 0.000 1.050 536 K CA 1.508 57.766 56.287 -0.049 0.000 0.935 536 K CB -0.238 32.236 32.500 -0.044 0.000 0.715 536 K HN 0.209 nan 8.250 nan 0.000 0.439 537 V N 1.808 121.693 119.914 -0.049 0.000 2.343 537 V HA -0.239 3.876 4.120 -0.008 0.000 0.247 537 V C 2.394 178.476 176.094 -0.021 0.000 1.051 537 V CA 2.025 64.305 62.300 -0.032 0.000 1.036 537 V CB -0.470 31.328 31.823 -0.041 0.000 0.654 537 V HN 0.365 nan 8.190 nan 0.000 0.451 538 K N 0.535 120.920 120.400 -0.025 0.000 2.057 538 K HA -0.232 4.083 4.320 -0.008 0.000 0.207 538 K C 2.159 178.738 176.600 -0.035 0.000 1.049 538 K CA 1.840 58.119 56.287 -0.013 0.000 0.931 538 K CB -0.509 31.997 32.500 0.010 0.000 0.714 538 K HN 0.383 nan 8.250 nan 0.000 0.440 539 Q N 1.015 120.787 119.800 -0.047 0.000 2.124 539 Q HA -0.114 4.221 4.340 -0.008 0.000 0.202 539 Q C 1.635 177.619 176.000 -0.027 0.000 0.977 539 Q CA 1.975 57.742 55.803 -0.060 0.000 0.850 539 Q CB -0.081 28.624 28.738 -0.056 0.000 0.901 539 Q HN 0.533 nan 8.270 nan 0.000 0.429 540 E N -0.519 119.675 120.200 -0.009 0.000 2.106 540 E HA -0.144 4.201 4.350 -0.008 0.000 0.192 540 E C 1.727 178.352 176.600 0.042 0.000 0.984 540 E CA 0.948 57.357 56.400 0.015 0.000 0.806 540 E CB -0.064 29.642 29.700 0.011 0.000 0.750 540 E HN 0.411 nan 8.360 nan 0.000 0.458 541 N N 1.059 119.782 118.700 0.037 0.000 2.188 541 N HA -0.126 4.609 4.740 -0.008 0.000 0.184 541 N C 1.487 177.079 175.510 0.137 0.000 1.018 541 N CA 1.020 54.112 53.050 0.071 0.000 0.858 541 N CB -0.069 38.444 38.487 0.042 0.000 0.989 541 N HN 0.144 nan 8.380 nan 0.000 0.426 542 K N 0.568 121.018 120.400 0.083 0.000 2.097 542 K HA 0.029 4.344 4.320 -0.008 0.000 0.205 542 K C 2.076 178.816 176.600 0.233 0.000 1.050 542 K CA 0.636 57.002 56.287 0.130 0.000 0.938 542 K CB -0.115 32.215 32.500 -0.283 0.000 0.718 542 K HN 0.114 nan 8.250 nan 0.000 0.442 543 L N 1.044 122.343 121.223 0.126 0.000 2.056 543 L HA -0.151 4.184 4.340 -0.008 0.000 0.207 543 L C 2.605 179.569 176.870 0.156 0.000 1.078 543 L CA 0.960 55.875 54.840 0.126 0.000 0.749 543 L CB -0.316 41.785 42.059 0.069 0.000 0.901 543 L HN 0.093 nan 8.230 nan 0.000 0.433 544 K N 0.055 120.552 120.400 0.162 0.000 2.057 544 K HA -0.209 4.106 4.320 -0.008 0.000 0.207 544 K C 2.141 178.893 176.600 0.253 0.000 1.049 544 K CA 1.684 58.074 56.287 0.171 0.000 0.931 544 K CB -0.306 32.281 32.500 0.145 0.000 0.714 544 K HN 0.133 nan 8.250 nan 0.000 0.440 545 F N 1.121 121.161 119.950 0.150 0.000 2.163 545 F HA -0.004 4.518 4.527 -0.008 0.000 0.297 545 F C 2.047 177.984 175.800 0.227 0.000 1.094 545 F CA 1.109 59.213 58.000 0.174 0.000 1.290 545 F CB -0.461 38.646 39.000 0.178 0.000 1.017 545 F HN 0.034 nan 8.300 nan 0.000 0.483 546 A N 0.220 123.177 122.820 0.230 0.000 1.972 546 A HA -0.045 4.270 4.320 -0.008 0.000 0.219 546 A C 2.383 179.978 177.584 0.020 0.000 1.169 546 A CA 1.703 53.806 52.037 0.109 0.000 0.635 546 A CB -1.409 17.732 19.000 0.234 0.000 0.810 546 A HN 0.456 nan 8.150 nan 0.000 0.446 547 A N -1.259 121.599 122.820 0.063 0.000 1.854 547 A HA -0.061 4.254 4.320 -0.008 0.000 0.214 547 A C 2.120 179.710 177.584 0.011 0.000 1.192 547 A CA 1.506 53.565 52.037 0.036 0.000 0.611 547 A CB -0.954 18.085 19.000 0.066 0.000 0.832 547 A HN 0.758 nan 8.150 nan 0.000 0.442 548 Y N 0.054 120.299 120.300 -0.092 0.000 2.241 548 Y HA -0.206 4.340 4.550 -0.008 0.000 0.286 548 Y C 1.839 177.638 175.900 -0.169 0.000 1.166 548 Y CA 1.753 59.786 58.100 -0.112 0.000 1.203 548 Y CB -0.306 38.105 38.460 -0.082 0.000 0.977 548 Y HN 0.196 nan 8.280 nan 0.000 0.529 549 L N 0.524 121.668 121.223 -0.131 0.000 2.131 549 L HA -0.158 4.177 4.340 -0.008 0.000 0.210 549 L C 2.142 178.938 176.870 -0.123 0.000 1.092 549 L CA 1.836 56.577 54.840 -0.165 0.000 0.759 549 L CB -0.579 41.328 42.059 -0.253 0.000 0.903 549 L HN 0.339 nan 8.230 nan 0.000 0.435 550 E N -1.576 118.546 120.200 -0.130 0.000 2.075 550 E HA -0.095 4.250 4.350 -0.008 0.000 0.190 550 E C 2.170 178.685 176.600 -0.142 0.000 0.969 550 E CA 0.058 56.388 56.400 -0.117 0.000 0.815 550 E CB -0.124 29.505 29.700 -0.119 0.000 0.776 550 E HN 0.273 nan 8.360 nan 0.000 0.457 551 R N 1.341 121.741 120.500 -0.168 0.000 2.096 551 R HA -0.122 4.213 4.340 -0.008 0.000 0.240 551 R C 0.067 176.205 176.300 -0.271 0.000 1.139 551 R CA 1.192 57.182 56.100 -0.183 0.000 0.952 551 R CB 0.111 30.312 30.300 -0.165 0.000 0.854 551 R HN -0.027 nan 8.270 nan 0.000 0.436 552 E N -0.912 119.027 120.200 -0.434 0.000 2.145 552 E HA 0.170 4.515 4.350 -0.008 0.000 0.262 552 E C -1.306 175.048 176.600 -0.410 0.000 0.883 552 E CA -0.374 55.674 56.400 -0.588 0.000 0.748 552 E CB 0.669 29.814 29.700 -0.925 0.000 1.140 552 E HN 0.197 nan 8.360 nan 0.000 0.417 553 Y N 1.095 121.302 120.300 -0.155 0.000 4.805 553 Y HA -0.280 4.265 4.550 -0.009 0.000 0.294 553 Y C -0.080 175.778 175.900 -0.070 0.000 0.867 553 Y CA 0.360 58.408 58.100 -0.087 0.000 1.623 553 Y CB -1.252 37.164 38.460 -0.074 0.000 0.975 553 Y HN 0.478 nan 8.280 nan 0.000 0.440 554 K N -0.186 120.227 120.400 0.022 0.000 4.838 554 K HA -0.087 4.228 4.320 -0.008 0.000 0.300 554 K C 0.099 176.707 176.600 0.015 0.000 0.861 554 K CA 0.981 57.264 56.287 -0.008 0.000 0.929 554 K CB -1.617 30.883 32.500 0.000 0.000 1.772 554 K HN 0.297 nan 8.250 nan 0.000 0.422 555 V N 0.635 120.542 119.914 -0.012 0.000 3.815 555 V HA 0.418 4.533 4.120 -0.008 0.000 0.284 555 V C 0.886 176.984 176.094 0.006 0.000 1.266 555 V CA -0.635 61.672 62.300 0.010 0.000 0.923 555 V CB 1.330 33.148 31.823 -0.008 0.000 1.267 555 V HN 0.670 nan 8.190 nan 0.000 0.461 556 H N 0.958 120.010 119.070 -0.029 0.000 3.345 556 H HA 0.356 4.907 4.556 -0.008 0.000 0.215 556 H C -0.605 174.713 175.328 -0.017 0.000 1.368 556 H CA -0.405 55.631 56.048 -0.021 0.000 1.211 556 H CB 0.394 30.140 29.762 -0.026 0.000 2.467 556 H HN 0.591 nan 8.280 nan 0.000 0.530 557 I N -1.175 119.463 120.570 0.114 0.000 2.662 557 I HA 0.313 4.478 4.170 -0.008 0.000 0.291 557 I C 0.417 176.632 176.117 0.164 0.000 1.046 557 I CA -0.690 60.667 61.300 0.094 0.000 1.361 557 I CB 0.993 38.997 38.000 0.008 0.000 1.429 557 I HN 0.087 nan 8.210 nan 0.000 0.558 558 N N 5.435 124.240 118.700 0.175 0.000 2.457 558 N HA 0.391 5.126 4.740 -0.008 0.000 0.250 558 N C -2.038 173.624 175.510 0.253 0.000 0.982 558 N CA -2.356 50.801 53.050 0.178 0.000 0.941 558 N CB 1.304 39.860 38.487 0.115 0.000 1.120 558 N HN 0.340 nan 8.380 nan 0.000 0.505 559 P HA -0.084 nan 4.420 nan 0.000 0.224 559 P C -0.025 177.263 177.300 -0.020 0.000 1.142 559 P CA 1.238 64.413 63.100 0.124 0.000 0.778 559 P CB 0.113 31.867 31.700 0.090 0.000 0.764 560 N N -1.418 117.305 118.700 0.039 0.000 2.373 560 N HA 0.010 4.745 4.740 -0.008 0.000 0.181 560 N C 0.437 175.974 175.510 0.045 0.000 1.082 560 N CA -0.117 52.944 53.050 0.019 0.000 0.885 560 N CB 0.088 38.598 38.487 0.038 0.000 0.977 560 N HN 0.200 nan 8.380 nan 0.000 0.462 561 S N 0.443 116.184 115.700 0.069 0.000 2.632 561 S HA 0.220 4.685 4.470 -0.008 0.000 0.267 561 S C -0.002 174.566 174.600 -0.053 0.000 1.276 561 S CA -0.866 57.362 58.200 0.047 0.000 0.998 561 S CB 1.293 64.554 63.200 0.101 0.000 0.953 561 S HN 0.162 nan 8.310 nan 0.000 0.547 562 L N 1.981 123.024 121.223 -0.300 0.000 2.360 562 L HA 0.379 4.714 4.340 -0.008 0.000 0.276 562 L C -0.930 175.913 176.870 -0.045 0.000 1.121 562 L CA -0.568 53.894 54.840 -0.629 0.000 0.845 562 L CB -0.133 41.255 42.059 -1.118 0.000 1.143 562 L HN 0.712 nan 8.230 nan 0.000 0.452 563 F N 4.246 124.065 119.950 -0.219 0.000 2.405 563 F HA 0.108 4.631 4.527 -0.007 0.000 0.358 563 F C 0.421 176.157 175.800 -0.107 0.000 1.151 563 F CA -0.865 57.077 58.000 -0.097 0.000 1.161 563 F CB 0.608 39.602 39.000 -0.010 0.000 1.245 563 F HN 0.526 nan 8.300 nan 0.000 0.545 564 D N 4.819 125.229 120.400 0.017 0.000 2.396 564 D HA 0.290 4.925 4.640 -0.008 0.000 0.225 564 D C -0.888 175.360 176.300 -0.086 0.000 1.121 564 D CA -0.055 53.907 54.000 -0.064 0.000 0.853 564 D CB 1.228 41.973 40.800 -0.092 0.000 1.043 564 D HN 0.093 nan 8.370 nan 0.000 0.500 565 V N 4.270 124.117 119.914 -0.112 0.000 2.540 565 V HA 0.393 4.508 4.120 -0.008 0.000 0.302 565 V C -0.158 175.792 176.094 -0.240 0.000 1.035 565 V CA -0.846 61.372 62.300 -0.137 0.000 0.873 565 V CB 1.824 33.640 31.823 -0.010 0.000 0.992 565 V HN 0.492 nan 8.190 nan 0.000 0.428 566 Q N 3.614 123.290 119.800 -0.208 0.000 2.397 566 Q HA 0.639 4.974 4.340 -0.008 0.000 0.260 566 Q C -1.489 174.354 176.000 -0.261 0.000 1.002 566 Q CA -0.449 55.216 55.803 -0.231 0.000 0.716 566 Q CB 1.926 30.555 28.738 -0.181 0.000 1.258 566 Q HN 0.799 nan 8.270 nan 0.000 0.477 567 V N 1.776 121.521 119.914 -0.281 0.000 2.487 567 V HA 0.867 4.982 4.120 -0.008 0.000 0.298 567 V C -0.846 174.984 176.094 -0.440 0.000 1.028 567 V CA -0.569 61.380 62.300 -0.584 0.000 0.860 567 V CB 1.328 32.549 31.823 -1.003 0.000 0.991 567 V HN 0.823 nan 8.190 nan 0.000 0.427 568 K N 2.413 122.600 120.400 -0.354 0.000 3.040 568 K HA 0.389 4.704 4.320 -0.008 0.000 0.300 568 K C -1.319 175.287 176.600 0.011 0.000 1.092 568 K CA -1.127 55.131 56.287 -0.049 0.000 0.831 568 K CB 0.923 33.378 32.500 -0.075 0.000 1.469 568 K HN 0.472 nan 8.250 nan 0.000 0.365 569 R N 0.859 121.411 120.500 0.087 0.000 2.698 569 R HA 0.181 4.516 4.340 -0.008 0.000 0.266 569 R C 0.369 176.698 176.300 0.048 0.000 1.026 569 R CA -0.320 55.846 56.100 0.109 0.000 1.102 569 R CB -0.146 30.245 30.300 0.152 0.000 0.978 569 R HN 0.461 nan 8.270 nan 0.000 0.436 570 I N 4.030 124.640 120.570 0.067 0.000 2.452 570 I HA 0.103 4.268 4.170 -0.008 0.000 0.287 570 I C 0.699 176.815 176.117 -0.003 0.000 1.079 570 I CA 0.528 61.823 61.300 -0.007 0.000 1.387 570 I CB -0.236 37.746 38.000 -0.030 0.000 1.404 570 I HN 0.362 nan 8.210 nan 0.000 0.522 571 H N 5.220 124.197 119.070 -0.156 0.000 3.079 571 H HA 0.208 4.759 4.556 -0.008 0.000 0.356 571 H C 0.372 175.598 175.328 -0.171 0.000 1.221 571 H CA -0.373 55.635 56.048 -0.067 0.000 1.185 571 H CB 1.742 31.473 29.762 -0.052 0.000 1.882 571 H HN 0.598 nan 8.280 nan 0.000 0.543 572 E N 2.082 122.375 120.200 0.155 0.000 2.118 572 E HA -0.237 4.108 4.350 -0.008 0.000 0.195 572 E C 1.271 177.722 176.600 -0.248 0.000 0.992 572 E CA 1.783 58.238 56.400 0.092 0.000 0.804 572 E CB -0.062 29.848 29.700 0.350 0.000 0.741 572 E HN 0.578 nan 8.360 nan 0.000 0.458 573 Y N 0.735 120.681 120.300 -0.591 0.000 2.421 573 Y HA 0.001 4.546 4.550 -0.008 0.000 0.292 573 Y C 1.537 177.157 175.900 -0.467 0.000 1.136 573 Y CA 0.630 58.038 58.100 -1.154 0.000 1.255 573 Y CB 0.047 37.825 38.460 -1.136 0.000 0.991 573 Y HN -0.214 nan 8.280 nan 0.000 0.552 574 K N 1.144 121.088 120.400 -0.762 0.000 2.366 574 K HA 0.007 4.322 4.320 -0.008 0.000 0.198 574 K C 0.300 176.727 176.600 -0.287 0.000 1.044 574 K CA 0.828 56.775 56.287 -0.567 0.000 0.973 574 K CB -0.208 31.980 32.500 -0.521 0.000 0.767 574 K HN 0.469 nan 8.250 nan 0.000 0.475 575 R N 0.598 120.963 120.500 -0.225 0.000 3.423 575 R HA -0.189 4.146 4.340 -0.008 0.000 0.271 575 R C 0.611 176.836 176.300 -0.125 0.000 1.093 575 R CA 0.300 56.318 56.100 -0.137 0.000 0.730 575 R CB -2.100 28.128 30.300 -0.119 0.000 1.190 575 R HN 0.203 nan 8.270 nan 0.000 0.437 576 Q N 0.327 120.052 119.800 -0.125 0.000 2.234 576 Q HA -0.040 4.295 4.340 -0.008 0.000 0.206 576 Q C 1.891 177.845 176.000 -0.077 0.000 0.980 576 Q CA 1.402 57.144 55.803 -0.101 0.000 0.869 576 Q CB 0.036 28.719 28.738 -0.092 0.000 0.912 576 Q HN 0.590 nan 8.270 nan 0.000 0.436 577 L N -0.609 120.572 121.223 -0.071 0.000 2.131 577 L HA -0.178 4.157 4.340 -0.008 0.000 0.210 577 L C 1.984 178.856 176.870 0.003 0.000 1.092 577 L CA 0.513 55.325 54.840 -0.047 0.000 0.759 577 L CB -0.334 41.704 42.059 -0.034 0.000 0.903 577 L HN 0.312 nan 8.230 nan 0.000 0.435 578 L N 0.028 121.246 121.223 -0.008 0.000 2.056 578 L HA -0.231 4.104 4.340 -0.008 0.000 0.207 578 L C 2.029 178.956 176.870 0.095 0.000 1.078 578 L CA 1.900 56.750 54.840 0.017 0.000 0.749 578 L CB -0.832 41.129 42.059 -0.164 0.000 0.901 578 L HN 0.281 nan 8.230 nan 0.000 0.433 579 N N -1.650 117.072 118.700 0.037 0.000 2.120 579 N HA -0.238 4.497 4.740 -0.008 0.000 0.188 579 N C 1.944 177.535 175.510 0.136 0.000 1.024 579 N CA 1.619 54.764 53.050 0.159 0.000 0.852 579 N CB -0.144 38.368 38.487 0.042 0.000 1.003 579 N HN 0.493 nan 8.380 nan 0.000 0.424 580 C N 0.563 119.881 119.300 0.030 0.000 2.413 580 C HA -0.074 4.381 4.460 -0.008 0.000 0.276 580 C C 2.576 177.560 174.990 -0.010 0.000 1.248 580 C CA 0.392 59.381 59.018 -0.048 0.000 1.742 580 C CB -1.238 26.422 27.740 -0.133 0.000 2.017 580 C HN 0.511 nan 8.230 nan 0.000 0.481 581 L N -0.447 120.833 121.223 0.095 0.000 2.083 581 L HA -0.186 4.149 4.340 -0.008 0.000 0.209 581 L C 2.739 179.760 176.870 0.251 0.000 1.083 581 L CA 1.671 56.615 54.840 0.174 0.000 0.752 581 L CB -1.013 41.225 42.059 0.299 0.000 0.899 581 L HN 0.593 nan 8.230 nan 0.000 0.433 582 H N -0.051 119.119 119.070 0.166 0.000 2.326 582 H HA -0.124 4.427 4.556 -0.008 0.000 0.301 582 H C 2.245 177.558 175.328 -0.025 0.000 1.081 582 H CA 1.800 57.862 56.048 0.024 0.000 1.334 582 H CB 0.355 30.058 29.762 -0.098 0.000 1.385 582 H HN 0.085 nan 8.280 nan 0.000 0.504 583 V N 1.664 121.506 119.914 -0.120 0.000 2.287 583 V HA -0.284 3.831 4.120 -0.008 0.000 0.248 583 V C 2.820 178.845 176.094 -0.115 0.000 1.053 583 V CA 1.930 64.124 62.300 -0.177 0.000 1.027 583 V CB -0.521 31.241 31.823 -0.103 0.000 0.646 583 V HN 0.402 nan 8.190 nan 0.000 0.447 584 I N -0.280 120.252 120.570 -0.063 0.000 2.394 584 I HA -0.208 3.957 4.170 -0.008 0.000 0.251 584 I C 2.490 178.646 176.117 0.065 0.000 1.136 584 I CA 1.628 62.951 61.300 0.038 0.000 1.425 584 I CB -0.662 37.334 38.000 -0.008 0.000 1.079 584 I HN 0.325 nan 8.210 nan 0.000 0.425 585 T N 1.227 115.777 114.554 -0.007 0.000 2.708 585 T HA -0.141 4.204 4.350 -0.008 0.000 0.266 585 T C 1.883 176.521 174.700 -0.104 0.000 1.037 585 T CA 1.199 63.286 62.100 -0.022 0.000 1.146 585 T CB -0.229 68.647 68.868 0.013 0.000 0.865 585 T HN 0.080 nan 8.240 nan 0.000 0.435 586 L N 0.139 121.229 121.223 -0.222 0.000 2.046 586 L HA -0.027 4.308 4.340 -0.008 0.000 0.208 586 L C 2.083 178.901 176.870 -0.087 0.000 1.077 586 L CA 1.584 56.293 54.840 -0.218 0.000 0.747 586 L CB -0.974 40.888 42.059 -0.330 0.000 0.896 586 L HN 0.372 nan 8.230 nan 0.000 0.432 587 Y N 0.151 120.376 120.300 -0.126 0.000 2.145 587 Y HA -0.273 4.272 4.550 -0.008 0.000 0.286 587 Y C 2.429 178.296 175.900 -0.055 0.000 1.145 587 Y CA 1.792 59.856 58.100 -0.060 0.000 1.148 587 Y CB -0.092 38.375 38.460 0.011 0.000 0.981 587 Y HN 0.267 nan 8.280 nan 0.000 0.507 588 N N 0.504 119.136 118.700 -0.115 0.000 2.166 588 N HA -0.143 4.592 4.740 -0.008 0.000 0.186 588 N C 1.805 177.190 175.510 -0.208 0.000 1.019 588 N CA 1.460 54.382 53.050 -0.212 0.000 0.856 588 N CB -0.358 38.070 38.487 -0.098 0.000 0.993 588 N HN 0.452 nan 8.380 nan 0.000 0.426 589 R N 0.380 120.786 120.500 -0.157 0.000 2.092 589 R HA 0.079 4.414 4.340 -0.008 0.000 0.231 589 R C 2.188 178.395 176.300 -0.155 0.000 1.119 589 R CA 0.703 56.722 56.100 -0.136 0.000 0.970 589 R CB -0.196 30.034 30.300 -0.116 0.000 0.864 589 R HN 0.249 nan 8.270 nan 0.000 0.440 590 I N 0.884 121.338 120.570 -0.192 0.000 2.252 590 I HA -0.249 3.916 4.170 -0.008 0.000 0.245 590 I C 2.059 178.053 176.117 -0.205 0.000 1.102 590 I CA 1.139 62.328 61.300 -0.184 0.000 1.385 590 I CB -0.163 37.728 38.000 -0.181 0.000 1.064 590 I HN 0.018 nan 8.210 nan 0.000 0.414 591 K N 0.855 121.068 120.400 -0.311 0.000 2.209 591 K HA -0.203 4.112 4.320 -0.008 0.000 0.204 591 K C 2.021 178.520 176.600 -0.169 0.000 1.048 591 K CA 1.092 57.214 56.287 -0.275 0.000 0.940 591 K CB -0.264 31.997 32.500 -0.399 0.000 0.729 591 K HN 0.140 nan 8.250 nan 0.000 0.451 592 K N 1.685 121.991 120.400 -0.156 0.000 2.116 592 K HA -0.064 4.251 4.320 -0.008 0.000 0.203 592 K C 0.108 176.658 176.600 -0.082 0.000 1.052 592 K CA 1.234 57.457 56.287 -0.107 0.000 0.952 592 K CB 0.355 32.795 32.500 -0.100 0.000 0.729 592 K HN 0.053 nan 8.250 nan 0.000 0.446 593 E N 0.149 120.298 120.200 -0.085 0.000 3.374 593 E HA 0.162 4.507 4.350 -0.008 0.000 0.223 593 E C -2.320 174.242 176.600 -0.063 0.000 1.210 593 E CA -1.609 54.755 56.400 -0.061 0.000 0.987 593 E CB 1.559 31.229 29.700 -0.050 0.000 1.322 593 E HN 0.070 nan 8.360 nan 0.000 0.404 594 P HA -0.187 nan 4.420 nan 0.000 0.216 594 P C 0.256 177.536 177.300 -0.034 0.000 1.153 594 P CA 1.353 64.418 63.100 -0.057 0.000 0.858 594 P CB 0.173 31.844 31.700 -0.049 0.000 0.789 595 N N -1.380 117.310 118.700 -0.018 0.000 2.276 595 N HA 0.014 4.749 4.740 -0.008 0.000 0.212 595 N C 0.395 175.919 175.510 0.024 0.000 1.127 595 N CA -0.021 53.032 53.050 0.005 0.000 0.834 595 N CB -0.041 38.450 38.487 0.005 0.000 1.014 595 N HN 0.024 nan 8.380 nan 0.000 0.491 596 K N 1.127 121.534 120.400 0.012 0.000 2.143 596 K HA 0.159 4.474 4.320 -0.008 0.000 0.272 596 K C -0.906 175.730 176.600 0.062 0.000 1.001 596 K CA -0.576 55.733 56.287 0.036 0.000 0.915 596 K CB 0.592 33.093 32.500 0.001 0.000 1.047 596 K HN -0.036 nan 8.250 nan 0.000 0.458 597 F N 4.406 124.340 119.950 -0.027 0.000 2.443 597 F HA 0.250 4.772 4.527 -0.008 0.000 0.353 597 F C -0.389 175.393 175.800 -0.029 0.000 1.101 597 F CA -0.055 57.930 58.000 -0.025 0.000 1.226 597 F CB 0.680 39.669 39.000 -0.019 0.000 1.140 597 F HN 0.204 nan 8.300 nan 0.000 0.557 598 V N 3.922 123.221 119.914 -1.026 0.000 2.888 598 V HA 0.505 4.620 4.120 -0.008 0.000 0.309 598 V C -0.895 174.596 176.094 -1.005 0.000 1.114 598 V CA -1.231 60.624 62.300 -0.741 0.000 0.940 598 V CB 0.867 32.463 31.823 -0.378 0.000 1.021 598 V HN 0.589 nan 8.190 nan 0.000 0.426 599 V N 4.777 124.359 119.914 -0.553 0.000 2.493 599 V HA 0.183 4.298 4.120 -0.008 0.000 0.292 599 V C -1.823 174.104 176.094 -0.279 0.000 1.016 599 V CA -0.358 61.753 62.300 -0.316 0.000 1.097 599 V CB 0.442 32.202 31.823 -0.104 0.000 0.947 599 V HN 0.897 nan 8.190 nan 0.000 0.479 600 P HA 0.273 nan 4.420 nan 0.000 0.268 600 P C -0.350 176.864 177.300 -0.144 0.000 1.204 600 P CA 0.119 63.131 63.100 -0.146 0.000 0.768 600 P CB 0.489 32.153 31.700 -0.060 0.000 0.842 601 R N 1.263 121.690 120.500 -0.121 0.000 2.744 601 R HA 0.590 4.925 4.340 -0.008 0.000 0.279 601 R C -0.834 175.433 176.300 -0.054 0.000 0.977 601 R CA -0.659 55.374 56.100 -0.112 0.000 0.906 601 R CB 2.061 32.277 30.300 -0.141 0.000 1.197 601 R HN 0.269 nan 8.270 nan 0.000 0.463 602 T N 1.885 116.426 114.554 -0.021 0.000 2.864 602 T HA 0.238 4.583 4.350 -0.008 0.000 0.310 602 T C -0.473 174.161 174.700 -0.111 0.000 1.040 602 T CA -0.455 61.603 62.100 -0.069 0.000 0.977 602 T CB 1.121 69.911 68.868 -0.130 0.000 0.976 602 T HN 0.140 nan 8.240 nan 0.000 0.459 603 V N 5.909 125.762 119.914 -0.102 0.000 2.385 603 V HA 0.429 4.544 4.120 -0.008 0.000 0.269 603 V C 0.093 176.120 176.094 -0.112 0.000 1.043 603 V CA -0.348 61.894 62.300 -0.097 0.000 0.906 603 V CB 0.706 32.484 31.823 -0.075 0.000 0.995 603 V HN 0.841 nan 8.190 nan 0.000 0.467 604 M N 6.658 126.181 119.600 -0.129 0.000 2.243 604 M HA 0.622 5.097 4.480 -0.008 0.000 0.324 604 M C -0.995 175.207 176.300 -0.163 0.000 1.031 604 M CA -0.165 55.050 55.300 -0.141 0.000 0.949 604 M CB 2.010 34.525 32.600 -0.142 0.000 1.615 604 M HN 0.424 nan 8.290 nan 0.000 0.430 605 I N 1.848 122.302 120.570 -0.193 0.000 2.533 605 I HA 0.823 4.988 4.170 -0.008 0.000 0.290 605 I C -0.027 175.781 176.117 -0.515 0.000 1.056 605 I CA -0.646 60.512 61.300 -0.237 0.000 1.057 605 I CB 2.349 40.297 38.000 -0.088 0.000 1.240 605 I HN 0.806 nan 8.210 nan 0.000 0.423 606 G N 2.957 111.420 108.800 -0.563 0.000 2.690 606 G HA2 0.839 4.794 3.960 -0.008 0.000 0.293 606 G HA3 0.839 4.794 3.960 -0.008 0.000 0.293 606 G C -1.043 173.584 174.900 -0.454 0.000 1.399 606 G CA -0.734 43.884 45.100 -0.804 0.000 0.890 606 G HN 0.994 nan 8.290 nan 0.000 0.485 607 G N -0.407 108.278 108.800 -0.193 0.000 2.352 607 G HA2 0.417 4.372 3.960 -0.008 0.000 0.305 607 G HA3 0.417 4.372 3.960 -0.008 0.000 0.305 607 G C -1.303 173.741 174.900 0.239 0.000 1.537 607 G CA -1.026 44.126 45.100 0.087 0.000 0.959 607 G HN 0.605 nan 8.290 nan 0.000 0.668 608 K N -0.140 120.397 120.400 0.228 0.000 2.098 608 K HA 0.765 5.080 4.320 -0.008 0.000 0.258 608 K C 0.218 176.970 176.600 0.253 0.000 0.973 608 K CA -0.232 56.210 56.287 0.259 0.000 0.898 608 K CB 2.076 34.636 32.500 0.099 0.000 1.057 608 K HN 0.872 nan 8.250 nan 0.000 0.447 609 A N 1.331 124.332 122.820 0.300 0.000 2.324 609 A HA 0.649 4.964 4.320 -0.008 0.000 0.330 609 A C -0.495 177.274 177.584 0.308 0.000 1.165 609 A CA -0.747 51.409 52.037 0.199 0.000 0.813 609 A CB 1.071 20.105 19.000 0.055 0.000 1.197 609 A HN 0.772 nan 8.150 nan 0.000 0.484 610 A N 3.443 126.436 122.820 0.289 0.000 2.511 610 A HA 0.479 4.794 4.320 -0.008 0.000 0.242 610 A C -1.408 176.273 177.584 0.161 0.000 1.069 610 A CA -0.829 51.379 52.037 0.286 0.000 0.763 610 A CB -0.366 18.783 19.000 0.248 0.000 1.001 610 A HN 0.599 nan 8.150 nan 0.000 0.498 611 P HA -0.154 nan 4.420 nan 0.000 0.217 611 P C 1.269 178.565 177.300 -0.005 0.000 1.151 611 P CA 2.023 65.077 63.100 -0.078 0.000 0.849 611 P CB 0.212 31.808 31.700 -0.173 0.000 0.787 612 G N -3.093 105.726 108.800 0.032 0.000 3.189 612 G HA2 -0.061 3.894 3.960 -0.008 0.000 0.225 612 G HA3 -0.061 3.894 3.960 -0.008 0.000 0.225 612 G C -0.293 174.642 174.900 0.059 0.000 1.159 612 G CA -0.108 45.011 45.100 0.031 0.000 0.763 612 G HN 0.309 nan 8.290 nan 0.000 0.549 613 Y N 1.348 121.595 120.300 -0.087 0.000 2.751 613 Y HA 0.241 4.786 4.550 -0.008 0.000 0.333 613 Y C 1.685 177.568 175.900 -0.029 0.000 1.122 613 Y CA -1.167 56.859 58.100 -0.123 0.000 1.367 613 Y CB 0.311 38.666 38.460 -0.174 0.000 1.242 613 Y HN 0.333 nan 8.280 nan 0.000 0.505 614 H N 3.429 122.609 119.070 0.183 0.000 2.265 614 H HA -0.295 4.256 4.556 -0.008 0.000 0.293 614 H C 2.010 177.361 175.328 0.039 0.000 1.089 614 H CA 2.967 59.072 56.048 0.094 0.000 1.244 614 H CB 0.185 30.001 29.762 0.089 0.000 1.355 614 H HN 0.718 nan 8.280 nan 0.000 0.485 615 M N 0.316 119.921 119.600 0.008 0.000 2.149 615 M HA -0.093 4.382 4.480 -0.008 0.000 0.261 615 M C 2.376 178.438 176.300 -0.397 0.000 1.064 615 M CA 1.916 57.127 55.300 -0.149 0.000 1.102 615 M CB -0.788 31.854 32.600 0.069 0.000 1.369 615 M HN 0.415 nan 8.290 nan 0.000 0.408 616 A N -0.486 121.855 122.820 -0.799 0.000 1.902 616 A HA -0.192 4.123 4.320 -0.008 0.000 0.217 616 A C 2.206 179.581 177.584 -0.348 0.000 1.181 616 A CA 1.872 53.462 52.037 -0.744 0.000 0.623 616 A CB -0.636 17.716 19.000 -1.081 0.000 0.818 616 A HN 0.584 nan 8.150 nan 0.000 0.443 617 K N -1.127 119.121 120.400 -0.254 0.000 2.148 617 K HA -0.034 4.281 4.320 -0.008 0.000 0.204 617 K C 1.892 178.421 176.600 -0.119 0.000 1.050 617 K CA 1.187 57.407 56.287 -0.111 0.000 0.942 617 K CB -0.194 32.303 32.500 -0.006 0.000 0.724 617 K HN 0.350 nan 8.250 nan 0.000 0.446 618 M N 0.456 119.939 119.600 -0.195 0.000 2.229 618 M HA -0.062 4.413 4.480 -0.008 0.000 0.264 618 M C 2.058 178.284 176.300 -0.124 0.000 1.063 618 M CA 1.334 56.553 55.300 -0.135 0.000 1.114 618 M CB -0.549 31.964 32.600 -0.144 0.000 1.387 618 M HN 0.128 nan 8.290 nan 0.000 0.420 619 I N -0.209 120.257 120.570 -0.173 0.000 2.315 619 I HA -0.285 3.881 4.170 -0.008 0.000 0.248 619 I C 2.259 178.253 176.117 -0.206 0.000 1.117 619 I CA 1.000 62.195 61.300 -0.175 0.000 1.404 619 I CB -0.272 37.622 38.000 -0.177 0.000 1.071 619 I HN 0.169 nan 8.210 nan 0.000 0.419 620 I N 0.705 121.133 120.570 -0.238 0.000 2.226 620 I HA -0.294 3.871 4.170 -0.008 0.000 0.245 620 I C 2.596 178.441 176.117 -0.454 0.000 1.100 620 I CA 1.201 62.273 61.300 -0.381 0.000 1.374 620 I CB -0.303 37.446 38.000 -0.418 0.000 1.057 620 I HN 0.150 nan 8.210 nan 0.000 0.413 621 K N 1.585 121.727 120.400 -0.430 0.000 2.057 621 K HA -0.156 4.159 4.320 -0.008 0.000 0.207 621 K C 2.051 178.497 176.600 -0.256 0.000 1.049 621 K CA 1.495 57.454 56.287 -0.547 0.000 0.931 621 K CB -0.562 31.362 32.500 -0.960 0.000 0.714 621 K HN 0.224 nan 8.250 nan 0.000 0.440 622 L N 0.422 121.534 121.223 -0.185 0.000 2.046 622 L HA -0.163 4.172 4.340 -0.008 0.000 0.208 622 L C 2.169 178.807 176.870 -0.388 0.000 1.077 622 L CA 1.716 56.282 54.840 -0.456 0.000 0.747 622 L CB -0.292 41.420 42.059 -0.577 0.000 0.896 622 L HN 0.278 nan 8.230 nan 0.000 0.432 623 I N -0.161 120.235 120.570 -0.290 0.000 2.179 623 I HA -0.324 3.841 4.170 -0.008 0.000 0.242 623 I C 2.610 178.624 176.117 -0.172 0.000 1.088 623 I CA 1.899 63.078 61.300 -0.202 0.000 1.357 623 I CB -0.607 37.350 38.000 -0.071 0.000 1.051 623 I HN 0.420 nan 8.210 nan 0.000 0.409 624 T N -0.837 113.588 114.554 -0.216 0.000 2.867 624 T HA -0.042 4.303 4.350 -0.008 0.000 0.268 624 T C 1.980 176.616 174.700 -0.106 0.000 1.057 624 T CA 0.892 62.897 62.100 -0.158 0.000 1.136 624 T CB -0.424 68.305 68.868 -0.232 0.000 0.874 624 T HN 0.338 nan 8.240 nan 0.000 0.466 625 A N 1.487 124.237 122.820 -0.117 0.000 1.930 625 A HA 0.157 4.472 4.320 -0.008 0.000 0.217 625 A C 2.372 179.964 177.584 0.014 0.000 1.175 625 A CA 1.204 53.236 52.037 -0.008 0.000 0.627 625 A CB -0.784 18.285 19.000 0.116 0.000 0.815 625 A HN 0.592 nan 8.150 nan 0.000 0.443 626 I N -0.455 120.020 120.570 -0.159 0.000 2.315 626 I HA -0.162 4.003 4.170 -0.008 0.000 0.248 626 I C 2.666 178.748 176.117 -0.059 0.000 1.117 626 I CA 1.025 62.210 61.300 -0.192 0.000 1.404 626 I CB -0.534 37.228 38.000 -0.397 0.000 1.071 626 I HN 0.397 nan 8.210 nan 0.000 0.419 627 G N 0.381 109.146 108.800 -0.059 0.000 2.422 627 G HA2 -0.236 3.719 3.960 -0.008 0.000 0.218 627 G HA3 -0.236 3.719 3.960 -0.008 0.000 0.218 627 G C 1.232 176.160 174.900 0.048 0.000 1.146 627 G CA 0.766 45.851 45.100 -0.025 0.000 0.769 627 G HN 0.267 nan 8.290 nan 0.000 0.547 628 D N 0.067 120.517 120.400 0.084 0.000 2.182 628 D HA -0.083 4.552 4.640 -0.008 0.000 0.201 628 D C 2.678 179.095 176.300 0.195 0.000 0.986 628 D CA 0.658 54.753 54.000 0.159 0.000 0.847 628 D CB -0.105 40.729 40.800 0.055 0.000 0.942 628 D HN 0.257 nan 8.370 nan 0.000 0.467 629 V N 0.025 119.998 119.914 0.099 0.000 2.331 629 V HA -0.122 3.993 4.120 -0.008 0.000 0.242 629 V C 2.581 178.657 176.094 -0.031 0.000 1.034 629 V CA 0.682 62.994 62.300 0.020 0.000 1.027 629 V CB -0.283 31.536 31.823 -0.007 0.000 0.667 629 V HN 0.019 nan 8.190 nan 0.000 0.457 630 V N 1.079 120.912 119.914 -0.135 0.000 2.295 630 V HA -0.213 3.902 4.120 -0.008 0.000 0.246 630 V C 2.165 178.235 176.094 -0.040 0.000 1.049 630 V CA 2.060 64.266 62.300 -0.156 0.000 1.024 630 V CB -0.891 30.828 31.823 -0.174 0.000 0.648 630 V HN 0.570 nan 8.190 nan 0.000 0.447 631 N N -0.252 118.392 118.700 -0.094 0.000 2.520 631 N HA -0.095 4.640 4.740 -0.008 0.000 0.185 631 N C 1.146 176.398 175.510 -0.430 0.000 1.068 631 N CA 0.924 53.821 53.050 -0.256 0.000 0.911 631 N CB -0.274 38.006 38.487 -0.346 0.000 0.961 631 N HN 0.681 nan 8.380 nan 0.000 0.446 632 H N -1.349 117.718 119.070 -0.005 0.000 2.674 632 H HA 0.209 4.760 4.556 -0.008 0.000 0.274 632 H C -0.555 174.782 175.328 0.014 0.000 1.121 632 H CA -0.492 55.554 56.048 -0.004 0.000 1.132 632 H CB 0.522 30.277 29.762 -0.012 0.000 1.606 632 H HN -0.010 nan 8.280 nan 0.000 0.558 633 D N 1.565 122.033 120.400 0.112 0.000 2.347 633 D HA 0.058 4.693 4.640 -0.008 0.000 0.235 633 D C -1.654 174.692 176.300 0.077 0.000 1.149 633 D CA -2.071 52.008 54.000 0.132 0.000 0.850 633 D CB 1.675 42.632 40.800 0.261 0.000 1.061 633 D HN 0.081 nan 8.370 nan 0.000 0.487 634 P HA -0.162 nan 4.420 nan 0.000 0.216 634 P C 1.544 178.853 177.300 0.015 0.000 1.150 634 P CA 0.568 63.683 63.100 0.024 0.000 0.843 634 P CB 0.410 32.123 31.700 0.021 0.000 0.787 635 V N -0.897 119.030 119.914 0.020 0.000 2.626 635 V HA -0.156 3.959 4.120 -0.008 0.000 0.252 635 V C 2.351 178.441 176.094 -0.007 0.000 1.067 635 V CA 1.478 63.777 62.300 -0.001 0.000 1.081 635 V CB -0.952 30.861 31.823 -0.017 0.000 0.686 635 V HN -0.003 nan 8.190 nan 0.000 0.468 636 V N -0.205 119.722 119.914 0.021 0.000 2.488 636 V HA 0.164 4.279 4.120 -0.008 0.000 0.246 636 V C 1.820 177.910 176.094 -0.007 0.000 1.046 636 V CA 1.362 63.674 62.300 0.019 0.000 1.053 636 V CB -1.144 30.738 31.823 0.098 0.000 0.679 636 V HN 0.705 nan 8.190 nan 0.000 0.458 637 G N 1.818 110.612 108.800 -0.011 0.000 2.574 637 G HA2 -0.371 3.584 3.960 -0.008 0.000 0.286 637 G HA3 -0.371 3.584 3.960 -0.008 0.000 0.286 637 G C 0.228 175.101 174.900 -0.046 0.000 1.212 637 G CA 0.495 45.576 45.100 -0.031 0.000 0.979 637 G HN 0.707 nan 8.290 nan 0.000 0.557 638 D N 0.167 120.542 120.400 -0.041 0.000 2.525 638 D HA 0.288 4.923 4.640 -0.008 0.000 0.229 638 D C 1.700 177.981 176.300 -0.032 0.000 1.202 638 D CA -0.037 53.940 54.000 -0.039 0.000 0.828 638 D CB 0.017 40.801 40.800 -0.026 0.000 1.008 638 D HN 0.595 nan 8.370 nan 0.000 0.493 639 R N -0.693 119.779 120.500 -0.046 0.000 2.210 639 R HA 0.285 4.620 4.340 -0.008 0.000 0.203 639 R C -0.056 176.197 176.300 -0.078 0.000 1.010 639 R CA 0.199 56.253 56.100 -0.076 0.000 1.008 639 R CB 0.317 30.556 30.300 -0.101 0.000 0.923 639 R HN 0.114 nan 8.270 nan 0.000 0.469 640 L N 0.547 121.740 121.223 -0.051 0.000 2.543 640 L HA 0.423 4.758 4.340 -0.008 0.000 0.265 640 L C -1.697 175.148 176.870 -0.041 0.000 0.945 640 L CA -0.586 54.226 54.840 -0.047 0.000 0.869 640 L CB 1.781 43.825 42.059 -0.025 0.000 1.294 640 L HN -0.158 nan 8.230 nan 0.000 0.405 641 R N 3.844 124.311 120.500 -0.055 0.000 2.628 641 R HA 0.767 5.102 4.340 -0.008 0.000 0.288 641 R C -1.598 174.659 176.300 -0.072 0.000 0.980 641 R CA -0.802 55.259 56.100 -0.064 0.000 0.891 641 R CB 2.352 32.616 30.300 -0.060 0.000 1.188 641 R HN 0.398 nan 8.270 nan 0.000 0.450 642 V N 4.770 124.641 119.914 -0.071 0.000 2.376 642 V HA 0.436 4.551 4.120 -0.008 0.000 0.287 642 V C -0.443 175.623 176.094 -0.048 0.000 1.015 642 V CA -0.695 61.565 62.300 -0.067 0.000 0.834 642 V CB 1.465 33.244 31.823 -0.073 0.000 1.001 642 V HN 0.500 nan 8.190 nan 0.000 0.428 643 I N 5.029 125.569 120.570 -0.051 0.000 2.465 643 I HA 0.453 4.618 4.170 -0.008 0.000 0.291 643 I C -0.626 175.485 176.117 -0.009 0.000 1.014 643 I CA -0.572 60.710 61.300 -0.030 0.000 1.093 643 I CB 1.788 39.748 38.000 -0.066 0.000 1.267 643 I HN 0.536 nan 8.210 nan 0.000 0.431 644 F N 6.921 126.813 119.950 -0.096 0.000 2.385 644 F HA 0.526 5.049 4.527 -0.008 0.000 0.360 644 F C -0.500 175.242 175.800 -0.098 0.000 1.122 644 F CA -0.577 57.367 58.000 -0.095 0.000 1.090 644 F CB 0.579 39.522 39.000 -0.095 0.000 1.150 644 F HN 0.208 nan 8.300 nan 0.000 0.472 645 L N 6.084 126.929 121.223 -0.630 0.000 2.385 645 L HA 0.185 4.520 4.340 -0.008 0.000 0.281 645 L C 0.388 176.990 176.870 -0.447 0.000 1.106 645 L CA -0.056 54.547 54.840 -0.396 0.000 0.856 645 L CB 0.475 42.398 42.059 -0.227 0.000 1.186 645 L HN 0.644 nan 8.230 nan 0.000 0.453 646 E N 3.895 123.972 120.200 -0.206 0.000 2.354 646 E HA -0.045 4.301 4.350 -0.008 0.000 0.269 646 E C 0.413 177.077 176.600 0.107 0.000 1.036 646 E CA -0.357 56.049 56.400 0.010 0.000 0.876 646 E CB 0.457 30.086 29.700 -0.118 0.000 1.009 646 E HN 0.562 nan 8.360 nan 0.000 0.416 647 N N 2.661 121.483 118.700 0.202 0.000 2.738 647 N HA -0.283 4.452 4.740 -0.008 0.000 0.249 647 N C -1.513 174.103 175.510 0.176 0.000 1.047 647 N CA 0.520 53.690 53.050 0.200 0.000 0.707 647 N CB -1.589 37.034 38.487 0.226 0.000 0.937 647 N HN 0.486 nan 8.380 nan 0.000 0.545 648 Y N 1.491 121.807 120.300 0.026 0.000 2.721 648 Y HA 0.130 4.675 4.550 -0.009 0.000 0.329 648 Y C 1.151 177.076 175.900 0.041 0.000 1.211 648 Y CA 0.676 58.778 58.100 0.004 0.000 1.512 648 Y CB 0.278 38.707 38.460 -0.052 0.000 1.249 648 Y HN 0.377 nan 8.280 nan 0.000 0.549 649 R N 2.473 122.668 120.500 -0.508 0.000 2.781 649 R HA 0.492 4.827 4.340 -0.008 0.000 0.268 649 R C -0.346 175.629 176.300 -0.541 0.000 1.047 649 R CA -0.618 55.249 56.100 -0.389 0.000 0.925 649 R CB 0.346 30.615 30.300 -0.051 0.000 1.246 649 R HN 0.342 nan 8.270 nan 0.000 0.456 650 V N 1.088 120.713 119.914 -0.480 0.000 2.287 650 V HA -0.286 3.829 4.120 -0.008 0.000 0.248 650 V C 2.592 178.567 176.094 -0.199 0.000 1.053 650 V CA 2.808 64.878 62.300 -0.383 0.000 1.027 650 V CB -0.793 30.751 31.823 -0.465 0.000 0.646 650 V HN 0.935 nan 8.190 nan 0.000 0.447 651 S N 0.067 115.677 115.700 -0.149 0.000 2.399 651 S HA -0.186 4.279 4.470 -0.008 0.000 0.231 651 S C 1.911 176.470 174.600 -0.069 0.000 1.022 651 S CA 1.728 59.870 58.200 -0.097 0.000 0.983 651 S CB -0.512 62.662 63.200 -0.043 0.000 0.803 651 S HN 0.406 nan 8.310 nan 0.000 0.480 652 L N 1.683 122.872 121.223 -0.056 0.000 2.179 652 L HA 0.383 4.718 4.340 -0.008 0.000 0.208 652 L C 2.617 179.506 176.870 0.033 0.000 1.096 652 L CA 1.258 56.107 54.840 0.016 0.000 0.779 652 L CB -1.142 40.989 42.059 0.119 0.000 0.922 652 L HN 0.346 nan 8.230 nan 0.000 0.443 653 A N -0.684 122.136 122.820 -0.000 0.000 1.933 653 A HA -0.212 4.103 4.320 -0.008 0.000 0.218 653 A C 2.118 179.763 177.584 0.100 0.000 1.175 653 A CA 1.706 53.815 52.037 0.120 0.000 0.628 653 A CB -0.555 18.499 19.000 0.090 0.000 0.814 653 A HN 0.580 nan 8.150 nan 0.000 0.444 654 E N -0.373 119.867 120.200 0.067 0.000 2.265 654 E HA -0.154 4.191 4.350 -0.008 0.000 0.196 654 E C 1.843 178.408 176.600 -0.059 0.000 0.996 654 E CA 1.130 57.527 56.400 -0.005 0.000 0.832 654 E CB -0.036 29.576 29.700 -0.148 0.000 0.756 654 E HN 0.614 nan 8.360 nan 0.000 0.491 655 K N 0.015 120.361 120.400 -0.091 0.000 2.141 655 K HA 0.031 4.346 4.320 -0.008 0.000 0.202 655 K C 2.153 178.557 176.600 -0.326 0.000 1.045 655 K CA 0.417 56.628 56.287 -0.127 0.000 0.971 655 K CB 0.022 32.449 32.500 -0.122 0.000 0.795 655 K HN -0.044 nan 8.250 nan 0.000 0.459 656 V N 1.936 121.563 119.914 -0.479 0.000 2.488 656 V HA -0.123 3.992 4.120 -0.008 0.000 0.246 656 V C 1.895 177.722 176.094 -0.444 0.000 1.046 656 V CA 1.191 62.978 62.300 -0.855 0.000 1.053 656 V CB -0.164 31.281 31.823 -0.631 0.000 0.679 656 V HN 0.238 nan 8.190 nan 0.000 0.458 657 I N 0.673 121.042 120.570 -0.335 0.000 2.179 657 I HA -0.129 4.036 4.170 -0.008 0.000 0.242 657 I C -0.276 175.711 176.117 -0.217 0.000 1.088 657 I CA 1.601 62.637 61.300 -0.441 0.000 1.357 657 I CB -1.479 36.148 38.000 -0.622 0.000 1.051 657 I HN 0.366 nan 8.210 nan 0.000 0.409 658 P HA -0.101 nan 4.420 nan 0.000 0.225 658 P C 0.877 178.168 177.300 -0.015 0.000 1.148 658 P CA 1.130 64.199 63.100 -0.051 0.000 0.779 658 P CB 0.061 31.741 31.700 -0.033 0.000 0.780 659 A N -1.318 121.475 122.820 -0.045 0.000 2.308 659 A HA 0.505 4.820 4.320 -0.008 0.000 0.217 659 A C 1.112 178.805 177.584 0.182 0.000 1.216 659 A CA 0.034 52.106 52.037 0.058 0.000 0.864 659 A CB -0.554 18.488 19.000 0.071 0.000 0.902 659 A HN 0.186 nan 8.150 nan 0.000 0.499 660 A N -0.259 122.660 122.820 0.165 0.000 2.340 660 A HA 0.504 4.820 4.320 -0.008 0.000 0.268 660 A C 0.334 178.069 177.584 0.251 0.000 1.100 660 A CA -0.195 52.007 52.037 0.276 0.000 0.803 660 A CB 0.417 19.667 19.000 0.417 0.000 1.043 660 A HN 0.249 nan 8.150 nan 0.000 0.488 661 D N 0.235 120.782 120.400 0.245 0.000 2.431 661 D HA 0.136 4.771 4.640 -0.008 0.000 0.235 661 D C -0.003 176.510 176.300 0.355 0.000 0.980 661 D CA 0.688 54.879 54.000 0.318 0.000 0.912 661 D CB 0.299 41.194 40.800 0.159 0.000 1.056 661 D HN 0.358 nan 8.370 nan 0.000 0.494 662 L N 1.160 122.478 121.223 0.158 0.000 2.356 662 L HA 0.302 4.637 4.340 -0.008 0.000 0.277 662 L C -0.757 176.001 176.870 -0.188 0.000 0.996 662 L CA -0.312 54.544 54.840 0.027 0.000 0.822 662 L CB 2.060 44.104 42.059 -0.025 0.000 1.256 662 L HN -0.168 nan 8.230 nan 0.000 0.413 663 S N 4.281 119.780 115.700 -0.335 0.000 2.429 663 S HA 0.333 4.798 4.470 -0.008 0.000 0.302 663 S C -0.432 173.888 174.600 -0.467 0.000 1.115 663 S CA -0.688 57.062 58.200 -0.750 0.000 1.095 663 S CB 0.702 63.400 63.200 -0.837 0.000 0.987 663 S HN 0.554 nan 8.310 nan 0.000 0.474 664 E N 4.099 124.034 120.200 -0.442 0.000 2.089 664 E HA 0.222 4.567 4.350 -0.008 0.000 0.284 664 E C -0.578 175.901 176.600 -0.201 0.000 1.023 664 E CA -0.441 55.824 56.400 -0.224 0.000 0.819 664 E CB 1.045 30.645 29.700 -0.166 0.000 1.076 664 E HN 0.598 nan 8.360 nan 0.000 0.396 665 Q N 2.790 122.527 119.800 -0.106 0.000 3.064 665 Q HA 0.267 4.602 4.340 -0.008 0.000 0.258 665 Q C 0.579 176.562 176.000 -0.028 0.000 0.972 665 Q CA -0.130 55.626 55.803 -0.080 0.000 0.761 665 Q CB 0.295 28.998 28.738 -0.059 0.000 1.281 665 Q HN 0.618 nan 8.270 nan 0.000 0.455 666 I N -1.603 118.937 120.570 -0.049 0.000 3.736 666 I HA 0.272 4.437 4.170 -0.008 0.000 0.338 666 I C 0.402 176.464 176.117 -0.091 0.000 1.558 666 I CA -0.658 60.622 61.300 -0.034 0.000 1.147 666 I CB 0.313 38.293 38.000 -0.034 0.000 1.275 666 I HN -0.004 nan 8.210 nan 0.000 0.454 667 S N 0.348 115.994 115.700 -0.089 0.000 2.579 667 S HA 0.203 4.668 4.470 -0.008 0.000 0.275 667 S C 0.560 175.136 174.600 -0.041 0.000 1.345 667 S CA -0.322 57.841 58.200 -0.061 0.000 1.031 667 S CB 0.433 63.644 63.200 0.019 0.000 0.892 667 S HN 0.387 nan 8.310 nan 0.000 0.529 668 T N 2.656 117.216 114.554 0.010 0.000 2.902 668 T HA 0.391 4.736 4.350 -0.008 0.000 0.301 668 T C 0.748 175.455 174.700 0.011 0.000 1.012 668 T CA 0.215 62.331 62.100 0.028 0.000 1.151 668 T CB 0.044 69.002 68.868 0.151 0.000 0.946 668 T HN 1.006 nan 8.240 nan 0.000 0.542 669 A N 2.672 125.470 122.820 -0.037 0.000 2.580 669 A HA 0.440 4.755 4.320 -0.008 0.000 0.244 669 A C 1.638 179.216 177.584 -0.011 0.000 1.045 669 A CA 0.317 52.330 52.037 -0.041 0.000 0.761 669 A CB -0.931 18.033 19.000 -0.060 0.000 0.962 669 A HN 1.741 nan 8.150 nan 0.000 0.512 670 G N 1.456 110.247 108.800 -0.014 0.000 2.157 670 G HA2 -0.232 3.723 3.960 -0.008 0.000 0.239 670 G HA3 -0.232 3.723 3.960 -0.008 0.000 0.239 670 G C 0.801 175.688 174.900 -0.022 0.000 0.982 670 G CA 1.143 46.236 45.100 -0.010 0.000 0.650 670 G HN 2.006 nan 8.290 nan 0.000 0.527 671 T N -2.746 111.789 114.554 -0.032 0.000 3.018 671 T HA 0.417 4.762 4.350 -0.008 0.000 0.246 671 T C 0.710 175.244 174.700 -0.277 0.000 1.026 671 T CA 0.997 63.009 62.100 -0.147 0.000 1.081 671 T CB 0.604 69.422 68.868 -0.083 0.000 0.970 671 T HN 0.270 nan 8.240 nan 0.000 0.475 672 E N 1.572 121.742 120.200 -0.051 0.000 2.044 672 E HA 0.674 5.019 4.350 -0.008 0.000 0.282 672 E C 1.181 177.726 176.600 -0.092 0.000 1.031 672 E CA 0.035 56.450 56.400 0.025 0.000 0.824 672 E CB 0.786 30.558 29.700 0.120 0.000 1.076 672 E HN 0.332 nan 8.360 nan 0.000 0.395 673 A N 3.404 126.094 122.820 -0.217 0.000 1.903 673 A HA -0.238 4.077 4.320 -0.008 0.000 0.219 673 A C 1.973 179.423 177.584 -0.223 0.000 1.191 673 A CA 2.366 54.140 52.037 -0.437 0.000 0.638 673 A CB -0.269 18.276 19.000 -0.760 0.000 0.823 673 A HN 0.607 nan 8.150 nan 0.000 0.451 674 S N -4.103 111.532 115.700 -0.109 0.000 4.193 674 S HA 0.455 4.920 4.470 -0.008 0.000 0.211 674 S C 0.651 175.240 174.600 -0.018 0.000 1.162 674 S CA 1.386 59.567 58.200 -0.031 0.000 1.039 674 S CB -0.081 63.125 63.200 0.009 0.000 1.371 674 S HN 2.308 nan 8.310 nan 0.000 0.550 675 G N 0.279 109.073 108.800 -0.010 0.000 2.719 675 G HA2 -0.015 3.940 3.960 -0.008 0.000 0.686 675 G HA3 -0.015 3.940 3.960 -0.008 0.000 0.686 675 G C 0.223 175.103 174.900 -0.032 0.000 1.201 675 G CA 0.454 45.545 45.100 -0.015 0.000 0.768 675 G HN 1.317 nan 8.290 nan 0.000 0.629 676 T N -2.023 112.497 114.554 -0.056 0.000 3.010 676 T HA 0.373 4.718 4.350 -0.008 0.000 0.253 676 T C 2.373 176.975 174.700 -0.163 0.000 0.939 676 T CA 1.258 63.297 62.100 -0.102 0.000 0.910 676 T CB 0.274 69.072 68.868 -0.117 0.000 1.226 676 T HN 1.889 nan 8.240 nan 0.000 0.508 677 G N 3.107 111.838 108.800 -0.115 0.000 2.442 677 G HA2 -0.259 3.696 3.960 -0.008 0.000 0.219 677 G HA3 -0.259 3.696 3.960 -0.008 0.000 0.219 677 G C 1.461 176.411 174.900 0.084 0.000 1.141 677 G CA 1.165 46.219 45.100 -0.077 0.000 0.763 677 G HN 0.830 nan 8.290 nan 0.000 0.554 678 N N 0.169 118.894 118.700 0.042 0.000 2.094 678 N HA -0.163 4.572 4.740 -0.008 0.000 0.191 678 N C 2.211 177.723 175.510 0.002 0.000 1.023 678 N CA 1.388 54.463 53.050 0.042 0.000 0.857 678 N CB -0.364 38.102 38.487 -0.035 0.000 1.013 678 N HN 0.349 nan 8.380 nan 0.000 0.426 679 M N 0.803 120.340 119.600 -0.106 0.000 2.175 679 M HA -0.030 4.445 4.480 -0.008 0.000 0.264 679 M C 2.001 178.252 176.300 -0.082 0.000 1.063 679 M CA 1.447 56.666 55.300 -0.136 0.000 1.119 679 M CB -0.098 32.429 32.600 -0.122 0.000 1.377 679 M HN 0.111 nan 8.290 nan 0.000 0.415 680 K N 0.058 120.341 120.400 -0.195 0.000 2.057 680 K HA -0.115 4.200 4.320 -0.008 0.000 0.207 680 K C 1.707 178.195 176.600 -0.187 0.000 1.049 680 K CA 1.391 57.499 56.287 -0.298 0.000 0.931 680 K CB -0.302 31.788 32.500 -0.683 0.000 0.714 680 K HN 0.156 nan 8.250 nan 0.000 0.440 681 F N 1.108 120.987 119.950 -0.119 0.000 2.186 681 F HA -0.105 4.417 4.527 -0.009 0.000 0.299 681 F C 2.557 178.330 175.800 -0.044 0.000 1.090 681 F CA 1.160 59.115 58.000 -0.074 0.000 1.307 681 F CB -0.272 38.674 39.000 -0.091 0.000 1.019 681 F HN -0.008 nan 8.300 nan 0.000 0.489 682 M N -0.475 119.210 119.600 0.143 0.000 2.117 682 M HA -0.181 4.294 4.480 -0.008 0.000 0.262 682 M C 2.045 178.401 176.300 0.093 0.000 1.065 682 M CA 1.551 56.907 55.300 0.095 0.000 1.114 682 M CB -0.206 32.444 32.600 0.083 0.000 1.361 682 M HN 0.261 nan 8.290 nan 0.000 0.408 683 L N 0.721 121.995 121.223 0.086 0.000 2.376 683 L HA -0.040 4.295 4.340 -0.008 0.000 0.219 683 L C 1.189 178.105 176.870 0.077 0.000 1.133 683 L CA 1.477 56.375 54.840 0.096 0.000 0.816 683 L CB -0.521 41.605 42.059 0.113 0.000 0.933 683 L HN 0.330 nan 8.230 nan 0.000 0.449 684 N N -0.133 118.603 118.700 0.059 0.000 2.251 684 N HA 0.186 4.921 4.740 -0.008 0.000 0.217 684 N C 0.874 176.419 175.510 0.059 0.000 1.124 684 N CA 0.776 53.854 53.050 0.046 0.000 0.843 684 N CB 0.607 39.098 38.487 0.006 0.000 1.024 684 N HN 0.394 nan 8.380 nan 0.000 0.501 685 G N 0.400 109.240 108.800 0.067 0.000 2.132 685 G HA2 -0.201 3.754 3.960 -0.008 0.000 0.228 685 G HA3 -0.201 3.754 3.960 -0.008 0.000 0.228 685 G C -0.003 174.965 174.900 0.115 0.000 1.000 685 G CA 0.140 45.282 45.100 0.069 0.000 0.693 685 G HN 0.532 nan 8.290 nan 0.000 0.515 686 A N -0.268 122.628 122.820 0.128 0.000 2.340 686 A HA 0.886 5.201 4.320 -0.008 0.000 0.331 686 A C 0.340 177.931 177.584 0.012 0.000 1.140 686 A CA -0.644 51.487 52.037 0.157 0.000 0.801 686 A CB 1.107 20.262 19.000 0.259 0.000 1.234 686 A HN 0.673 nan 8.150 nan 0.000 0.469 687 L N 0.746 121.939 121.223 -0.050 0.000 2.421 687 L HA 0.474 4.809 4.340 -0.008 0.000 0.263 687 L C 0.193 176.933 176.870 -0.216 0.000 1.122 687 L CA -0.367 54.340 54.840 -0.223 0.000 0.804 687 L CB 1.562 43.405 42.059 -0.360 0.000 1.150 687 L HN 0.698 nan 8.230 nan 0.000 0.457 688 T N 2.489 116.785 114.554 -0.431 0.000 2.797 688 T HA 0.482 4.827 4.350 -0.008 0.000 0.279 688 T C -0.499 174.061 174.700 -0.234 0.000 0.991 688 T CA -0.275 61.548 62.100 -0.460 0.000 0.979 688 T CB 1.659 70.040 68.868 -0.812 0.000 0.943 688 T HN 0.362 nan 8.240 nan 0.000 0.444 689 I N 2.781 123.308 120.570 -0.071 0.000 2.362 689 I HA 0.735 4.900 4.170 -0.008 0.000 0.289 689 I C 0.006 176.261 176.117 0.230 0.000 0.994 689 I CA 0.045 61.421 61.300 0.127 0.000 1.158 689 I CB 0.415 38.419 38.000 0.008 0.000 1.315 689 I HN 0.798 nan 8.210 nan 0.000 0.451 690 G N 3.933 112.955 108.800 0.368 0.000 2.559 690 G HA2 0.445 4.400 3.960 -0.008 0.000 0.291 690 G HA3 0.445 4.400 3.960 -0.008 0.000 0.291 690 G C -0.953 173.895 174.900 -0.087 0.000 1.424 690 G CA -0.346 44.892 45.100 0.231 0.000 0.786 690 G HN 0.579 nan 8.290 nan 0.000 0.485 691 T N -1.521 112.858 114.554 -0.292 0.000 2.902 691 T HA 0.529 4.874 4.350 -0.008 0.000 0.280 691 T C 0.714 175.308 174.700 -0.177 0.000 0.992 691 T CA -0.693 61.154 62.100 -0.422 0.000 1.015 691 T CB 1.202 69.827 68.868 -0.404 0.000 1.044 691 T HN 0.266 nan 8.240 nan 0.000 0.520 692 M N 2.842 122.345 119.600 -0.160 0.000 3.436 692 M HA 0.312 4.787 4.480 -0.008 0.000 0.240 692 M C -0.448 175.804 176.300 -0.079 0.000 1.469 692 M CA -0.058 55.185 55.300 -0.096 0.000 1.622 692 M CB -1.728 30.821 32.600 -0.084 0.000 1.098 692 M HN 0.723 nan 8.290 nan 0.000 0.568 693 D N -0.121 120.238 120.400 -0.067 0.000 2.527 693 D HA 0.676 5.311 4.640 -0.008 0.000 0.233 693 D C 0.785 177.066 176.300 -0.032 0.000 1.063 693 D CA 0.682 54.655 54.000 -0.046 0.000 0.880 693 D CB 1.762 42.535 40.800 -0.045 0.000 1.457 693 D HN 0.588 nan 8.370 nan 0.000 0.475 694 G N 1.745 110.534 108.800 -0.019 0.000 2.627 694 G HA2 -0.279 3.676 3.960 -0.008 0.000 0.312 694 G HA3 -0.279 3.676 3.960 -0.008 0.000 0.312 694 G C 1.046 175.942 174.900 -0.007 0.000 1.299 694 G CA 1.203 46.297 45.100 -0.011 0.000 0.989 694 G HN 1.041 nan 8.290 nan 0.000 0.547 695 A N -0.316 122.496 122.820 -0.013 0.000 2.168 695 A HA 0.091 4.406 4.320 -0.008 0.000 0.215 695 A C 2.112 179.642 177.584 -0.090 0.000 1.152 695 A CA 1.847 53.873 52.037 -0.018 0.000 0.716 695 A CB -0.442 18.539 19.000 -0.031 0.000 0.794 695 A HN 0.610 nan 8.150 nan 0.000 0.465 696 N N 0.501 119.156 118.700 -0.074 0.000 2.149 696 N HA -0.149 4.586 4.740 -0.008 0.000 0.188 696 N C 1.596 177.006 175.510 -0.167 0.000 1.019 696 N CA 1.586 54.594 53.050 -0.071 0.000 0.857 696 N CB -0.593 37.900 38.487 0.009 0.000 0.997 696 N HN 0.291 nan 8.380 nan 0.000 0.426 697 V N 1.313 121.162 119.914 -0.108 0.000 2.287 697 V HA -0.214 3.901 4.120 -0.008 0.000 0.248 697 V C 1.962 177.989 176.094 -0.112 0.000 1.053 697 V CA 1.687 63.919 62.300 -0.113 0.000 1.027 697 V CB -0.485 31.302 31.823 -0.060 0.000 0.646 697 V HN 0.357 nan 8.190 nan 0.000 0.447 698 E N -0.631 119.554 120.200 -0.025 0.000 2.152 698 E HA -0.129 4.216 4.350 -0.008 0.000 0.192 698 E C 2.207 178.900 176.600 0.155 0.000 0.983 698 E CA 1.017 57.471 56.400 0.090 0.000 0.818 698 E CB -0.178 29.659 29.700 0.229 0.000 0.758 698 E HN 0.542 nan 8.360 nan 0.000 0.467 699 M N 0.487 120.065 119.600 -0.037 0.000 2.086 699 M HA -0.135 4.340 4.480 -0.008 0.000 0.261 699 M C 2.489 178.498 176.300 -0.485 0.000 1.067 699 M CA 1.529 56.716 55.300 -0.189 0.000 1.116 699 M CB -0.173 32.200 32.600 -0.378 0.000 1.348 699 M HN 0.138 nan 8.290 nan 0.000 0.407 700 A N -0.179 122.099 122.820 -0.903 0.000 1.933 700 A HA -0.216 4.099 4.320 -0.008 0.000 0.218 700 A C 1.975 179.333 177.584 -0.376 0.000 1.175 700 A CA 1.942 53.391 52.037 -0.980 0.000 0.628 700 A CB -0.781 17.748 19.000 -0.784 0.000 0.814 700 A HN 0.582 nan 8.150 nan 0.000 0.444 701 E N -0.394 119.670 120.200 -0.227 0.000 2.077 701 E HA -0.208 4.137 4.350 -0.008 0.000 0.193 701 E C 1.803 178.365 176.600 -0.065 0.000 0.989 701 E CA 1.248 57.583 56.400 -0.109 0.000 0.800 701 E CB -0.060 29.601 29.700 -0.066 0.000 0.746 701 E HN 0.553 nan 8.360 nan 0.000 0.452 702 E N 0.044 120.230 120.200 -0.022 0.000 2.072 702 E HA -0.130 4.215 4.350 -0.008 0.000 0.191 702 E C 1.857 178.469 176.600 0.019 0.000 0.985 702 E CA 1.107 57.518 56.400 0.019 0.000 0.801 702 E CB -0.150 29.613 29.700 0.105 0.000 0.750 702 E HN 0.357 nan 8.360 nan 0.000 0.452 703 A N 0.398 123.226 122.820 0.013 0.000 2.021 703 A HA 0.329 4.644 4.320 -0.008 0.000 0.216 703 A C 1.070 178.660 177.584 0.010 0.000 1.163 703 A CA 1.132 53.196 52.037 0.045 0.000 0.676 703 A CB 0.043 19.127 19.000 0.139 0.000 0.818 703 A HN 0.255 nan 8.150 nan 0.000 0.453 704 G N -0.539 108.237 108.800 -0.040 0.000 3.225 704 G HA2 -0.066 3.889 3.960 -0.008 0.000 0.686 704 G HA3 -0.066 3.889 3.960 -0.008 0.000 0.686 704 G C -0.057 174.816 174.900 -0.045 0.000 1.105 704 G CA -0.010 45.066 45.100 -0.041 0.000 0.831 704 G HN 0.233 nan 8.290 nan 0.000 0.578 705 E N 0.966 121.130 120.200 -0.060 0.000 2.209 705 E HA -0.183 4.162 4.350 -0.008 0.000 0.196 705 E C 1.971 178.554 176.600 -0.028 0.000 0.993 705 E CA 1.761 58.136 56.400 -0.042 0.000 0.819 705 E CB 0.084 29.759 29.700 -0.042 0.000 0.745 705 E HN 0.768 nan 8.360 nan 0.000 0.477 706 E N 0.719 120.891 120.200 -0.046 0.000 2.338 706 E HA -0.084 4.261 4.350 -0.008 0.000 0.197 706 E C 0.960 177.474 176.600 -0.143 0.000 1.007 706 E CA 0.603 56.955 56.400 -0.080 0.000 0.849 706 E CB -0.028 29.637 29.700 -0.058 0.000 0.774 706 E HN 0.163 nan 8.360 nan 0.000 0.506 707 N N -0.341 118.305 118.700 -0.090 0.000 2.251 707 N HA 0.144 4.879 4.740 -0.008 0.000 0.217 707 N C -0.933 174.517 175.510 -0.101 0.000 1.124 707 N CA 0.086 53.060 53.050 -0.126 0.000 0.843 707 N CB 0.387 38.855 38.487 -0.033 0.000 1.024 707 N HN 0.045 nan 8.380 nan 0.000 0.501 708 F N -0.442 119.291 119.950 -0.362 0.000 2.588 708 F HA 0.421 4.943 4.527 -0.009 0.000 0.314 708 F C -0.769 174.791 175.800 -0.400 0.000 1.069 708 F CA -1.158 56.666 58.000 -0.294 0.000 0.931 708 F CB 1.323 40.247 39.000 -0.128 0.000 1.260 708 F HN -0.224 nan 8.300 nan 0.000 0.465 709 F N 5.022 124.977 119.950 0.007 0.000 2.318 709 F HA 0.380 4.902 4.527 -0.008 0.000 0.356 709 F C -0.287 175.636 175.800 0.205 0.000 1.109 709 F CA -0.588 57.450 58.000 0.064 0.000 1.234 709 F CB -0.042 38.942 39.000 -0.027 0.000 1.545 709 F HN -0.017 nan 8.300 nan 0.000 0.534 710 I N 3.822 124.591 120.570 0.331 0.000 2.440 710 I HA 0.362 4.527 4.170 -0.008 0.000 0.294 710 I C -0.072 176.235 176.117 0.316 0.000 0.995 710 I CA -0.638 60.828 61.300 0.277 0.000 1.306 710 I CB 0.651 38.739 38.000 0.146 0.000 1.407 710 I HN 0.343 nan 8.210 nan 0.000 0.501 711 F N 2.357 122.371 119.950 0.107 0.000 2.711 711 F HA 0.845 5.366 4.527 -0.009 0.000 0.313 711 F C -0.025 175.815 175.800 0.066 0.000 1.141 711 F CA -0.505 57.549 58.000 0.089 0.000 0.941 711 F CB 1.060 40.126 39.000 0.111 0.000 1.349 711 F HN 0.818 nan 8.300 nan 0.000 0.464 712 G N 0.938 109.769 108.800 0.052 0.000 2.796 712 G HA2 -0.077 3.878 3.960 -0.008 0.000 0.571 712 G HA3 -0.077 3.878 3.960 -0.008 0.000 0.571 712 G C -0.853 174.006 174.900 -0.069 0.000 1.370 712 G CA -0.574 44.490 45.100 -0.061 0.000 0.856 712 G HN 0.958 nan 8.290 nan 0.000 0.538 713 M N 0.710 120.283 119.600 -0.045 0.000 2.252 713 M HA 0.271 4.746 4.480 -0.008 0.000 0.333 713 M C 1.145 177.408 176.300 -0.061 0.000 1.111 713 M CA 0.071 55.357 55.300 -0.024 0.000 1.140 713 M CB 0.344 32.941 32.600 -0.005 0.000 1.538 713 M HN 0.512 nan 8.290 nan 0.000 0.448 714 R N 1.443 121.922 120.500 -0.035 0.000 2.607 714 R HA 0.320 4.655 4.340 -0.008 0.000 0.261 714 R C 1.183 177.464 176.300 -0.030 0.000 1.051 714 R CA -0.603 55.472 56.100 -0.042 0.000 1.110 714 R CB 0.203 30.487 30.300 -0.028 0.000 1.158 714 R HN 0.573 nan 8.270 nan 0.000 0.543 715 V N 1.537 121.432 119.914 -0.031 0.000 2.324 715 V HA -0.285 3.830 4.120 -0.008 0.000 0.250 715 V C 1.807 177.892 176.094 -0.015 0.000 1.060 715 V CA 2.059 64.344 62.300 -0.024 0.000 1.042 715 V CB -0.455 31.352 31.823 -0.026 0.000 0.650 715 V HN 0.628 nan 8.190 nan 0.000 0.450 716 E N 0.108 120.301 120.200 -0.012 0.000 2.110 716 E HA -0.177 4.168 4.350 -0.008 0.000 0.193 716 E C 1.958 178.563 176.600 0.007 0.000 0.988 716 E CA 1.323 57.721 56.400 -0.004 0.000 0.804 716 E CB -0.391 29.307 29.700 -0.003 0.000 0.745 716 E HN 0.631 nan 8.360 nan 0.000 0.458 717 D N -0.209 120.197 120.400 0.010 0.000 2.144 717 D HA -0.090 4.545 4.640 -0.008 0.000 0.200 717 D C 1.956 178.273 176.300 0.028 0.000 0.978 717 D CA 0.782 54.798 54.000 0.027 0.000 0.833 717 D CB -0.036 40.782 40.800 0.031 0.000 0.961 717 D HN 0.064 nan 8.370 nan 0.000 0.470 718 V N 1.932 121.851 119.914 0.008 0.000 2.343 718 V HA -0.203 3.912 4.120 -0.008 0.000 0.247 718 V C 2.013 178.111 176.094 0.006 0.000 1.051 718 V CA 1.609 63.908 62.300 -0.003 0.000 1.036 718 V CB -0.367 31.445 31.823 -0.019 0.000 0.654 718 V HN 0.060 nan 8.190 nan 0.000 0.451 719 D N 0.043 120.446 120.400 0.006 0.000 2.097 719 D HA -0.162 4.473 4.640 -0.008 0.000 0.195 719 D C 2.402 178.716 176.300 0.024 0.000 0.989 719 D CA 1.326 55.331 54.000 0.009 0.000 0.827 719 D CB -0.244 40.558 40.800 0.002 0.000 0.966 719 D HN 0.402 nan 8.370 nan 0.000 0.456 720 R N 0.344 120.863 120.500 0.031 0.000 2.091 720 R HA -0.068 4.267 4.340 -0.008 0.000 0.238 720 R C 2.589 178.927 176.300 0.064 0.000 1.136 720 R CA 0.578 56.705 56.100 0.043 0.000 0.959 720 R CB -0.444 29.884 30.300 0.046 0.000 0.856 720 R HN 0.202 nan 8.270 nan 0.000 0.437 721 L N 0.781 122.052 121.223 0.079 0.000 2.083 721 L HA -0.214 4.121 4.340 -0.008 0.000 0.209 721 L C 1.540 178.480 176.870 0.116 0.000 1.083 721 L CA 1.356 56.270 54.840 0.125 0.000 0.752 721 L CB -0.290 41.858 42.059 0.148 0.000 0.899 721 L HN 0.250 nan 8.230 nan 0.000 0.433 722 D N -0.881 119.561 120.400 0.071 0.000 2.178 722 D HA -0.163 4.472 4.640 -0.008 0.000 0.202 722 D C 2.278 178.612 176.300 0.056 0.000 0.974 722 D CA 0.765 54.800 54.000 0.060 0.000 0.841 722 D CB -0.007 40.807 40.800 0.024 0.000 0.953 722 D HN 0.372 nan 8.370 nan 0.000 0.478 723 Q N 0.540 120.368 119.800 0.048 0.000 2.050 723 Q HA -0.129 4.206 4.340 -0.008 0.000 0.202 723 Q C 2.247 178.276 176.000 0.048 0.000 0.980 723 Q CA 0.909 56.736 55.803 0.040 0.000 0.840 723 Q CB -0.381 28.377 28.738 0.034 0.000 0.898 723 Q HN 0.313 nan 8.270 nan 0.000 0.424 724 R N 0.097 120.633 120.500 0.061 0.000 2.090 724 R HA 0.003 4.338 4.340 -0.008 0.000 0.228 724 R C -0.009 176.334 176.300 0.073 0.000 1.110 724 R CA 1.092 57.230 56.100 0.064 0.000 0.973 724 R CB 0.139 30.483 30.300 0.074 0.000 0.869 724 R HN 0.359 nan 8.270 nan 0.000 0.440 725 G N 0.001 108.861 108.800 0.099 0.000 3.363 725 G HA2 -0.234 3.721 3.960 -0.008 0.000 0.685 725 G HA3 -0.234 3.721 3.960 -0.008 0.000 0.685 725 G C -1.423 173.579 174.900 0.169 0.000 1.199 725 G CA -0.444 44.724 45.100 0.113 0.000 0.946 725 G HN 0.287 nan 8.290 nan 0.000 0.558 726 Y N 3.828 124.169 120.300 0.068 0.000 2.480 726 Y HA 0.556 5.101 4.550 -0.008 0.000 0.341 726 Y C 0.334 176.302 175.900 0.113 0.000 1.031 726 Y CA -0.897 57.263 58.100 0.100 0.000 1.295 726 Y CB 0.920 39.418 38.460 0.063 0.000 1.162 726 Y HN 0.550 nan 8.280 nan 0.000 0.523 727 N N 5.288 123.779 118.700 -0.348 0.000 2.626 727 N HA 0.261 4.996 4.740 -0.008 0.000 0.249 727 N C 0.216 175.502 175.510 -0.374 0.000 1.021 727 N CA 0.370 53.236 53.050 -0.308 0.000 0.886 727 N CB 1.499 39.930 38.487 -0.094 0.000 1.149 727 N HN 0.886 nan 8.380 nan 0.000 0.517 728 A N 2.949 125.437 122.820 -0.554 0.000 1.978 728 A HA -0.223 4.092 4.320 -0.008 0.000 0.220 728 A C 1.930 179.658 177.584 0.240 0.000 1.170 728 A CA 1.473 53.435 52.037 -0.125 0.000 0.636 728 A CB -0.345 18.526 19.000 -0.214 0.000 0.810 728 A HN 0.731 nan 8.150 nan 0.000 0.448 729 Q N 0.297 120.135 119.800 0.063 0.000 2.152 729 Q HA -0.253 4.082 4.340 -0.008 0.000 0.206 729 Q C 1.879 177.961 176.000 0.136 0.000 0.985 729 Q CA 2.420 58.271 55.803 0.081 0.000 0.863 729 Q CB -0.399 28.343 28.738 0.006 0.000 0.904 729 Q HN 0.783 nan 8.270 nan 0.000 0.422 730 E N -1.431 118.798 120.200 0.049 0.000 2.058 730 E HA -0.243 4.102 4.350 -0.008 0.000 0.194 730 E C 1.603 178.148 176.600 -0.091 0.000 0.997 730 E CA 1.513 57.871 56.400 -0.071 0.000 0.801 730 E CB -0.256 29.308 29.700 -0.226 0.000 0.746 730 E HN 0.603 nan 8.360 nan 0.000 0.450 731 Y N -1.097 119.265 120.300 0.103 0.000 2.242 731 Y HA -0.199 4.346 4.550 -0.008 0.000 0.291 731 Y C 2.199 178.092 175.900 -0.012 0.000 1.137 731 Y CA 1.479 59.624 58.100 0.075 0.000 1.181 731 Y CB -0.641 37.908 38.460 0.149 0.000 0.989 731 Y HN 0.250 nan 8.280 nan 0.000 0.527 732 Y N 1.252 121.577 120.300 0.041 0.000 2.224 732 Y HA -0.238 4.307 4.550 -0.008 0.000 0.289 732 Y C 1.749 177.614 175.900 -0.059 0.000 1.146 732 Y CA 1.749 59.798 58.100 -0.085 0.000 1.182 732 Y CB -0.355 38.104 38.460 -0.001 0.000 0.983 732 Y HN 0.078 nan 8.280 nan 0.000 0.524 733 D N -0.318 120.196 120.400 0.191 0.000 2.224 733 D HA -0.069 4.566 4.640 -0.008 0.000 0.205 733 D C 1.756 178.042 176.300 -0.023 0.000 0.965 733 D CA 1.049 55.103 54.000 0.089 0.000 0.852 733 D CB -0.080 40.780 40.800 0.101 0.000 0.947 733 D HN 0.480 nan 8.370 nan 0.000 0.494 734 R N -0.129 120.350 120.500 -0.035 0.000 2.334 734 R HA 0.290 4.625 4.340 -0.008 0.000 0.212 734 R C 0.388 176.663 176.300 -0.042 0.000 0.897 734 R CA 0.086 56.161 56.100 -0.042 0.000 1.056 734 R CB 1.207 31.477 30.300 -0.049 0.000 1.046 734 R HN 0.128 nan 8.270 nan 0.000 0.513 735 I N 1.943 122.467 120.570 -0.077 0.000 2.464 735 I HA 0.221 4.386 4.170 -0.008 0.000 0.277 735 I C -1.968 174.051 176.117 -0.162 0.000 1.040 735 I CA -2.347 58.910 61.300 -0.072 0.000 1.153 735 I CB 2.115 40.102 38.000 -0.021 0.000 1.274 735 I HN -0.298 nan 8.210 nan 0.000 0.469 736 P HA -0.211 nan 4.420 nan 0.000 0.216 736 P C 1.208 178.410 177.300 -0.163 0.000 1.157 736 P CA 1.561 64.571 63.100 -0.150 0.000 0.880 736 P CB 0.290 31.936 31.700 -0.091 0.000 0.791 737 E N -1.151 118.990 120.200 -0.098 0.000 2.110 737 E HA -0.186 4.159 4.350 -0.008 0.000 0.193 737 E C 1.892 178.387 176.600 -0.173 0.000 0.988 737 E CA 0.768 57.123 56.400 -0.076 0.000 0.804 737 E CB -0.622 29.102 29.700 0.040 0.000 0.745 737 E HN 0.117 nan 8.360 nan 0.000 0.458 738 L N 1.275 122.311 121.223 -0.311 0.000 2.056 738 L HA -0.131 4.204 4.340 -0.008 0.000 0.207 738 L C 2.350 178.930 176.870 -0.485 0.000 1.078 738 L CA 1.650 56.138 54.840 -0.587 0.000 0.749 738 L CB -0.347 41.218 42.059 -0.823 0.000 0.901 738 L HN -0.087 nan 8.230 nan 0.000 0.433 739 R N -0.748 119.436 120.500 -0.526 0.000 2.091 739 R HA -0.253 4.082 4.340 -0.008 0.000 0.238 739 R C 2.389 178.494 176.300 -0.325 0.000 1.136 739 R CA 2.010 57.700 56.100 -0.683 0.000 0.959 739 R CB -0.354 29.484 30.300 -0.771 0.000 0.856 739 R HN 0.651 nan 8.270 nan 0.000 0.437 740 Q N 0.481 120.139 119.800 -0.237 0.000 2.096 740 Q HA -0.187 4.149 4.340 -0.008 0.000 0.204 740 Q C 2.054 177.990 176.000 -0.107 0.000 0.982 740 Q CA 2.010 57.725 55.803 -0.147 0.000 0.850 740 Q CB -0.134 28.523 28.738 -0.135 0.000 0.901 740 Q HN 0.485 nan 8.270 nan 0.000 0.422 741 I N 0.166 120.668 120.570 -0.114 0.000 2.179 741 I HA -0.280 3.885 4.170 -0.008 0.000 0.242 741 I C 2.027 178.152 176.117 0.013 0.000 1.088 741 I CA 0.778 62.049 61.300 -0.048 0.000 1.357 741 I CB -0.232 37.718 38.000 -0.084 0.000 1.051 741 I HN 0.256 nan 8.210 nan 0.000 0.409 742 I N 0.768 121.345 120.570 0.011 0.000 2.286 742 I HA -0.246 3.919 4.170 -0.008 0.000 0.248 742 I C 2.420 178.627 176.117 0.149 0.000 1.115 742 I CA 1.549 62.926 61.300 0.129 0.000 1.392 742 I CB -0.574 37.590 38.000 0.272 0.000 1.065 742 I HN 0.207 nan 8.210 nan 0.000 0.418 743 E N -0.237 120.029 120.200 0.109 0.000 2.152 743 E HA -0.224 4.121 4.350 -0.008 0.000 0.192 743 E C 2.135 178.793 176.600 0.098 0.000 0.983 743 E CA 0.805 57.269 56.400 0.106 0.000 0.818 743 E CB -0.145 29.592 29.700 0.062 0.000 0.758 743 E HN 0.604 nan 8.360 nan 0.000 0.467 744 Q N 0.476 120.315 119.800 0.066 0.000 2.079 744 Q HA -0.098 4.237 4.340 -0.008 0.000 0.200 744 Q C 2.343 178.502 176.000 0.265 0.000 0.974 744 Q CA 0.893 56.743 55.803 0.078 0.000 0.840 744 Q CB -0.005 28.671 28.738 -0.103 0.000 0.898 744 Q HN 0.291 nan 8.270 nan 0.000 0.430 745 L N 0.004 121.391 121.223 0.273 0.000 2.027 745 L HA -0.174 4.161 4.340 -0.008 0.000 0.206 745 L C 2.408 179.448 176.870 0.284 0.000 1.074 745 L CA 0.991 56.014 54.840 0.304 0.000 0.745 745 L CB -0.325 41.833 42.059 0.165 0.000 0.898 745 L HN 0.138 nan 8.230 nan 0.000 0.433 746 S N -0.383 115.443 115.700 0.210 0.000 2.402 746 S HA -0.139 4.326 4.470 -0.008 0.000 0.229 746 S C 2.093 176.791 174.600 0.163 0.000 1.021 746 S CA 1.422 59.728 58.200 0.178 0.000 0.974 746 S CB -0.186 63.100 63.200 0.144 0.000 0.800 746 S HN 0.601 nan 8.310 nan 0.000 0.484 747 S N 0.447 116.246 115.700 0.165 0.000 2.489 747 S HA 0.310 4.775 4.470 -0.008 0.000 0.228 747 S C 1.484 176.172 174.600 0.148 0.000 0.995 747 S CA 0.736 59.020 58.200 0.140 0.000 0.934 747 S CB -0.080 63.197 63.200 0.129 0.000 0.771 747 S HN 0.795 nan 8.310 nan 0.000 0.522 748 G N 0.514 109.435 108.800 0.202 0.000 2.134 748 G HA2 -0.269 3.686 3.960 -0.008 0.000 0.209 748 G HA3 -0.269 3.686 3.960 -0.008 0.000 0.209 748 G C 0.206 175.201 174.900 0.158 0.000 0.993 748 G CA 0.099 45.310 45.100 0.185 0.000 0.669 748 G HN 0.503 nan 8.290 nan 0.000 0.519 749 F N 0.479 120.431 119.950 0.004 0.000 2.161 749 F HA 0.170 4.692 4.527 -0.008 0.000 0.300 749 F C 1.825 177.433 175.800 -0.320 0.000 1.089 749 F CA 1.962 59.843 58.000 -0.197 0.000 1.282 749 F CB -0.072 38.730 39.000 -0.330 0.000 1.010 749 F HN 0.168 nan 8.300 nan 0.000 0.485 750 F N -0.377 119.736 119.950 0.271 0.000 2.727 750 F HA 0.203 4.725 4.527 -0.008 0.000 0.302 750 F C 0.721 176.634 175.800 0.188 0.000 1.097 750 F CA 0.316 58.420 58.000 0.173 0.000 1.330 750 F CB -0.125 38.959 39.000 0.140 0.000 1.084 750 F HN -0.013 nan 8.300 nan 0.000 0.578 751 S N -2.023 113.841 115.700 0.274 0.000 2.605 751 S HA 0.322 4.787 4.470 -0.008 0.000 0.142 751 S C -2.437 172.196 174.600 0.056 0.000 1.452 751 S CA -1.047 57.250 58.200 0.161 0.000 1.240 751 S CB 0.854 64.135 63.200 0.135 0.000 1.538 751 S HN -0.183 nan 8.310 nan 0.000 0.394 752 P HA -0.173 nan 4.420 nan 0.000 0.214 752 P C 1.228 178.521 177.300 -0.013 0.000 1.169 752 P CA 1.609 64.689 63.100 -0.033 0.000 0.908 752 P CB 0.068 31.723 31.700 -0.075 0.000 0.791 753 K N -1.091 119.302 120.400 -0.011 0.000 2.283 753 K HA -0.081 4.234 4.320 -0.008 0.000 0.202 753 K C 0.704 177.304 176.600 -0.000 0.000 1.048 753 K CA 0.950 57.233 56.287 -0.006 0.000 0.948 753 K CB -0.143 32.355 32.500 -0.004 0.000 0.742 753 K HN 0.366 nan 8.250 nan 0.000 0.458 754 Q N -0.323 119.477 119.800 -0.000 0.000 3.064 754 Q HA 0.149 4.484 4.340 -0.008 0.000 0.258 754 Q C -2.357 173.642 176.000 -0.002 0.000 0.972 754 Q CA -1.627 54.171 55.803 -0.008 0.000 0.761 754 Q CB 1.572 30.294 28.738 -0.026 0.000 1.281 754 Q HN -0.087 nan 8.270 nan 0.000 0.455 755 P HA -0.241 nan 4.420 nan 0.000 0.218 755 P C 0.548 177.889 177.300 0.068 0.000 1.154 755 P CA 1.618 64.749 63.100 0.053 0.000 0.872 755 P CB 0.184 31.911 31.700 0.045 0.000 0.790 756 D N -1.589 118.834 120.400 0.039 0.000 2.491 756 D HA 0.008 4.643 4.640 -0.008 0.000 0.228 756 D C 1.426 177.725 176.300 -0.002 0.000 1.183 756 D CA -0.341 53.688 54.000 0.049 0.000 0.827 756 D CB -0.847 39.983 40.800 0.049 0.000 0.989 756 D HN 0.017 nan 8.370 nan 0.000 0.494 757 L N -0.313 120.846 121.223 -0.106 0.000 2.079 757 L HA 0.006 4.341 4.340 -0.008 0.000 0.210 757 L C 0.966 177.586 176.870 -0.417 0.000 1.081 757 L CA 1.648 56.295 54.840 -0.322 0.000 0.752 757 L CB -0.542 41.153 42.059 -0.607 0.000 0.896 757 L HN 0.020 nan 8.230 nan 0.000 0.433 758 F N -0.441 119.558 119.950 0.082 0.000 2.730 758 F HA 0.157 4.679 4.527 -0.008 0.000 0.295 758 F C 1.822 177.667 175.800 0.074 0.000 1.143 758 F CA -0.176 57.861 58.000 0.062 0.000 1.367 758 F CB -0.360 38.664 39.000 0.040 0.000 0.970 758 F HN 0.099 nan 8.300 nan 0.000 0.514 759 K N -0.284 120.223 120.400 0.178 0.000 2.103 759 K HA -0.181 4.134 4.320 -0.008 0.000 0.207 759 K C 0.972 177.666 176.600 0.156 0.000 1.048 759 K CA 1.975 58.354 56.287 0.153 0.000 0.930 759 K CB -0.279 32.290 32.500 0.114 0.000 0.716 759 K HN 0.110 nan 8.250 nan 0.000 0.444 760 D N 1.381 121.884 120.400 0.172 0.000 2.144 760 D HA -0.107 4.528 4.640 -0.008 0.000 0.199 760 D C 2.116 178.507 176.300 0.152 0.000 0.984 760 D CA 1.230 55.343 54.000 0.188 0.000 0.834 760 D CB -0.133 40.816 40.800 0.247 0.000 0.955 760 D HN 0.331 nan 8.370 nan 0.000 0.465 761 I N 0.668 121.329 120.570 0.152 0.000 2.202 761 I HA -0.209 3.956 4.170 -0.008 0.000 0.242 761 I C 2.484 178.623 176.117 0.037 0.000 1.091 761 I CA 0.629 61.982 61.300 0.089 0.000 1.368 761 I CB -0.233 37.827 38.000 0.101 0.000 1.058 761 I HN -0.119 nan 8.210 nan 0.000 0.410 762 V N 1.017 120.978 119.914 0.078 0.000 2.343 762 V HA -0.312 3.803 4.120 -0.008 0.000 0.247 762 V C 2.200 178.277 176.094 -0.029 0.000 1.051 762 V CA 2.341 64.671 62.300 0.049 0.000 1.036 762 V CB -1.011 30.871 31.823 0.098 0.000 0.654 762 V HN 0.530 nan 8.190 nan 0.000 0.451 763 N N -0.477 118.236 118.700 0.022 0.000 2.120 763 N HA -0.237 4.498 4.740 -0.008 0.000 0.188 763 N C 2.031 177.439 175.510 -0.169 0.000 1.024 763 N CA 1.508 54.585 53.050 0.045 0.000 0.852 763 N CB -0.109 38.490 38.487 0.187 0.000 1.003 763 N HN 0.355 nan 8.380 nan 0.000 0.424 764 M N 1.185 120.613 119.600 -0.287 0.000 2.067 764 M HA -0.125 4.350 4.480 -0.008 0.000 0.260 764 M C 1.931 177.923 176.300 -0.513 0.000 1.069 764 M CA 1.322 56.178 55.300 -0.740 0.000 1.117 764 M CB -0.713 31.710 32.600 -0.295 0.000 1.334 764 M HN 0.260 nan 8.290 nan 0.000 0.407 765 L N -0.029 120.989 121.223 -0.341 0.000 2.079 765 L HA -0.274 4.061 4.340 -0.008 0.000 0.210 765 L C 2.573 179.097 176.870 -0.576 0.000 1.081 765 L CA 1.083 55.643 54.840 -0.466 0.000 0.752 765 L CB -0.595 41.221 42.059 -0.406 0.000 0.896 765 L HN 0.344 nan 8.230 nan 0.000 0.433 766 M N -1.642 117.687 119.600 -0.452 0.000 2.334 766 M HA -0.066 4.409 4.480 -0.008 0.000 0.266 766 M C 1.848 177.781 176.300 -0.612 0.000 1.082 766 M CA 1.601 56.579 55.300 -0.536 0.000 1.141 766 M CB -0.732 31.458 32.600 -0.684 0.000 1.380 766 M HN 0.308 nan 8.290 nan 0.000 0.440 767 H N -1.830 117.162 119.070 -0.129 0.000 3.205 767 H HA 0.196 4.747 4.556 -0.008 0.000 0.252 767 H C 0.068 175.441 175.328 0.075 0.000 1.015 767 H CA 0.587 56.628 56.048 -0.012 0.000 1.192 767 H CB 0.216 30.031 29.762 0.088 0.000 1.474 767 H HN 0.574 nan 8.280 nan 0.000 0.484 768 H N -1.467 117.659 119.070 0.094 0.000 2.823 768 H HA 0.285 4.836 4.556 -0.008 0.000 0.222 768 H C -1.288 174.063 175.328 0.037 0.000 1.414 768 H CA -0.648 55.444 56.048 0.074 0.000 1.289 768 H CB -0.043 29.765 29.762 0.075 0.000 1.970 768 H HN -0.136 nan 8.280 nan 0.000 0.517 769 D N 1.393 121.788 120.400 -0.008 0.000 2.428 769 D HA 0.157 4.792 4.640 -0.008 0.000 0.221 769 D C 0.838 177.074 176.300 -0.108 0.000 1.123 769 D CA -0.533 53.439 54.000 -0.048 0.000 0.869 769 D CB 0.797 41.545 40.800 -0.086 0.000 1.032 769 D HN 0.508 nan 8.370 nan 0.000 0.506 770 R N 2.308 122.661 120.500 -0.244 0.000 2.237 770 R HA -0.029 4.306 4.340 -0.008 0.000 0.219 770 R C 0.538 176.343 176.300 -0.826 0.000 1.080 770 R CA 0.836 56.596 56.100 -0.566 0.000 0.995 770 R CB 0.109 29.905 30.300 -0.839 0.000 0.875 770 R HN 0.404 nan 8.270 nan 0.000 0.462 771 F N 1.427 121.334 119.950 -0.072 0.000 2.654 771 F HA 0.175 4.697 4.527 -0.008 0.000 0.303 771 F C 0.134 175.806 175.800 -0.213 0.000 1.099 771 F CA -0.822 57.120 58.000 -0.097 0.000 1.270 771 F CB 0.132 39.136 39.000 0.008 0.000 1.024 771 F HN -0.133 nan 8.300 nan 0.000 0.548 772 K N -0.674 119.524 120.400 -0.336 0.000 3.834 772 K HA -0.212 4.103 4.320 -0.008 0.000 0.276 772 K C 0.585 177.067 176.600 -0.196 0.000 0.850 772 K CA 0.347 56.276 56.287 -0.598 0.000 0.704 772 K CB -2.076 29.785 32.500 -1.065 0.000 1.644 772 K HN 0.271 nan 8.250 nan 0.000 0.440 773 V N 0.795 120.669 119.914 -0.067 0.000 2.287 773 V HA -0.261 3.854 4.120 -0.008 0.000 0.248 773 V C 2.271 178.501 176.094 0.227 0.000 1.053 773 V CA 2.314 64.652 62.300 0.063 0.000 1.027 773 V CB -0.655 31.205 31.823 0.062 0.000 0.646 773 V HN 0.626 nan 8.190 nan 0.000 0.447 774 F N 0.252 120.202 119.950 -0.001 0.000 2.216 774 F HA -0.203 4.319 4.527 -0.008 0.000 0.300 774 F C 2.528 178.127 175.800 -0.336 0.000 1.085 774 F CA 0.653 58.600 58.000 -0.089 0.000 1.326 774 F CB -0.385 38.568 39.000 -0.078 0.000 1.027 774 F HN 0.208 nan 8.300 nan 0.000 0.497 775 A N -0.484 122.180 122.820 -0.260 0.000 2.019 775 A HA -0.199 4.116 4.320 -0.008 0.000 0.219 775 A C 1.441 179.030 177.584 0.008 0.000 1.164 775 A CA 1.894 53.707 52.037 -0.374 0.000 0.644 775 A CB -0.445 18.468 19.000 -0.146 0.000 0.805 775 A HN 0.237 nan 8.150 nan 0.000 0.449 776 D N -2.876 117.584 120.400 0.100 0.000 2.398 776 D HA 0.101 4.736 4.640 -0.008 0.000 0.210 776 D C 1.096 177.567 176.300 0.284 0.000 1.094 776 D CA -0.093 54.036 54.000 0.215 0.000 0.839 776 D CB -0.089 40.842 40.800 0.219 0.000 0.963 776 D HN 0.581 nan 8.370 nan 0.000 0.506 777 Y N 1.951 122.339 120.300 0.148 0.000 2.097 777 Y HA -0.214 4.331 4.550 -0.008 0.000 0.282 777 Y C 2.177 178.169 175.900 0.154 0.000 1.152 777 Y CA 1.909 60.106 58.100 0.162 0.000 1.136 777 Y CB 0.199 38.721 38.460 0.103 0.000 0.975 777 Y HN -0.103 nan 8.280 nan 0.000 0.498 778 E N -0.071 120.221 120.200 0.153 0.000 2.051 778 E HA -0.268 4.077 4.350 -0.008 0.000 0.192 778 E C 2.233 178.817 176.600 -0.026 0.000 0.991 778 E CA 1.490 57.904 56.400 0.022 0.000 0.799 778 E CB -0.181 29.625 29.700 0.178 0.000 0.748 778 E HN 0.598 nan 8.360 nan 0.000 0.449 779 E N -0.650 119.610 120.200 0.100 0.000 2.153 779 E HA -0.208 4.137 4.350 -0.008 0.000 0.194 779 E C 1.809 178.424 176.600 0.025 0.000 0.988 779 E CA 0.691 57.168 56.400 0.129 0.000 0.811 779 E CB -0.045 29.816 29.700 0.267 0.000 0.746 779 E HN 0.273 nan 8.360 nan 0.000 0.466 780 Y N 0.591 120.731 120.300 -0.267 0.000 2.133 780 Y HA -0.206 4.339 4.550 -0.008 0.000 0.287 780 Y C 2.024 177.536 175.900 -0.647 0.000 1.134 780 Y CA 1.156 58.772 58.100 -0.807 0.000 1.133 780 Y CB -0.549 37.501 38.460 -0.685 0.000 0.987 780 Y HN -0.163 nan 8.280 nan 0.000 0.502 781 V N 0.637 120.210 119.914 -0.569 0.000 2.332 781 V HA -0.330 3.785 4.120 -0.008 0.000 0.248 781 V C 2.277 178.142 176.094 -0.382 0.000 1.055 781 V CA 2.422 64.393 62.300 -0.549 0.000 1.038 781 V CB -0.632 30.900 31.823 -0.484 0.000 0.651 781 V HN 0.292 nan 8.190 nan 0.000 0.450 782 K N -0.977 119.267 120.400 -0.259 0.000 2.097 782 K HA -0.163 4.152 4.320 -0.008 0.000 0.205 782 K C 2.257 178.765 176.600 -0.155 0.000 1.050 782 K CA 1.551 57.747 56.287 -0.151 0.000 0.938 782 K CB -0.541 31.920 32.500 -0.065 0.000 0.718 782 K HN 0.547 nan 8.250 nan 0.000 0.442 783 C N 1.122 120.298 119.300 -0.206 0.000 2.446 783 C HA -0.071 4.384 4.460 -0.008 0.000 0.277 783 C C 2.520 177.323 174.990 -0.311 0.000 1.275 783 C CA 0.709 59.633 59.018 -0.156 0.000 1.727 783 C CB -0.563 27.098 27.740 -0.131 0.000 2.010 783 C HN 0.440 nan 8.230 nan 0.000 0.486 784 Q N 0.542 120.020 119.800 -0.538 0.000 2.170 784 Q HA -0.162 4.173 4.340 -0.008 0.000 0.203 784 Q C 2.003 177.801 176.000 -0.337 0.000 0.976 784 Q CA 1.590 57.035 55.803 -0.597 0.000 0.858 784 Q CB -0.378 27.767 28.738 -0.987 0.000 0.907 784 Q HN 0.767 nan 8.270 nan 0.000 0.433 785 E N 0.126 120.188 120.200 -0.231 0.000 2.106 785 E HA -0.116 4.229 4.350 -0.008 0.000 0.192 785 E C 2.030 178.582 176.600 -0.080 0.000 0.984 785 E CA 0.432 56.757 56.400 -0.124 0.000 0.806 785 E CB -0.026 29.622 29.700 -0.086 0.000 0.750 785 E HN 0.266 nan 8.360 nan 0.000 0.458 786 R N 0.522 120.982 120.500 -0.068 0.000 2.115 786 R HA -0.060 4.275 4.340 -0.008 0.000 0.230 786 R C 2.374 178.679 176.300 0.008 0.000 1.111 786 R CA 0.702 56.829 56.100 0.045 0.000 0.976 786 R CB -0.174 30.225 30.300 0.165 0.000 0.870 786 R HN 0.050 nan 8.270 nan 0.000 0.445 787 V N 0.443 120.173 119.914 -0.306 0.000 2.307 787 V HA -0.216 3.899 4.120 -0.008 0.000 0.245 787 V C 2.128 178.201 176.094 -0.035 0.000 1.045 787 V CA 1.872 63.894 62.300 -0.463 0.000 1.024 787 V CB -0.260 31.155 31.823 -0.679 0.000 0.651 787 V HN 0.273 nan 8.190 nan 0.000 0.449 788 S N 0.237 115.887 115.700 -0.082 0.000 2.382 788 S HA -0.160 4.305 4.470 -0.008 0.000 0.228 788 S C 2.211 176.863 174.600 0.086 0.000 1.027 788 S CA 1.358 59.544 58.200 -0.022 0.000 0.991 788 S CB -0.468 62.690 63.200 -0.071 0.000 0.823 788 S HN 0.646 nan 8.310 nan 0.000 0.469 789 A N 1.329 124.202 122.820 0.089 0.000 1.902 789 A HA -0.001 4.314 4.320 -0.008 0.000 0.217 789 A C 2.100 179.794 177.584 0.184 0.000 1.181 789 A CA 1.093 53.204 52.037 0.123 0.000 0.623 789 A CB -0.679 18.384 19.000 0.106 0.000 0.818 789 A HN 0.466 nan 8.150 nan 0.000 0.443 790 L N -2.148 119.243 121.223 0.279 0.000 2.109 790 L HA -0.136 4.199 4.340 -0.008 0.000 0.207 790 L C 2.465 179.600 176.870 0.442 0.000 1.086 790 L CA 1.580 56.658 54.840 0.397 0.000 0.760 790 L CB -0.361 42.045 42.059 0.579 0.000 0.910 790 L HN 0.582 nan 8.230 nan 0.000 0.437 791 Y N 1.042 121.465 120.300 0.204 0.000 2.333 791 Y HA -0.264 4.282 4.550 -0.007 0.000 0.290 791 Y C 2.313 178.144 175.900 -0.114 0.000 1.144 791 Y CA 1.573 59.544 58.100 -0.216 0.000 1.228 791 Y CB -0.070 38.076 38.460 -0.525 0.000 0.985 791 Y HN 0.070 nan 8.280 nan 0.000 0.542 792 K N -0.150 120.288 120.400 0.063 0.000 2.515 792 K HA -0.113 4.202 4.320 -0.008 0.000 0.196 792 K C 0.380 176.965 176.600 -0.025 0.000 1.038 792 K CA 0.646 56.951 56.287 0.031 0.000 0.967 792 K CB -0.078 32.487 32.500 0.108 0.000 0.780 792 K HN 0.062 nan 8.250 nan 0.000 0.483 793 N N 0.510 119.207 118.700 -0.005 0.000 2.976 793 N HA 0.135 4.870 4.740 -0.008 0.000 0.255 793 N C -2.446 173.063 175.510 -0.001 0.000 1.312 793 N CA -2.100 50.955 53.050 0.009 0.000 0.897 793 N CB 1.101 39.628 38.487 0.066 0.000 1.184 793 N HN -0.197 nan 8.380 nan 0.000 0.497 794 P HA -0.247 nan 4.420 nan 0.000 0.219 794 P C 1.411 178.721 177.300 0.016 0.000 1.161 794 P CA 1.422 64.448 63.100 -0.123 0.000 0.909 794 P CB 0.315 31.922 31.700 -0.155 0.000 0.793 795 R N -0.167 120.342 120.500 0.016 0.000 2.073 795 R HA -0.170 4.165 4.340 -0.008 0.000 0.234 795 R C 1.956 178.298 176.300 0.069 0.000 1.134 795 R CA 1.530 57.651 56.100 0.037 0.000 0.952 795 R CB -0.424 29.889 30.300 0.022 0.000 0.850 795 R HN 0.112 nan 8.270 nan 0.000 0.433 796 E N -0.140 120.112 120.200 0.086 0.000 2.208 796 E HA -0.200 4.145 4.350 -0.008 0.000 0.193 796 E C 1.585 178.262 176.600 0.128 0.000 0.988 796 E CA 0.580 57.034 56.400 0.091 0.000 0.828 796 E CB -0.378 29.374 29.700 0.086 0.000 0.763 796 E HN 0.531 nan 8.360 nan 0.000 0.478 797 W N 2.154 123.452 121.300 -0.004 0.000 2.379 797 W HA -0.147 4.507 4.660 -0.009 0.000 0.307 797 W C 1.528 178.053 176.519 0.010 0.000 1.200 797 W CA 1.905 59.263 57.345 0.022 0.000 1.297 797 W CB -0.396 29.052 29.460 -0.021 0.000 1.140 797 W HN 0.003 nan 8.180 nan 0.000 0.507 798 T N 1.380 116.077 114.554 0.239 0.000 2.788 798 T HA -0.170 4.175 4.350 -0.008 0.000 0.268 798 T C 1.850 176.558 174.700 0.012 0.000 1.044 798 T CA 1.691 63.860 62.100 0.115 0.000 1.139 798 T CB -0.269 68.647 68.868 0.081 0.000 0.867 798 T HN 0.179 nan 8.240 nan 0.000 0.454 799 R N 0.402 120.915 120.500 0.021 0.000 2.092 799 R HA 0.113 4.448 4.340 -0.008 0.000 0.231 799 R C 2.495 178.781 176.300 -0.023 0.000 1.119 799 R CA 1.106 57.216 56.100 0.017 0.000 0.970 799 R CB -0.326 29.992 30.300 0.029 0.000 0.864 799 R HN 0.368 nan 8.270 nan 0.000 0.440 800 M N 0.503 120.052 119.600 -0.084 0.000 2.175 800 M HA -0.131 4.344 4.480 -0.008 0.000 0.264 800 M C 1.950 178.157 176.300 -0.155 0.000 1.063 800 M CA 1.344 56.558 55.300 -0.143 0.000 1.119 800 M CB 0.179 32.633 32.600 -0.242 0.000 1.377 800 M HN -0.021 nan 8.290 nan 0.000 0.415 801 V N 0.946 120.743 119.914 -0.194 0.000 2.287 801 V HA -0.317 3.798 4.120 -0.008 0.000 0.248 801 V C 2.220 178.291 176.094 -0.038 0.000 1.053 801 V CA 2.005 64.223 62.300 -0.137 0.000 1.027 801 V CB -0.602 31.164 31.823 -0.096 0.000 0.646 801 V HN 0.511 nan 8.190 nan 0.000 0.447 802 I N -0.605 119.961 120.570 -0.007 0.000 2.264 802 I HA -0.278 3.887 4.170 -0.008 0.000 0.248 802 I C 2.691 178.853 176.117 0.076 0.000 1.111 802 I CA 1.495 62.836 61.300 0.069 0.000 1.382 802 I CB -0.352 37.730 38.000 0.137 0.000 1.060 802 I HN 0.195 nan 8.210 nan 0.000 0.418 803 R N 0.982 121.505 120.500 0.038 0.000 2.120 803 R HA -0.106 4.229 4.340 -0.008 0.000 0.234 803 R C 2.049 178.382 176.300 0.054 0.000 1.123 803 R CA 1.365 57.488 56.100 0.038 0.000 0.975 803 R CB -0.219 30.086 30.300 0.009 0.000 0.866 803 R HN 0.444 nan 8.270 nan 0.000 0.446 804 N N -0.260 118.466 118.700 0.044 0.000 2.109 804 N HA -0.093 4.642 4.740 -0.008 0.000 0.188 804 N C 1.791 177.361 175.510 0.101 0.000 1.034 804 N CA 1.496 54.597 53.050 0.085 0.000 0.846 804 N CB -0.045 38.470 38.487 0.046 0.000 1.010 804 N HN 0.152 nan 8.380 nan 0.000 0.425 805 I N 1.692 122.309 120.570 0.078 0.000 2.208 805 I HA -0.256 3.909 4.170 -0.008 0.000 0.245 805 I C 2.477 178.647 176.117 0.089 0.000 1.097 805 I CA 0.950 62.301 61.300 0.085 0.000 1.363 805 I CB -0.365 37.678 38.000 0.071 0.000 1.051 805 I HN 0.106 nan 8.210 nan 0.000 0.413 806 A N 0.375 123.247 122.820 0.088 0.000 2.019 806 A HA -0.167 4.148 4.320 -0.008 0.000 0.219 806 A C 2.076 179.701 177.584 0.069 0.000 1.164 806 A CA 2.086 54.168 52.037 0.074 0.000 0.644 806 A CB -0.852 18.195 19.000 0.079 0.000 0.805 806 A HN 0.544 nan 8.150 nan 0.000 0.449 807 T N -2.884 111.724 114.554 0.089 0.000 3.174 807 T HA 0.204 4.549 4.350 -0.008 0.000 0.269 807 T C 1.088 175.880 174.700 0.153 0.000 1.017 807 T CA 0.599 62.754 62.100 0.091 0.000 0.899 807 T CB -0.153 68.765 68.868 0.083 0.000 1.077 807 T HN 0.477 nan 8.240 nan 0.000 0.552 808 S N 0.045 115.855 115.700 0.183 0.000 2.593 808 S HA 0.249 4.714 4.470 -0.008 0.000 0.217 808 S C 2.211 176.944 174.600 0.223 0.000 0.966 808 S CA 0.260 58.645 58.200 0.309 0.000 0.914 808 S CB -0.604 62.749 63.200 0.255 0.000 0.776 808 S HN 0.520 nan 8.310 nan 0.000 0.523 809 G N 2.755 111.609 108.800 0.090 0.000 2.469 809 G HA2 -0.302 3.653 3.960 -0.008 0.000 0.220 809 G HA3 -0.302 3.653 3.960 -0.008 0.000 0.220 809 G C 1.325 176.181 174.900 -0.075 0.000 1.136 809 G CA 1.070 46.189 45.100 0.031 0.000 0.759 809 G HN 0.619 nan 8.290 nan 0.000 0.562 810 K N -0.119 120.121 120.400 -0.267 0.000 2.280 810 K HA -0.024 4.291 4.320 -0.008 0.000 0.202 810 K C 1.235 177.493 176.600 -0.571 0.000 1.047 810 K CA 0.689 56.679 56.287 -0.495 0.000 0.942 810 K CB -0.273 31.766 32.500 -0.769 0.000 0.739 810 K HN 0.404 nan 8.250 nan 0.000 0.457 811 F N 1.021 121.001 119.950 0.049 0.000 2.693 811 F HA 0.120 4.642 4.527 -0.009 0.000 0.303 811 F C 0.805 176.652 175.800 0.078 0.000 1.143 811 F CA -0.526 57.510 58.000 0.061 0.000 1.389 811 F CB 0.352 39.384 39.000 0.054 0.000 1.060 811 F HN -0.109 nan 8.300 nan 0.000 0.535 812 S N 0.272 116.051 115.700 0.132 0.000 2.545 812 S HA 0.081 4.546 4.470 -0.008 0.000 0.275 812 S C 1.431 176.114 174.600 0.138 0.000 1.299 812 S CA -0.250 58.029 58.200 0.133 0.000 1.048 812 S CB 0.851 64.099 63.200 0.081 0.000 0.938 812 S HN 0.340 nan 8.310 nan 0.000 0.496 813 S N 3.276 119.085 115.700 0.182 0.000 2.500 813 S HA -0.085 4.380 4.470 -0.008 0.000 0.239 813 S C 0.927 175.591 174.600 0.106 0.000 0.989 813 S CA 0.756 59.089 58.200 0.220 0.000 0.951 813 S CB -0.343 63.059 63.200 0.337 0.000 0.759 813 S HN 0.791 nan 8.310 nan 0.000 0.523 814 D N 1.793 122.236 120.400 0.072 0.000 2.144 814 D HA -0.061 4.574 4.640 -0.008 0.000 0.200 814 D C 2.114 178.421 176.300 0.013 0.000 0.978 814 D CA 0.706 54.725 54.000 0.032 0.000 0.833 814 D CB -0.305 40.510 40.800 0.025 0.000 0.961 814 D HN 0.293 nan 8.370 nan 0.000 0.470 815 R N 0.877 121.387 120.500 0.015 0.000 2.066 815 R HA -0.077 4.258 4.340 -0.008 0.000 0.232 815 R C 1.844 178.137 176.300 -0.012 0.000 1.131 815 R CA 1.331 57.425 56.100 -0.011 0.000 0.955 815 R CB -0.779 29.501 30.300 -0.034 0.000 0.851 815 R HN 0.103 nan 8.270 nan 0.000 0.432 816 T N 2.267 116.838 114.554 0.028 0.000 2.652 816 T HA -0.119 4.226 4.350 -0.008 0.000 0.267 816 T C 1.925 176.628 174.700 0.005 0.000 1.039 816 T CA 1.402 63.536 62.100 0.056 0.000 1.153 816 T CB -0.129 68.853 68.868 0.190 0.000 0.863 816 T HN 0.106 nan 8.240 nan 0.000 0.428 817 I N 1.657 122.157 120.570 -0.116 0.000 2.286 817 I HA -0.086 4.079 4.170 -0.008 0.000 0.248 817 I C 2.892 178.965 176.117 -0.073 0.000 1.115 817 I CA 0.890 62.084 61.300 -0.177 0.000 1.392 817 I CB -1.606 36.290 38.000 -0.173 0.000 1.065 817 I HN 0.196 nan 8.210 nan 0.000 0.418 818 A N 0.209 123.004 122.820 -0.042 0.000 1.933 818 A HA -0.227 4.088 4.320 -0.008 0.000 0.218 818 A C 2.249 179.790 177.584 -0.071 0.000 1.175 818 A CA 1.362 53.381 52.037 -0.030 0.000 0.628 818 A CB -0.513 18.475 19.000 -0.020 0.000 0.814 818 A HN 0.505 nan 8.150 nan 0.000 0.444 819 Q N -1.898 117.841 119.800 -0.102 0.000 2.083 819 Q HA -0.151 4.184 4.340 -0.008 0.000 0.198 819 Q C 1.915 177.747 176.000 -0.281 0.000 0.969 819 Q CA 1.557 57.260 55.803 -0.167 0.000 0.838 819 Q CB -0.290 28.338 28.738 -0.183 0.000 0.900 819 Q HN 0.821 nan 8.270 nan 0.000 0.436 820 Y N 0.607 120.614 120.300 -0.489 0.000 2.181 820 Y HA -0.266 4.279 4.550 -0.009 0.000 0.288 820 Y C 2.469 177.782 175.900 -0.977 0.000 1.146 820 Y CA 1.238 58.796 58.100 -0.903 0.000 1.164 820 Y CB -0.371 37.247 38.460 -1.402 0.000 0.982 820 Y HN 0.154 nan 8.280 nan 0.000 0.515 821 A N 0.333 122.915 122.820 -0.396 0.000 1.883 821 A HA -0.221 4.094 4.320 -0.008 0.000 0.217 821 A C 2.245 179.839 177.584 0.015 0.000 1.186 821 A CA 2.014 54.064 52.037 0.021 0.000 0.624 821 A CB -0.530 18.564 19.000 0.157 0.000 0.822 821 A HN 0.420 nan 8.150 nan 0.000 0.444 822 R N -0.600 119.871 120.500 -0.048 0.000 2.093 822 R HA -0.025 4.310 4.340 -0.008 0.000 0.224 822 R C 1.766 178.041 176.300 -0.042 0.000 1.101 822 R CA 1.413 57.498 56.100 -0.024 0.000 0.979 822 R CB -0.196 30.085 30.300 -0.031 0.000 0.877 822 R HN 0.667 nan 8.270 nan 0.000 0.441 823 E N -0.339 119.796 120.200 -0.108 0.000 2.447 823 E HA 0.090 4.435 4.350 -0.008 0.000 0.195 823 E C 1.434 177.983 176.600 -0.085 0.000 1.028 823 E CA 0.465 56.806 56.400 -0.099 0.000 0.876 823 E CB 0.525 30.139 29.700 -0.143 0.000 0.885 823 E HN 0.321 nan 8.360 nan 0.000 0.500 824 I N -1.195 119.292 120.570 -0.139 0.000 4.046 824 I HA 0.025 4.190 4.170 -0.008 0.000 0.285 824 I C 1.241 177.487 176.117 0.216 0.000 1.183 824 I CA -0.066 61.209 61.300 -0.042 0.000 1.337 824 I CB 0.280 38.112 38.000 -0.280 0.000 1.478 824 I HN 0.114 nan 8.210 nan 0.000 0.452 825 W N 1.631 123.022 121.300 0.152 0.000 2.770 825 W HA 0.324 4.979 4.660 -0.008 0.000 0.256 825 W C 1.492 178.048 176.519 0.060 0.000 1.291 825 W CA 0.782 58.198 57.345 0.118 0.000 1.396 825 W CB -1.052 28.463 29.460 0.093 0.000 1.114 825 W HN 0.320 nan 8.180 nan 0.000 0.637 826 G N 1.219 110.156 108.800 0.229 0.000 2.256 826 G HA2 -0.105 3.850 3.960 -0.008 0.000 0.272 826 G HA3 -0.105 3.850 3.960 -0.008 0.000 0.272 826 G C -0.310 174.662 174.900 0.120 0.000 1.076 826 G CA 0.264 45.442 45.100 0.130 0.000 0.882 826 G HN 0.424 nan 8.290 nan 0.000 0.497 827 V N -4.372 115.631 119.914 0.149 0.000 3.007 827 V HA 0.906 5.021 4.120 -0.008 0.000 0.311 827 V C -0.410 175.742 176.094 0.096 0.000 1.120 827 V CA -1.698 60.671 62.300 0.114 0.000 0.980 827 V CB 2.348 34.249 31.823 0.130 0.000 1.033 827 V HN 0.125 nan 8.190 nan 0.000 0.429 828 E N 3.954 124.194 120.200 0.067 0.000 2.174 828 E HA 0.515 4.860 4.350 -0.008 0.000 0.282 828 E C -2.471 174.165 176.600 0.059 0.000 0.992 828 E CA -1.730 54.703 56.400 0.055 0.000 0.803 828 E CB 1.881 31.605 29.700 0.040 0.000 1.090 828 E HN 0.773 nan 8.360 nan 0.000 0.396 829 P HA 0.120 nan 4.420 nan 0.000 0.274 829 P C -0.460 176.869 177.300 0.049 0.000 1.237 829 P CA -0.335 62.799 63.100 0.057 0.000 0.793 829 P CB 1.111 32.840 31.700 0.049 0.000 0.977 830 S N 0.542 116.274 115.700 0.053 0.000 2.549 830 S HA 0.408 4.873 4.470 -0.008 0.000 0.280 830 S C 0.342 174.970 174.600 0.047 0.000 1.109 830 S CA -0.749 57.482 58.200 0.051 0.000 0.905 830 S CB 1.237 64.475 63.200 0.063 0.000 1.081 830 S HN 0.318 nan 8.310 nan 0.000 0.477 831 R N 1.691 122.215 120.500 0.039 0.000 2.472 831 R HA 0.218 4.553 4.340 -0.008 0.000 0.279 831 R C -0.234 176.081 176.300 0.024 0.000 0.953 831 R CA -0.022 56.098 56.100 0.035 0.000 1.088 831 R CB 0.339 30.659 30.300 0.033 0.000 1.197 831 R HN 0.679 nan 8.270 nan 0.000 0.536 832 Q N 1.347 121.161 119.800 0.024 0.000 2.289 832 Q HA 0.083 4.418 4.340 -0.008 0.000 0.273 832 Q C -0.259 175.737 176.000 -0.005 0.000 1.029 832 Q CA 0.192 56.002 55.803 0.011 0.000 0.896 832 Q CB 0.771 29.520 28.738 0.018 0.000 1.182 832 Q HN -0.244 nan 8.270 nan 0.000 0.385 833 R N 1.428 121.916 120.500 -0.021 0.000 2.623 833 R HA 0.073 4.408 4.340 -0.008 0.000 0.271 833 R C -0.530 175.734 176.300 -0.061 0.000 1.043 833 R CA -0.171 55.904 56.100 -0.042 0.000 1.083 833 R CB 0.133 30.405 30.300 -0.047 0.000 0.974 833 R HN 0.417 nan 8.270 nan 0.000 0.436 834 L N 5.699 126.871 121.223 -0.084 0.000 2.395 834 L HA 0.312 4.647 4.340 -0.008 0.000 0.269 834 L C -1.716 175.083 176.870 -0.117 0.000 1.133 834 L CA -2.023 52.731 54.840 -0.143 0.000 0.812 834 L CB 0.814 42.773 42.059 -0.168 0.000 1.125 834 L HN 0.616 nan 8.230 nan 0.000 0.452 835 P HA -0.028 nan 4.420 nan 0.000 0.196 835 P C 0.115 177.378 177.300 -0.061 0.000 1.360 835 P CA 0.697 63.747 63.100 -0.084 0.000 1.128 835 P CB -0.702 30.947 31.700 -0.084 0.000 1.750 836 A N 3.457 126.245 122.820 -0.053 0.000 6.555 836 A HA -0.175 4.140 4.320 -0.008 0.000 0.385 836 A C -1.972 175.596 177.584 -0.027 0.000 2.032 836 A CA 0.059 52.075 52.037 -0.036 0.000 1.365 836 A CB -2.404 16.582 19.000 -0.024 0.000 1.144 836 A HN 0.434 nan 8.150 nan 0.000 0.515 837 P HA 0.000 nan 4.420 nan 0.000 0.216 837 P CA 0.000 63.106 63.100 0.010 0.000 0.800 837 P CB 0.000 31.720 31.700 0.033 0.000 0.726