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 3ms7_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPND FNLXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXXNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMXF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.983 176.000 -0.028 0.000 1.003 12 Q CA 0.000 55.774 55.803 -0.048 0.000 1.022 12 Q CB 0.000 28.700 28.738 -0.063 0.000 1.108 13 I N -1.227 119.331 120.570 -0.019 0.000 2.562 13 I HA 0.741 4.902 4.170 -0.014 0.000 0.301 13 I C 0.909 177.026 176.117 -0.000 0.000 1.003 13 I CA -0.566 60.731 61.300 -0.005 0.000 1.127 13 I CB 2.330 40.331 38.000 0.002 0.000 1.304 13 I HN 0.168 nan 8.210 nan 0.000 0.446 14 S N 3.336 119.041 115.700 0.009 0.000 2.356 14 S HA -0.142 4.319 4.470 -0.014 0.000 0.223 14 S C 1.729 176.338 174.600 0.015 0.000 1.032 14 S CA 1.961 60.168 58.200 0.011 0.000 1.005 14 S CB -0.474 62.738 63.200 0.019 0.000 0.867 14 S HN 0.758 nan 8.310 nan 0.000 0.449 15 V N 0.081 120.012 119.914 0.027 0.000 3.078 15 V HA 0.097 4.208 4.120 -0.014 0.000 0.265 15 V C 1.838 177.946 176.094 0.024 0.000 1.122 15 V CA 1.258 63.578 62.300 0.032 0.000 1.141 15 V CB -1.003 30.848 31.823 0.046 0.000 0.735 15 V HN 0.348 nan 8.190 nan 0.000 0.498 16 R N 1.272 121.777 120.500 0.009 0.000 2.313 16 R HA 0.417 4.748 4.340 -0.014 0.000 0.199 16 R C 1.177 177.467 176.300 -0.015 0.000 0.958 16 R CA 0.575 56.673 56.100 -0.003 0.000 1.047 16 R CB -0.117 30.178 30.300 -0.009 0.000 0.955 16 R HN 0.774 nan 8.270 nan 0.000 0.481 17 G N 0.685 109.476 108.800 -0.015 0.000 2.685 17 G HA2 -0.230 3.722 3.960 -0.014 0.000 0.387 17 G HA3 -0.230 3.722 3.960 -0.014 0.000 0.387 17 G C -0.997 173.887 174.900 -0.025 0.000 1.324 17 G CA -1.057 44.026 45.100 -0.028 0.000 0.878 17 G HN 0.019 nan 8.290 nan 0.000 0.527 18 L N 0.504 121.710 121.223 -0.029 0.000 2.375 18 L HA 0.671 5.002 4.340 -0.014 0.000 0.271 18 L C 1.186 178.043 176.870 -0.022 0.000 1.107 18 L CA 0.632 55.459 54.840 -0.022 0.000 0.806 18 L CB 1.577 43.624 42.059 -0.020 0.000 1.146 18 L HN 1.465 nan 8.230 nan 0.000 0.447 19 A N 2.186 124.996 122.820 -0.017 0.000 3.047 19 A HA 0.634 4.946 4.320 -0.014 0.000 0.337 19 A C 0.475 178.056 177.584 -0.005 0.000 1.143 19 A CA -0.329 51.700 52.037 -0.012 0.000 0.905 19 A CB -0.574 18.417 19.000 -0.014 0.000 1.088 19 A HN 0.724 nan 8.150 nan 0.000 0.488 20 G N -0.352 108.446 108.800 -0.003 0.000 2.483 20 G HA2 0.346 4.297 3.960 -0.014 0.000 0.248 20 G HA3 0.346 4.297 3.960 -0.014 0.000 0.248 20 G C 1.057 175.962 174.900 0.009 0.000 1.248 20 G CA 0.230 45.331 45.100 0.003 0.000 0.838 20 G HN 0.712 nan 8.290 nan 0.000 0.566 21 V N 1.507 121.427 119.914 0.010 0.000 2.332 21 V HA -0.148 3.963 4.120 -0.014 0.000 0.248 21 V C 2.649 178.754 176.094 0.019 0.000 1.055 21 V CA 2.773 65.081 62.300 0.014 0.000 1.038 21 V CB -0.353 31.477 31.823 0.012 0.000 0.651 21 V HN 0.870 nan 8.190 nan 0.000 0.450 22 E N 0.173 120.384 120.200 0.019 0.000 2.077 22 E HA -0.196 4.145 4.350 -0.014 0.000 0.193 22 E C 1.981 178.602 176.600 0.036 0.000 0.989 22 E CA 1.943 58.358 56.400 0.025 0.000 0.800 22 E CB -0.253 29.460 29.700 0.023 0.000 0.746 22 E HN 0.763 nan 8.360 nan 0.000 0.452 23 N N -1.044 117.677 118.700 0.034 0.000 2.106 23 N HA -0.130 4.601 4.740 -0.014 0.000 0.188 23 N C 1.623 177.161 175.510 0.047 0.000 1.029 23 N CA 1.202 54.279 53.050 0.046 0.000 0.848 23 N CB 0.126 38.630 38.487 0.028 0.000 1.007 23 N HN -0.048 nan 8.380 nan 0.000 0.423 24 V N 0.466 120.399 119.914 0.031 0.000 2.332 24 V HA -0.249 3.862 4.120 -0.014 0.000 0.248 24 V C 2.063 178.179 176.094 0.037 0.000 1.055 24 V CA 1.842 64.160 62.300 0.029 0.000 1.038 24 V CB -0.888 30.948 31.823 0.021 0.000 0.651 24 V HN 0.427 nan 8.190 nan 0.000 0.450 25 T N -0.681 113.894 114.554 0.036 0.000 2.708 25 T HA -0.218 4.124 4.350 -0.014 0.000 0.266 25 T C 1.932 176.665 174.700 0.055 0.000 1.037 25 T CA 1.768 63.891 62.100 0.037 0.000 1.146 25 T CB -0.215 68.671 68.868 0.029 0.000 0.865 25 T HN 0.455 nan 8.240 nan 0.000 0.435 26 E N 1.049 121.288 120.200 0.066 0.000 2.051 26 E HA -0.044 4.298 4.350 -0.014 0.000 0.192 26 E C 2.071 178.747 176.600 0.128 0.000 0.991 26 E CA 0.991 57.444 56.400 0.088 0.000 0.799 26 E CB -0.562 29.195 29.700 0.095 0.000 0.748 26 E HN 0.439 nan 8.360 nan 0.000 0.449 27 L N 0.176 121.482 121.223 0.138 0.000 2.012 27 L HA -0.229 4.103 4.340 -0.014 0.000 0.210 27 L C 2.488 179.466 176.870 0.181 0.000 1.073 27 L CA 1.637 56.581 54.840 0.174 0.000 0.748 27 L CB -0.400 41.732 42.059 0.122 0.000 0.891 27 L HN 0.082 nan 8.230 nan 0.000 0.431 28 K N 0.056 120.521 120.400 0.109 0.000 2.063 28 K HA -0.246 4.065 4.320 -0.014 0.000 0.208 28 K C 2.195 178.892 176.600 0.161 0.000 1.048 28 K CA 1.555 57.896 56.287 0.091 0.000 0.928 28 K CB -0.130 32.385 32.500 0.025 0.000 0.713 28 K HN 0.157 nan 8.250 nan 0.000 0.442 29 K N 0.796 121.273 120.400 0.127 0.000 2.026 29 K HA -0.146 4.166 4.320 -0.014 0.000 0.208 29 K C 1.744 178.430 176.600 0.144 0.000 1.048 29 K CA 1.491 57.847 56.287 0.115 0.000 0.929 29 K CB 0.051 32.597 32.500 0.077 0.000 0.713 29 K HN 0.096 nan 8.250 nan 0.000 0.439 30 N N 0.045 118.845 118.700 0.168 0.000 2.270 30 N HA -0.133 4.598 4.740 -0.014 0.000 0.181 30 N C 1.627 177.297 175.510 0.266 0.000 1.016 30 N CA 0.830 53.978 53.050 0.164 0.000 0.870 30 N CB -0.216 38.382 38.487 0.185 0.000 0.979 30 N HN 0.177 nan 8.380 nan 0.000 0.431 31 F N 2.593 122.648 119.950 0.175 0.000 2.095 31 F HA -0.142 4.376 4.527 -0.014 0.000 0.298 31 F C 2.026 177.930 175.800 0.173 0.000 1.104 31 F CA 1.346 59.460 58.000 0.191 0.000 1.232 31 F CB -0.140 38.943 39.000 0.137 0.000 0.987 31 F HN -0.023 nan 8.300 nan 0.000 0.475 32 N N 0.394 119.333 118.700 0.397 0.000 2.166 32 N HA -0.188 4.543 4.740 -0.014 0.000 0.186 32 N C 2.019 177.621 175.510 0.154 0.000 1.019 32 N CA 1.152 54.357 53.050 0.259 0.000 0.856 32 N CB -0.551 38.060 38.487 0.206 0.000 0.993 32 N HN 0.372 nan 8.380 nan 0.000 0.426 33 R N 0.211 120.796 120.500 0.142 0.000 2.073 33 R HA -0.101 4.230 4.340 -0.014 0.000 0.234 33 R C 1.782 178.160 176.300 0.130 0.000 1.134 33 R CA 1.486 57.691 56.100 0.174 0.000 0.952 33 R CB -0.205 30.123 30.300 0.047 0.000 0.850 33 R HN 0.386 nan 8.270 nan 0.000 0.433 34 H N -0.405 118.706 119.070 0.068 0.000 2.389 34 H HA -0.114 4.433 4.556 -0.014 0.000 0.299 34 H C 1.873 177.123 175.328 -0.130 0.000 1.081 34 H CA 1.412 57.428 56.048 -0.053 0.000 1.345 34 H CB 0.078 29.762 29.762 -0.131 0.000 1.393 34 H HN 0.123 nan 8.280 nan 0.000 0.520 35 L N -0.054 121.146 121.223 -0.039 0.000 2.042 35 L HA -0.199 4.133 4.340 -0.014 0.000 0.210 35 L C 2.191 179.035 176.870 -0.043 0.000 1.076 35 L CA 1.880 56.671 54.840 -0.083 0.000 0.749 35 L CB -0.422 41.611 42.059 -0.043 0.000 0.893 35 L HN 0.306 nan 8.230 nan 0.000 0.432 36 H N -1.717 117.280 119.070 -0.121 0.000 2.266 36 H HA -0.057 4.491 4.556 -0.014 0.000 0.308 36 H C 1.793 176.937 175.328 -0.305 0.000 1.057 36 H CA 2.213 58.101 56.048 -0.268 0.000 1.330 36 H CB -0.323 29.196 29.762 -0.405 0.000 1.400 36 H HN 0.275 nan 8.280 nan 0.000 0.503 37 F N -0.378 119.564 119.950 -0.013 0.000 2.367 37 F HA -0.016 4.502 4.527 -0.015 0.000 0.298 37 F C 2.409 178.144 175.800 -0.108 0.000 1.094 37 F CA 1.305 59.256 58.000 -0.082 0.000 1.409 37 F CB -0.114 38.874 39.000 -0.020 0.000 1.064 37 F HN 0.214 nan 8.300 nan 0.000 0.528 38 T N -0.577 114.005 114.554 0.047 0.000 3.004 38 T HA 0.128 4.469 4.350 -0.014 0.000 0.243 38 T C 1.887 176.488 174.700 -0.165 0.000 1.020 38 T CA 0.610 62.675 62.100 -0.057 0.000 1.145 38 T CB -0.205 68.606 68.868 -0.095 0.000 0.876 38 T HN 0.092 nan 8.240 nan 0.000 0.449 39 L N 1.434 122.547 121.223 -0.184 0.000 2.529 39 L HA 0.203 4.534 4.340 -0.014 0.000 0.223 39 L C 0.322 177.086 176.870 -0.176 0.000 1.113 39 L CA -0.068 54.652 54.840 -0.200 0.000 0.861 39 L CB -0.022 41.919 42.059 -0.197 0.000 1.012 39 L HN -0.004 nan 8.230 nan 0.000 0.461 40 V N 0.323 120.118 119.914 -0.198 0.000 5.961 40 V HA -0.296 3.816 4.120 -0.014 0.000 0.311 40 V C 0.025 176.003 176.094 -0.193 0.000 0.552 40 V CA 1.149 63.307 62.300 -0.236 0.000 0.641 40 V CB -2.356 29.355 31.823 -0.186 0.000 0.286 40 V HN 0.461 nan 8.190 nan 0.000 0.939 41 K N 0.718 121.015 120.400 -0.173 0.000 2.480 41 K HA 0.742 5.053 4.320 -0.014 0.000 0.258 41 K C -0.513 176.059 176.600 -0.047 0.000 0.990 41 K CA -0.530 55.690 56.287 -0.111 0.000 0.857 41 K CB 2.784 35.215 32.500 -0.115 0.000 1.384 41 K HN 0.447 nan 8.250 nan 0.000 0.446 42 D N -0.751 119.643 120.400 -0.009 0.000 2.553 42 D HA 0.283 4.915 4.640 -0.014 0.000 0.249 42 D C 0.622 176.961 176.300 0.065 0.000 1.062 42 D CA -0.703 53.327 54.000 0.051 0.000 1.085 42 D CB 0.765 41.598 40.800 0.055 0.000 1.350 42 D HN 0.146 nan 8.370 nan 0.000 0.575 43 R N -0.093 120.477 120.500 0.117 0.000 2.293 43 R HA 0.002 4.333 4.340 -0.014 0.000 0.219 43 R C 0.788 177.162 176.300 0.123 0.000 1.091 43 R CA 0.441 56.649 56.100 0.179 0.000 1.004 43 R CB -0.740 29.667 30.300 0.179 0.000 0.865 43 R HN 0.491 nan 8.270 nan 0.000 0.469 44 N N 0.256 118.996 118.700 0.067 0.000 2.250 44 N HA -0.086 4.646 4.740 -0.014 0.000 0.181 44 N C 1.754 177.281 175.510 0.030 0.000 1.017 44 N CA 1.429 54.506 53.050 0.046 0.000 0.866 44 N CB 0.104 38.608 38.487 0.028 0.000 0.985 44 N HN 0.231 nan 8.380 nan 0.000 0.429 45 V N -2.395 117.523 119.914 0.007 0.000 3.661 45 V HA 0.492 4.604 4.120 -0.014 0.000 0.271 45 V C 0.919 176.980 176.094 -0.056 0.000 1.315 45 V CA -0.416 61.873 62.300 -0.018 0.000 1.072 45 V CB -0.627 31.180 31.823 -0.027 0.000 0.830 45 V HN 0.077 nan 8.190 nan 0.000 0.443 46 A N 2.836 125.597 122.820 -0.097 0.000 2.548 46 A HA 0.453 4.764 4.320 -0.014 0.000 0.247 46 A C 0.878 178.289 177.584 -0.289 0.000 1.067 46 A CA 0.890 52.759 52.037 -0.279 0.000 0.757 46 A CB -0.541 18.147 19.000 -0.520 0.000 0.996 46 A HN 0.827 nan 8.150 nan 0.000 0.504 47 T N 1.062 115.473 114.554 -0.238 0.000 2.849 47 T HA 0.446 4.788 4.350 -0.014 0.000 0.284 47 T C -1.876 172.738 174.700 -0.143 0.000 1.004 47 T CA -1.468 60.561 62.100 -0.119 0.000 1.021 47 T CB 0.872 69.715 68.868 -0.042 0.000 1.013 47 T HN 0.308 nan 8.240 nan 0.000 0.527 48 P HA -0.041 nan 4.420 nan 0.000 0.218 48 P C 1.603 178.996 177.300 0.155 0.000 1.148 48 P CA 0.772 63.984 63.100 0.186 0.000 0.822 48 P CB 0.031 31.825 31.700 0.156 0.000 0.784 49 R N 0.220 120.767 120.500 0.078 0.000 2.081 49 R HA -0.143 4.188 4.340 -0.014 0.000 0.235 49 R C 1.645 178.095 176.300 0.250 0.000 1.131 49 R CA 1.754 57.928 56.100 0.124 0.000 0.960 49 R CB -0.717 29.608 30.300 0.042 0.000 0.856 49 R HN 0.087 nan 8.270 nan 0.000 0.436 50 D N -0.291 120.164 120.400 0.091 0.000 2.123 50 D HA -0.204 4.427 4.640 -0.014 0.000 0.196 50 D C 1.712 178.022 176.300 0.018 0.000 0.992 50 D CA 1.393 55.399 54.000 0.010 0.000 0.833 50 D CB -0.292 40.372 40.800 -0.226 0.000 0.954 50 D HN 0.324 nan 8.370 nan 0.000 0.455 51 Y N -0.017 120.376 120.300 0.155 0.000 2.242 51 Y HA -0.190 4.351 4.550 -0.014 0.000 0.291 51 Y C 2.299 178.319 175.900 0.200 0.000 1.137 51 Y CA 0.286 58.515 58.100 0.214 0.000 1.181 51 Y CB -1.098 37.554 38.460 0.319 0.000 0.989 51 Y HN 0.090 nan 8.280 nan 0.000 0.527 52 Y N -0.452 119.972 120.300 0.207 0.000 2.128 52 Y HA -0.292 4.249 4.550 -0.015 0.000 0.284 52 Y C 1.985 177.863 175.900 -0.036 0.000 1.154 52 Y CA 1.345 59.471 58.100 0.043 0.000 1.149 52 Y CB -1.160 37.221 38.460 -0.131 0.000 0.976 52 Y HN 0.055 nan 8.280 nan 0.000 0.505 53 F N 0.238 119.969 119.950 -0.365 0.000 2.171 53 F HA -0.171 4.347 4.527 -0.014 0.000 0.300 53 F C 2.649 178.271 175.800 -0.297 0.000 1.090 53 F CA 1.240 58.985 58.000 -0.425 0.000 1.293 53 F CB -0.743 38.151 39.000 -0.177 0.000 1.013 53 F HN 0.219 nan 8.300 nan 0.000 0.486 54 A N -0.172 122.556 122.820 -0.153 0.000 1.902 54 A HA -0.182 4.130 4.320 -0.014 0.000 0.217 54 A C 2.041 179.462 177.584 -0.271 0.000 1.181 54 A CA 1.522 53.330 52.037 -0.382 0.000 0.623 54 A CB -0.983 17.485 19.000 -0.887 0.000 0.818 54 A HN 0.339 nan 8.150 nan 0.000 0.443 55 L N -0.193 120.995 121.223 -0.059 0.000 2.017 55 L HA -0.034 4.298 4.340 -0.014 0.000 0.208 55 L C 2.694 179.574 176.870 0.015 0.000 1.073 55 L CA 2.189 57.145 54.840 0.193 0.000 0.745 55 L CB -0.989 41.263 42.059 0.322 0.000 0.894 55 L HN 0.347 nan 8.230 nan 0.000 0.432 56 A N -1.284 121.400 122.820 -0.227 0.000 1.908 56 A HA -0.288 4.024 4.320 -0.014 0.000 0.218 56 A C 2.140 179.455 177.584 -0.447 0.000 1.181 56 A CA 2.049 53.859 52.037 -0.378 0.000 0.627 56 A CB -1.065 17.439 19.000 -0.826 0.000 0.818 56 A HN 0.666 nan 8.150 nan 0.000 0.445 57 H N -0.701 118.078 119.070 -0.485 0.000 2.389 57 H HA -0.045 4.502 4.556 -0.014 0.000 0.299 57 H C 2.335 177.395 175.328 -0.447 0.000 1.081 57 H CA 1.935 57.609 56.048 -0.624 0.000 1.345 57 H CB -0.386 28.741 29.762 -1.059 0.000 1.393 57 H HN 0.454 nan 8.280 nan 0.000 0.520 58 T N -0.314 114.196 114.554 -0.073 0.000 2.746 58 T HA -0.123 4.218 4.350 -0.014 0.000 0.267 58 T C 2.264 177.130 174.700 0.276 0.000 1.039 58 T CA 1.357 63.594 62.100 0.227 0.000 1.142 58 T CB -0.385 68.679 68.868 0.327 0.000 0.866 58 T HN 0.096 nan 8.240 nan 0.000 0.444 59 V N 2.415 122.449 119.914 0.201 0.000 2.379 59 V HA -0.148 3.963 4.120 -0.014 0.000 0.245 59 V C 2.670 178.927 176.094 0.272 0.000 1.044 59 V CA 1.856 64.303 62.300 0.245 0.000 1.036 59 V CB -0.681 31.288 31.823 0.243 0.000 0.664 59 V HN 0.505 nan 8.190 nan 0.000 0.453 60 R N 0.399 120.997 120.500 0.164 0.000 2.152 60 R HA -0.197 4.134 4.340 -0.014 0.000 0.232 60 R C 1.677 178.058 176.300 0.135 0.000 1.117 60 R CA 1.990 58.179 56.100 0.149 0.000 0.981 60 R CB -0.703 29.536 30.300 -0.102 0.000 0.870 60 R HN 0.379 nan 8.270 nan 0.000 0.451 61 D N 0.837 121.312 120.400 0.126 0.000 2.158 61 D HA -0.175 4.456 4.640 -0.014 0.000 0.197 61 D C 1.688 178.007 176.300 0.031 0.000 0.995 61 D CA 1.219 55.272 54.000 0.089 0.000 0.846 61 D CB -0.405 40.450 40.800 0.092 0.000 0.941 61 D HN 0.500 nan 8.370 nan 0.000 0.456 62 H N -0.344 118.779 119.070 0.089 0.000 2.524 62 H HA 0.045 4.593 4.556 -0.014 0.000 0.282 62 H C 2.136 177.497 175.328 0.056 0.000 1.016 62 H CA 0.327 56.415 56.048 0.066 0.000 1.270 62 H CB 0.324 30.119 29.762 0.054 0.000 1.394 62 H HN 0.203 nan 8.280 nan 0.000 0.568 63 L N -0.137 121.186 121.223 0.167 0.000 2.240 63 L HA -0.087 4.245 4.340 -0.014 0.000 0.211 63 L C 2.477 179.448 176.870 0.168 0.000 1.106 63 L CA 0.104 55.010 54.840 0.110 0.000 0.793 63 L CB -0.051 42.037 42.059 0.049 0.000 0.927 63 L HN 0.026 nan 8.230 nan 0.000 0.446 64 V N 0.382 120.403 119.914 0.178 0.000 2.233 64 V HA -0.263 3.848 4.120 -0.014 0.000 0.247 64 V C 2.632 178.821 176.094 0.158 0.000 1.050 64 V CA 2.256 64.679 62.300 0.206 0.000 1.010 64 V CB -1.357 30.541 31.823 0.125 0.000 0.637 64 V HN 0.559 nan 8.190 nan 0.000 0.444 65 G N -0.450 108.403 108.800 0.088 0.000 2.418 65 G HA2 -0.249 3.702 3.960 -0.014 0.000 0.217 65 G HA3 -0.249 3.702 3.960 -0.014 0.000 0.217 65 G C 1.742 176.681 174.900 0.065 0.000 1.158 65 G CA 0.865 45.998 45.100 0.054 0.000 0.771 65 G HN 0.456 nan 8.290 nan 0.000 0.545 66 R N -1.389 119.156 120.500 0.076 0.000 2.081 66 R HA -0.087 4.244 4.340 -0.014 0.000 0.235 66 R C 2.276 178.650 176.300 0.123 0.000 1.131 66 R CA 1.242 57.376 56.100 0.057 0.000 0.960 66 R CB -0.374 29.942 30.300 0.027 0.000 0.856 66 R HN 0.467 nan 8.270 nan 0.000 0.436 67 W N 1.497 122.771 121.300 -0.043 0.000 2.355 67 W HA -0.066 4.585 4.660 -0.014 0.000 0.309 67 W C 1.734 178.221 176.519 -0.053 0.000 1.206 67 W CA 0.919 58.236 57.345 -0.047 0.000 1.284 67 W CB -0.538 28.911 29.460 -0.019 0.000 1.145 67 W HN -0.016 nan 8.180 nan 0.000 0.502 68 I N 0.814 121.447 120.570 0.106 0.000 2.252 68 I HA -0.322 3.839 4.170 -0.014 0.000 0.245 68 I C 2.681 178.787 176.117 -0.017 0.000 1.102 68 I CA 1.945 63.227 61.300 -0.031 0.000 1.385 68 I CB -0.594 37.386 38.000 -0.033 0.000 1.064 68 I HN -0.034 nan 8.210 nan 0.000 0.414 69 R N 0.394 120.896 120.500 0.003 0.000 2.115 69 R HA -0.054 4.278 4.340 -0.014 0.000 0.226 69 R C 1.951 178.217 176.300 -0.056 0.000 1.100 69 R CA 1.536 57.627 56.100 -0.016 0.000 0.980 69 R CB -1.134 29.156 30.300 -0.017 0.000 0.875 69 R HN 0.141 nan 8.270 nan 0.000 0.445 70 T N 1.660 116.158 114.554 -0.094 0.000 2.652 70 T HA -0.127 4.215 4.350 -0.014 0.000 0.267 70 T C 1.837 176.296 174.700 -0.401 0.000 1.039 70 T CA 1.513 63.447 62.100 -0.276 0.000 1.153 70 T CB -0.159 68.582 68.868 -0.213 0.000 0.863 70 T HN 0.274 nan 8.240 nan 0.000 0.428 71 Q N 1.211 120.916 119.800 -0.157 0.000 2.119 71 Q HA -0.141 4.190 4.340 -0.014 0.000 0.201 71 Q C 2.507 178.531 176.000 0.041 0.000 0.972 71 Q CA 1.397 57.178 55.803 -0.036 0.000 0.847 71 Q CB -0.509 28.235 28.738 0.009 0.000 0.903 71 Q HN 0.837 nan 8.270 nan 0.000 0.433 72 Q N -0.614 119.198 119.800 0.020 0.000 2.172 72 Q HA -0.198 4.134 4.340 -0.014 0.000 0.200 72 Q C 1.812 177.901 176.000 0.148 0.000 0.964 72 Q CA 1.597 57.454 55.803 0.090 0.000 0.855 72 Q CB -0.530 28.235 28.738 0.046 0.000 0.918 72 Q HN 0.449 nan 8.270 nan 0.000 0.444 73 H N -0.037 119.012 119.070 -0.036 0.000 2.353 73 H HA -0.175 4.373 4.556 -0.014 0.000 0.300 73 H C 1.143 176.527 175.328 0.093 0.000 1.090 73 H CA 2.190 58.221 56.048 -0.028 0.000 1.327 73 H CB -0.152 29.526 29.762 -0.139 0.000 1.383 73 H HN 0.323 nan 8.280 nan 0.000 0.508 74 Y N -1.041 119.325 120.300 0.111 0.000 2.274 74 Y HA -0.185 4.356 4.550 -0.015 0.000 0.290 74 Y C 2.399 178.334 175.900 0.058 0.000 1.145 74 Y CA 1.030 59.163 58.100 0.056 0.000 1.203 74 Y CB -1.321 37.222 38.460 0.137 0.000 0.984 74 Y HN 0.367 nan 8.280 nan 0.000 0.533 75 Y N 1.325 121.711 120.300 0.144 0.000 2.181 75 Y HA -0.186 4.356 4.550 -0.014 0.000 0.288 75 Y C 2.118 178.027 175.900 0.015 0.000 1.146 75 Y CA 1.783 59.927 58.100 0.073 0.000 1.164 75 Y CB -0.045 38.450 38.460 0.057 0.000 0.982 75 Y HN 0.024 nan 8.280 nan 0.000 0.515 76 E N 0.440 120.634 120.200 -0.009 0.000 2.046 76 E HA -0.158 4.184 4.350 -0.014 0.000 0.190 76 E C 2.002 178.501 176.600 -0.168 0.000 0.982 76 E CA 1.305 57.639 56.400 -0.111 0.000 0.800 76 E CB -0.289 29.396 29.700 -0.025 0.000 0.756 76 E HN 0.509 nan 8.360 nan 0.000 0.449 77 K N 0.573 120.859 120.400 -0.189 0.000 2.305 77 K HA -0.073 4.238 4.320 -0.014 0.000 0.199 77 K C -0.001 176.532 176.600 -0.112 0.000 1.047 77 K CA 0.453 56.636 56.287 -0.174 0.000 0.976 77 K CB 0.024 32.361 32.500 -0.271 0.000 0.765 77 K HN -0.016 nan 8.250 nan 0.000 0.474 78 D N 1.013 121.356 120.400 -0.095 0.000 2.697 78 D HA -0.099 4.532 4.640 -0.014 0.000 0.235 78 D C -2.449 173.822 176.300 -0.048 0.000 1.167 78 D CA 0.098 54.053 54.000 -0.075 0.000 0.656 78 D CB -0.141 40.585 40.800 -0.124 0.000 1.025 78 D HN 0.171 nan 8.370 nan 0.000 0.419 79 P HA 0.089 nan 4.420 nan 0.000 0.274 79 P C -0.106 177.156 177.300 -0.064 0.000 1.256 79 P CA -0.520 62.550 63.100 -0.049 0.000 0.795 79 P CB 0.604 32.268 31.700 -0.060 0.000 1.038 80 K N 1.314 121.681 120.400 -0.056 0.000 2.484 80 K HA 0.010 4.321 4.320 -0.014 0.000 0.280 80 K C -0.023 176.494 176.600 -0.139 0.000 1.013 80 K CA 0.166 56.412 56.287 -0.069 0.000 1.029 80 K CB 0.154 32.631 32.500 -0.039 0.000 0.902 80 K HN 0.275 nan 8.250 nan 0.000 0.481 81 R N 3.647 124.048 120.500 -0.165 0.000 2.428 81 R HA 0.353 4.684 4.340 -0.014 0.000 0.294 81 R C -0.521 175.503 176.300 -0.461 0.000 1.000 81 R CA -0.562 55.352 56.100 -0.310 0.000 0.960 81 R CB 0.890 31.009 30.300 -0.301 0.000 1.076 81 R HN 0.488 nan 8.270 nan 0.000 0.475 82 I N 4.010 124.244 120.570 -0.559 0.000 2.354 82 I HA 0.222 4.384 4.170 -0.014 0.000 0.292 82 I C -0.725 175.069 176.117 -0.539 0.000 0.989 82 I CA -0.798 60.132 61.300 -0.617 0.000 1.188 82 I CB 0.941 38.454 38.000 -0.811 0.000 1.342 82 I HN 0.542 nan 8.210 nan 0.000 0.457 83 Y N 5.887 126.145 120.300 -0.069 0.000 2.345 83 Y HA 0.297 4.838 4.550 -0.014 0.000 0.331 83 Y C -0.340 175.659 175.900 0.165 0.000 0.959 83 Y CA -0.731 57.450 58.100 0.135 0.000 1.204 83 Y CB 1.199 39.695 38.460 0.060 0.000 1.135 83 Y HN 0.407 nan 8.280 nan 0.000 0.477 84 Y N 4.595 125.074 120.300 0.297 0.000 2.518 84 Y HA 0.493 5.035 4.550 -0.014 0.000 0.344 84 Y C -1.261 174.897 175.900 0.429 0.000 0.982 84 Y CA -0.956 57.323 58.100 0.298 0.000 1.234 84 Y CB 0.308 38.939 38.460 0.285 0.000 1.114 84 Y HN 0.511 nan 8.280 nan 0.000 0.515 85 L N 5.057 126.342 121.223 0.103 0.000 2.265 85 L HA 0.471 4.802 4.340 -0.014 0.000 0.288 85 L C -0.153 176.749 176.870 0.054 0.000 1.058 85 L CA 0.173 55.128 54.840 0.192 0.000 0.809 85 L CB 1.270 43.401 42.059 0.121 0.000 1.179 85 L HN 0.574 nan 8.230 nan 0.000 0.429 86 S N 2.700 118.514 115.700 0.189 0.000 2.541 86 S HA 0.492 4.953 4.470 -0.014 0.000 0.271 86 S C 0.304 174.999 174.600 0.159 0.000 1.133 86 S CA -0.633 57.573 58.200 0.010 0.000 0.876 86 S CB 1.049 64.021 63.200 -0.379 0.000 1.105 86 S HN 0.482 nan 8.310 nan 0.000 0.470 87 L N 2.300 123.646 121.223 0.204 0.000 2.558 87 L HA 0.392 4.723 4.340 -0.014 0.000 0.225 87 L C 0.180 177.244 176.870 0.324 0.000 1.128 87 L CA 1.108 56.135 54.840 0.312 0.000 0.868 87 L CB -0.780 41.472 42.059 0.323 0.000 1.006 87 L HN 0.703 nan 8.230 nan 0.000 0.454 88 E N -0.793 119.468 120.200 0.102 0.000 2.275 88 E HA 0.389 4.731 4.350 -0.014 0.000 0.270 88 E C -1.518 174.965 176.600 -0.195 0.000 0.882 88 E CA -0.369 56.071 56.400 0.066 0.000 0.758 88 E CB 2.083 31.791 29.700 0.013 0.000 1.195 88 E HN -0.150 nan 8.360 nan 0.000 0.419 89 F N 2.265 122.319 119.950 0.173 0.000 2.716 89 F HA 0.183 4.701 4.527 -0.015 0.000 0.354 89 F C -0.885 174.999 175.800 0.141 0.000 1.168 89 F CA -0.778 57.312 58.000 0.151 0.000 1.045 89 F CB 0.985 40.066 39.000 0.135 0.000 1.311 89 F HN 0.478 nan 8.300 nan 0.000 0.477 90 Y N 5.296 125.667 120.300 0.118 0.000 2.691 90 Y HA 0.242 4.783 4.550 -0.014 0.000 0.338 90 Y C 0.815 176.729 175.900 0.024 0.000 1.148 90 Y CA -1.049 57.070 58.100 0.031 0.000 1.430 90 Y CB 0.439 38.900 38.460 0.002 0.000 1.303 90 Y HN 0.553 nan 8.280 nan 0.000 0.499 91 M N 1.690 121.400 119.600 0.184 0.000 2.334 91 M HA 0.142 4.613 4.480 -0.014 0.000 0.266 91 M C 1.545 177.805 176.300 -0.067 0.000 1.082 91 M CA 1.033 56.355 55.300 0.037 0.000 1.141 91 M CB -1.123 31.480 32.600 0.005 0.000 1.380 91 M HN 0.713 nan 8.290 nan 0.000 0.440 92 G N 1.312 110.075 108.800 -0.061 0.000 2.569 92 G HA2 -0.277 3.674 3.960 -0.014 0.000 0.259 92 G HA3 -0.277 3.674 3.960 -0.014 0.000 0.259 92 G C -0.208 174.632 174.900 -0.100 0.000 1.263 92 G CA -0.283 44.747 45.100 -0.118 0.000 0.928 92 G HN 0.433 nan 8.290 nan 0.000 0.572 93 R N -0.700 119.723 120.500 -0.127 0.000 2.582 93 R HA 0.551 4.883 4.340 -0.014 0.000 0.271 93 R C 1.141 177.307 176.300 -0.223 0.000 1.078 93 R CA 0.384 56.416 56.100 -0.114 0.000 1.127 93 R CB 0.643 30.886 30.300 -0.095 0.000 1.038 93 R HN 0.526 nan 8.270 nan 0.000 0.500 94 T N 1.166 115.524 114.554 -0.327 0.000 2.978 94 T HA -0.006 4.335 4.350 -0.014 0.000 0.248 94 T C 1.411 175.689 174.700 -0.704 0.000 1.018 94 T CA -0.135 61.552 62.100 -0.688 0.000 1.026 94 T CB 0.139 68.229 68.868 -1.297 0.000 1.032 94 T HN 0.307 nan 8.240 nan 0.000 0.485 95 L N 1.977 123.008 121.223 -0.319 0.000 1.976 95 L HA -0.024 4.308 4.340 -0.014 0.000 0.209 95 L C 2.471 179.293 176.870 -0.080 0.000 1.071 95 L CA 2.020 56.845 54.840 -0.026 0.000 0.746 95 L CB -0.732 41.535 42.059 0.347 0.000 0.890 95 L HN 0.184 nan 8.230 nan 0.000 0.432 96 Q N -0.733 119.021 119.800 -0.077 0.000 2.084 96 Q HA -0.259 4.073 4.340 -0.014 0.000 0.202 96 Q C 2.242 178.162 176.000 -0.134 0.000 0.978 96 Q CA 1.929 57.682 55.803 -0.084 0.000 0.844 96 Q CB -0.338 28.349 28.738 -0.086 0.000 0.898 96 Q HN 0.700 nan 8.270 nan 0.000 0.426 97 N N -1.054 117.526 118.700 -0.201 0.000 2.104 97 N HA -0.156 4.576 4.740 -0.014 0.000 0.190 97 N C 1.352 176.747 175.510 -0.192 0.000 1.024 97 N CA 1.828 54.751 53.050 -0.212 0.000 0.853 97 N CB 0.045 38.371 38.487 -0.267 0.000 1.008 97 N HN 0.242 nan 8.380 nan 0.000 0.424 98 T N 1.242 115.647 114.554 -0.248 0.000 2.777 98 T HA -0.044 4.297 4.350 -0.014 0.000 0.266 98 T C 2.065 176.699 174.700 -0.110 0.000 1.040 98 T CA 0.999 62.975 62.100 -0.205 0.000 1.141 98 T CB -0.053 68.654 68.868 -0.269 0.000 0.868 98 T HN 0.265 nan 8.240 nan 0.000 0.444 99 M N 0.628 120.179 119.600 -0.082 0.000 2.086 99 M HA -0.097 4.374 4.480 -0.014 0.000 0.261 99 M C 2.490 178.753 176.300 -0.062 0.000 1.067 99 M CA 1.298 56.563 55.300 -0.058 0.000 1.116 99 M CB -0.739 31.843 32.600 -0.031 0.000 1.348 99 M HN 0.094 nan 8.290 nan 0.000 0.407 100 V N 1.078 120.961 119.914 -0.053 0.000 2.252 100 V HA -0.295 3.816 4.120 -0.014 0.000 0.249 100 V C 1.811 177.912 176.094 0.013 0.000 1.056 100 V CA 2.100 64.396 62.300 -0.007 0.000 1.022 100 V CB -0.913 30.907 31.823 -0.006 0.000 0.641 100 V HN 0.480 nan 8.190 nan 0.000 0.445 101 N N -0.505 118.187 118.700 -0.013 0.000 2.459 101 N HA -0.035 4.697 4.740 -0.014 0.000 0.181 101 N C 1.094 176.508 175.510 -0.160 0.000 1.046 101 N CA 0.661 53.687 53.050 -0.039 0.000 0.904 101 N CB -0.101 38.370 38.487 -0.026 0.000 0.964 101 N HN 0.281 nan 8.380 nan 0.000 0.444 102 L N -0.227 120.919 121.223 -0.128 0.000 2.640 102 L HA 0.398 4.729 4.340 -0.014 0.000 0.230 102 L C 0.595 177.381 176.870 -0.140 0.000 1.123 102 L CA -0.204 54.559 54.840 -0.128 0.000 0.900 102 L CB -0.797 41.208 42.059 -0.090 0.000 1.146 102 L HN 0.116 nan 8.230 nan 0.000 0.484 103 A N -0.555 122.178 122.820 -0.145 0.000 2.869 103 A HA -0.226 4.086 4.320 -0.014 0.000 0.280 103 A C 1.171 178.698 177.584 -0.095 0.000 1.458 103 A CA 1.163 53.127 52.037 -0.121 0.000 0.776 103 A CB -2.054 16.861 19.000 -0.142 0.000 1.028 103 A HN 0.320 nan 8.150 nan 0.000 0.547 104 L N -1.483 119.683 121.223 -0.095 0.000 2.693 104 L HA 0.155 4.486 4.340 -0.014 0.000 0.235 104 L C 1.953 178.785 176.870 -0.063 0.000 1.127 104 L CA 0.717 55.496 54.840 -0.102 0.000 0.914 104 L CB 0.068 42.033 42.059 -0.157 0.000 1.193 104 L HN 0.643 nan 8.230 nan 0.000 0.502 105 E N 0.739 120.911 120.200 -0.046 0.000 2.051 105 E HA -0.229 4.112 4.350 -0.014 0.000 0.192 105 E C 1.679 178.265 176.600 -0.023 0.000 0.991 105 E CA 1.355 57.738 56.400 -0.028 0.000 0.799 105 E CB 0.258 29.944 29.700 -0.024 0.000 0.748 105 E HN 0.401 nan 8.360 nan 0.000 0.449 106 N N 0.098 118.782 118.700 -0.027 0.000 2.142 106 N HA -0.123 4.609 4.740 -0.014 0.000 0.186 106 N C 1.574 177.071 175.510 -0.023 0.000 1.023 106 N CA 1.238 54.273 53.050 -0.026 0.000 0.852 106 N CB -0.382 38.089 38.487 -0.027 0.000 0.998 106 N HN 0.208 nan 8.380 nan 0.000 0.424 107 A N 0.404 123.209 122.820 -0.026 0.000 1.877 107 A HA -0.151 4.160 4.320 -0.014 0.000 0.216 107 A C 2.669 180.247 177.584 -0.010 0.000 1.186 107 A CA 1.405 53.430 52.037 -0.019 0.000 0.620 107 A CB -1.018 17.963 19.000 -0.031 0.000 0.822 107 A HN 0.447 nan 8.150 nan 0.000 0.443 108 C N -0.901 118.392 119.300 -0.012 0.000 2.440 108 C HA -0.063 4.388 4.460 -0.014 0.000 0.278 108 C C 2.467 177.461 174.990 0.007 0.000 1.295 108 C CA 1.046 60.069 59.018 0.007 0.000 1.738 108 C CB -1.129 26.626 27.740 0.024 0.000 1.987 108 C HN 0.684 nan 8.230 nan 0.000 0.492 109 D N 0.729 121.131 120.400 0.004 0.000 2.104 109 D HA -0.153 4.478 4.640 -0.014 0.000 0.194 109 D C 2.119 178.435 176.300 0.025 0.000 0.994 109 D CA 1.578 55.582 54.000 0.007 0.000 0.830 109 D CB -0.259 40.533 40.800 -0.014 0.000 0.959 109 D HN 0.477 nan 8.370 nan 0.000 0.452 110 E N 0.187 120.397 120.200 0.016 0.000 2.047 110 E HA -0.057 4.285 4.350 -0.014 0.000 0.191 110 E C 1.894 178.537 176.600 0.071 0.000 0.987 110 E CA 1.615 58.047 56.400 0.053 0.000 0.799 110 E CB -0.581 29.133 29.700 0.023 0.000 0.752 110 E HN 0.211 nan 8.360 nan 0.000 0.449 111 A N -0.137 122.691 122.820 0.013 0.000 1.908 111 A HA -0.218 4.093 4.320 -0.014 0.000 0.218 111 A C 2.482 179.994 177.584 -0.119 0.000 1.181 111 A CA 2.839 54.855 52.037 -0.034 0.000 0.627 111 A CB -1.404 17.581 19.000 -0.025 0.000 0.818 111 A HN 0.525 nan 8.150 nan 0.000 0.445 112 T N -3.804 110.676 114.554 -0.122 0.000 2.857 112 T HA -0.187 4.155 4.350 -0.014 0.000 0.266 112 T C 1.855 176.476 174.700 -0.132 0.000 1.048 112 T CA 1.419 63.387 62.100 -0.220 0.000 1.139 112 T CB -0.633 68.145 68.868 -0.150 0.000 0.874 112 T HN 0.448 nan 8.240 nan 0.000 0.455 113 Y N 2.342 122.564 120.300 -0.129 0.000 2.114 113 Y HA -0.196 4.346 4.550 -0.014 0.000 0.282 113 Y C 2.621 178.459 175.900 -0.103 0.000 1.165 113 Y CA 1.840 59.882 58.100 -0.097 0.000 1.148 113 Y CB -0.634 37.788 38.460 -0.064 0.000 0.972 113 Y HN 0.255 nan 8.280 nan 0.000 0.504 114 Q N -1.004 118.698 119.800 -0.163 0.000 2.291 114 Q HA -0.124 4.207 4.340 -0.014 0.000 0.205 114 Q C 1.495 177.351 176.000 -0.240 0.000 0.970 114 Q CA 0.871 56.538 55.803 -0.225 0.000 0.876 114 Q CB -0.075 28.621 28.738 -0.070 0.000 0.935 114 Q HN 0.358 nan 8.270 nan 0.000 0.455 115 L N -1.006 120.063 121.223 -0.257 0.000 2.591 115 L HA 0.153 4.484 4.340 -0.014 0.000 0.228 115 L C 1.117 177.819 176.870 -0.281 0.000 1.133 115 L CA 1.179 55.853 54.840 -0.275 0.000 0.880 115 L CB -0.274 41.538 42.059 -0.412 0.000 1.033 115 L HN 0.308 nan 8.230 nan 0.000 0.450 116 G N -0.217 108.404 108.800 -0.297 0.000 2.149 116 G HA2 -0.240 3.711 3.960 -0.014 0.000 0.235 116 G HA3 -0.240 3.711 3.960 -0.014 0.000 0.235 116 G C 0.059 174.828 174.900 -0.218 0.000 1.018 116 G CA 0.233 45.177 45.100 -0.259 0.000 0.728 116 G HN 0.278 nan 8.290 nan 0.000 0.508 117 L N -0.198 120.894 121.223 -0.218 0.000 2.354 117 L HA 0.608 4.939 4.340 -0.014 0.000 0.269 117 L C -0.623 176.215 176.870 -0.053 0.000 1.005 117 L CA -1.179 53.562 54.840 -0.166 0.000 0.819 117 L CB 1.933 43.832 42.059 -0.265 0.000 1.311 117 L HN 0.078 nan 8.230 nan 0.000 0.423 118 D N 2.007 122.404 120.400 -0.004 0.000 2.359 118 D HA 0.186 4.818 4.640 -0.014 0.000 0.230 118 D C 0.654 176.981 176.300 0.046 0.000 1.118 118 D CA -0.206 53.818 54.000 0.039 0.000 0.844 118 D CB 1.487 42.315 40.800 0.047 0.000 1.059 118 D HN 0.495 nan 8.370 nan 0.000 0.493 119 M N 3.107 122.735 119.600 0.048 0.000 2.108 119 M HA -0.159 4.313 4.480 -0.014 0.000 0.261 119 M C 1.388 177.729 176.300 0.069 0.000 1.066 119 M CA 1.573 56.911 55.300 0.063 0.000 1.107 119 M CB 0.167 32.798 32.600 0.051 0.000 1.356 119 M HN 0.439 nan 8.290 nan 0.000 0.406 120 E N -0.253 119.977 120.200 0.051 0.000 2.110 120 E HA -0.269 4.072 4.350 -0.014 0.000 0.193 120 E C 1.863 178.492 176.600 0.049 0.000 0.988 120 E CA 1.499 57.925 56.400 0.043 0.000 0.804 120 E CB -0.202 29.520 29.700 0.036 0.000 0.745 120 E HN 0.650 nan 8.360 nan 0.000 0.458 121 E N 0.455 120.689 120.200 0.057 0.000 2.107 121 E HA -0.180 4.161 4.350 -0.014 0.000 0.191 121 E C 1.960 178.599 176.600 0.064 0.000 0.982 121 E CA 0.469 56.904 56.400 0.058 0.000 0.809 121 E CB 0.186 29.923 29.700 0.061 0.000 0.756 121 E HN 0.083 nan 8.360 nan 0.000 0.459 122 L N 1.613 122.896 121.223 0.100 0.000 2.093 122 L HA -0.130 4.201 4.340 -0.014 0.000 0.208 122 L C 2.089 179.019 176.870 0.100 0.000 1.085 122 L CA 1.637 56.569 54.840 0.153 0.000 0.755 122 L CB -0.742 41.460 42.059 0.238 0.000 0.904 122 L HN 0.146 nan 8.230 nan 0.000 0.435 123 E N -0.682 119.569 120.200 0.084 0.000 2.118 123 E HA -0.216 4.125 4.350 -0.014 0.000 0.195 123 E C 1.836 178.397 176.600 -0.065 0.000 0.992 123 E CA 0.928 57.348 56.400 0.033 0.000 0.804 123 E CB -0.000 29.721 29.700 0.035 0.000 0.741 123 E HN 0.403 nan 8.360 nan 0.000 0.458 124 E N 0.224 120.397 120.200 -0.044 0.000 2.338 124 E HA -0.115 4.226 4.350 -0.014 0.000 0.197 124 E C 1.856 178.386 176.600 -0.117 0.000 1.007 124 E CA 0.552 56.923 56.400 -0.048 0.000 0.849 124 E CB 0.024 29.732 29.700 0.012 0.000 0.774 124 E HN 0.406 nan 8.360 nan 0.000 0.506 125 I N 0.799 121.235 120.570 -0.223 0.000 2.617 125 I HA -0.109 4.053 4.170 -0.014 0.000 0.256 125 I C 1.379 177.177 176.117 -0.532 0.000 1.167 125 I CA 0.247 61.340 61.300 -0.344 0.000 1.469 125 I CB 0.101 37.894 38.000 -0.346 0.000 1.098 125 I HN -0.028 nan 8.210 nan 0.000 0.436 126 E N 2.706 122.487 120.200 -0.699 0.000 2.415 126 E HA -0.045 4.297 4.350 -0.014 0.000 0.263 126 E C -0.227 176.278 176.600 -0.158 0.000 0.995 126 E CA -0.235 55.823 56.400 -0.569 0.000 0.915 126 E CB 0.598 30.099 29.700 -0.331 0.000 0.951 126 E HN 0.088 nan 8.360 nan 0.000 0.449 127 E N 3.490 123.692 120.200 0.003 0.000 2.360 127 E HA 0.038 4.380 4.350 -0.014 0.000 0.269 127 E C -0.755 175.942 176.600 0.161 0.000 1.022 127 E CA -0.144 56.342 56.400 0.143 0.000 0.887 127 E CB 0.646 30.528 29.700 0.304 0.000 0.990 127 E HN 0.482 nan 8.360 nan 0.000 0.426 128 D N 0.883 121.345 120.400 0.104 0.000 2.443 128 D HA 0.115 4.747 4.640 -0.014 0.000 0.239 128 D C -0.277 176.043 176.300 0.033 0.000 1.136 128 D CA 0.237 54.268 54.000 0.052 0.000 0.879 128 D CB 0.549 41.361 40.800 0.020 0.000 1.195 128 D HN 0.374 nan 8.370 nan 0.000 0.443 129 A N 2.348 125.132 122.820 -0.061 0.000 2.671 129 A HA 0.473 4.785 4.320 -0.014 0.000 0.306 129 A C 1.018 178.428 177.584 -0.290 0.000 1.473 129 A CA -0.374 51.411 52.037 -0.420 0.000 1.155 129 A CB -0.228 18.599 19.000 -0.288 0.000 1.123 129 A HN 0.524 nan 8.150 nan 0.000 0.545 130 G N 2.170 110.754 108.800 -0.361 0.000 3.943 130 G HA2 0.421 4.372 3.960 -0.014 0.000 0.275 130 G HA3 0.421 4.372 3.960 -0.014 0.000 0.275 130 G C 0.286 174.995 174.900 -0.318 0.000 1.234 130 G CA -0.297 44.712 45.100 -0.152 0.000 1.522 130 G HN 0.692 nan 8.290 nan 0.000 0.636 131 L N 1.314 122.399 121.223 -0.231 0.000 2.888 131 L HA 0.399 4.730 4.340 -0.014 0.000 0.237 131 L C 1.011 177.818 176.870 -0.106 0.000 1.288 131 L CA -0.218 54.568 54.840 -0.089 0.000 1.110 131 L CB -0.318 41.809 42.059 0.113 0.000 1.441 131 L HN 0.326 nan 8.230 nan 0.000 0.474 132 G N -1.244 107.267 108.800 -0.480 0.000 2.623 132 G HA2 0.192 4.143 3.960 -0.014 0.000 0.290 132 G HA3 0.192 4.143 3.960 -0.014 0.000 0.290 132 G C -0.186 174.211 174.900 -0.838 0.000 1.437 132 G CA -0.446 44.336 45.100 -0.531 0.000 0.798 132 G HN -0.091 nan 8.290 nan 0.000 0.488 133 N N -0.860 117.581 118.700 -0.431 0.000 2.439 133 N HA 0.220 4.952 4.740 -0.014 0.000 0.176 133 N C 1.127 176.595 175.510 -0.069 0.000 1.029 133 N CA 1.298 54.194 53.050 -0.258 0.000 0.886 133 N CB 1.250 39.702 38.487 -0.058 0.000 1.057 133 N HN 0.833 nan 8.380 nan 0.000 0.437 134 G N -0.752 108.100 108.800 0.086 0.000 2.818 134 G HA2 0.214 4.165 3.960 -0.014 0.000 0.109 134 G HA3 0.214 4.165 3.960 -0.014 0.000 0.109 134 G C 0.683 175.712 174.900 0.215 0.000 1.206 134 G CA 0.233 45.489 45.100 0.259 0.000 1.243 134 G HN 0.143 nan 8.290 nan 0.000 0.609 135 G N 0.319 109.187 108.800 0.113 0.000 2.440 135 G HA2 -0.053 3.899 3.960 -0.014 0.000 0.218 135 G HA3 -0.053 3.899 3.960 -0.014 0.000 0.218 135 G C 1.863 176.760 174.900 -0.004 0.000 1.154 135 G CA 1.493 46.621 45.100 0.047 0.000 0.767 135 G HN 0.770 nan 8.290 nan 0.000 0.552 136 L N 0.549 121.747 121.223 -0.043 0.000 2.056 136 L HA 0.137 4.468 4.340 -0.014 0.000 0.207 136 L C 2.805 179.601 176.870 -0.123 0.000 1.078 136 L CA 1.889 56.613 54.840 -0.194 0.000 0.749 136 L CB -0.550 41.345 42.059 -0.274 0.000 0.901 136 L HN 0.216 nan 8.230 nan 0.000 0.433 137 G N -0.512 108.278 108.800 -0.017 0.000 2.408 137 G HA2 -0.308 3.644 3.960 -0.014 0.000 0.217 137 G HA3 -0.308 3.644 3.960 -0.014 0.000 0.217 137 G C 1.647 176.621 174.900 0.123 0.000 1.150 137 G CA 0.722 45.841 45.100 0.032 0.000 0.776 137 G HN 0.309 nan 8.290 nan 0.000 0.542 138 R N -0.035 120.568 120.500 0.171 0.000 2.115 138 R HA 0.154 4.485 4.340 -0.014 0.000 0.226 138 R C 2.291 178.593 176.300 0.004 0.000 1.100 138 R CA 0.729 56.895 56.100 0.111 0.000 0.980 138 R CB -0.842 29.484 30.300 0.044 0.000 0.875 138 R HN 0.326 nan 8.270 nan 0.000 0.445 139 L N 0.214 121.371 121.223 -0.110 0.000 2.017 139 L HA -0.025 4.307 4.340 -0.014 0.000 0.208 139 L C 2.111 178.687 176.870 -0.490 0.000 1.073 139 L CA 2.193 56.822 54.840 -0.351 0.000 0.745 139 L CB -0.880 40.932 42.059 -0.411 0.000 0.894 139 L HN 0.260 nan 8.230 nan 0.000 0.432 140 A N -0.588 122.074 122.820 -0.262 0.000 1.917 140 A HA -0.208 4.104 4.320 -0.014 0.000 0.219 140 A C 2.439 180.069 177.584 0.076 0.000 1.182 140 A CA 2.083 54.037 52.037 -0.138 0.000 0.633 140 A CB -1.204 17.664 19.000 -0.219 0.000 0.819 140 A HN 0.584 nan 8.150 nan 0.000 0.448 141 A N -1.128 121.773 122.820 0.134 0.000 1.873 141 A HA -0.147 4.164 4.320 -0.014 0.000 0.215 141 A C 2.322 179.979 177.584 0.120 0.000 1.186 141 A CA 1.634 53.776 52.037 0.175 0.000 0.616 141 A CB -1.272 17.821 19.000 0.154 0.000 0.823 141 A HN 0.610 nan 8.150 nan 0.000 0.442 142 C N -1.441 117.930 119.300 0.118 0.000 2.429 142 C HA -0.070 4.381 4.460 -0.014 0.000 0.277 142 C C 2.427 177.576 174.990 0.266 0.000 1.262 142 C CA 0.623 59.751 59.018 0.183 0.000 1.733 142 C CB -1.637 26.232 27.740 0.215 0.000 2.010 142 C HN 0.601 nan 8.230 nan 0.000 0.483 143 F N 1.262 121.193 119.950 -0.030 0.000 2.095 143 F HA -0.096 4.422 4.527 -0.015 0.000 0.298 143 F C 2.264 178.001 175.800 -0.106 0.000 1.104 143 F CA 1.057 58.986 58.000 -0.119 0.000 1.232 143 F CB -1.416 37.378 39.000 -0.343 0.000 0.987 143 F HN 0.193 nan 8.300 nan 0.000 0.475 144 L N -0.368 120.926 121.223 0.118 0.000 2.042 144 L HA -0.264 4.067 4.340 -0.014 0.000 0.210 144 L C 2.168 179.044 176.870 0.012 0.000 1.076 144 L CA 2.000 56.863 54.840 0.039 0.000 0.749 144 L CB -0.808 41.275 42.059 0.040 0.000 0.893 144 L HN 0.120 nan 8.230 nan 0.000 0.432 145 D N -0.495 119.923 120.400 0.030 0.000 2.097 145 D HA -0.175 4.457 4.640 -0.014 0.000 0.195 145 D C 2.201 178.513 176.300 0.020 0.000 0.989 145 D CA 1.535 55.539 54.000 0.006 0.000 0.827 145 D CB 0.197 41.000 40.800 0.005 0.000 0.966 145 D HN 0.091 nan 8.370 nan 0.000 0.456 146 S N -0.707 115.021 115.700 0.048 0.000 2.368 146 S HA -0.111 4.350 4.470 -0.014 0.000 0.224 146 S C 2.001 176.610 174.600 0.014 0.000 1.029 146 S CA 0.888 59.108 58.200 0.033 0.000 0.988 146 S CB -0.229 62.996 63.200 0.042 0.000 0.838 146 S HN 0.341 nan 8.310 nan 0.000 0.462 147 M N 1.027 120.628 119.600 0.001 0.000 2.159 147 M HA -0.115 4.356 4.480 -0.014 0.000 0.263 147 M C 2.451 178.748 176.300 -0.005 0.000 1.063 147 M CA 1.482 56.780 55.300 -0.005 0.000 1.110 147 M CB -0.526 32.052 32.600 -0.038 0.000 1.374 147 M HN 0.399 nan 8.290 nan 0.000 0.411 148 A N -0.380 122.433 122.820 -0.012 0.000 1.898 148 A HA -0.111 4.200 4.320 -0.014 0.000 0.216 148 A C 2.167 179.759 177.584 0.014 0.000 1.181 148 A CA 1.957 53.990 52.037 -0.008 0.000 0.620 148 A CB -1.000 17.977 19.000 -0.038 0.000 0.819 148 A HN 0.420 nan 8.150 nan 0.000 0.442 149 T N 0.206 114.773 114.554 0.023 0.000 2.867 149 T HA 0.025 4.366 4.350 -0.014 0.000 0.268 149 T C 1.341 176.067 174.700 0.043 0.000 1.057 149 T CA 1.050 63.178 62.100 0.047 0.000 1.136 149 T CB -0.250 68.654 68.868 0.060 0.000 0.874 149 T HN 0.338 nan 8.240 nan 0.000 0.466 150 L N 0.438 121.682 121.223 0.036 0.000 2.629 150 L HA 0.302 4.633 4.340 -0.014 0.000 0.230 150 L C 1.639 178.538 176.870 0.048 0.000 1.151 150 L CA -0.046 54.819 54.840 0.040 0.000 0.924 150 L CB -0.323 41.760 42.059 0.040 0.000 1.137 150 L HN 0.397 nan 8.230 nan 0.000 0.457 151 G N 0.981 109.812 108.800 0.052 0.000 2.198 151 G HA2 -0.284 3.668 3.960 -0.014 0.000 0.260 151 G HA3 -0.284 3.668 3.960 -0.014 0.000 0.260 151 G C 0.134 175.087 174.900 0.089 0.000 1.025 151 G CA 0.009 45.158 45.100 0.083 0.000 0.769 151 G HN 0.275 nan 8.290 nan 0.000 0.507 152 L N -0.132 121.111 121.223 0.034 0.000 2.375 152 L HA 0.602 4.934 4.340 -0.014 0.000 0.271 152 L C 1.268 178.023 176.870 -0.192 0.000 1.107 152 L CA -0.326 54.487 54.840 -0.044 0.000 0.806 152 L CB 1.480 43.522 42.059 -0.028 0.000 1.146 152 L HN 0.255 nan 8.230 nan 0.000 0.447 153 A N 2.920 125.481 122.820 -0.431 0.000 2.981 153 A HA 0.542 4.854 4.320 -0.014 0.000 0.280 153 A C 0.300 177.538 177.584 -0.576 0.000 1.743 153 A CA -0.123 51.365 52.037 -0.915 0.000 1.430 153 A CB -0.734 17.647 19.000 -1.031 0.000 1.085 153 A HN 0.696 nan 8.150 nan 0.000 0.597 154 A N 1.500 124.019 122.820 -0.501 0.000 2.350 154 A HA 0.797 5.108 4.320 -0.014 0.000 0.324 154 A C -1.039 176.262 177.584 -0.470 0.000 1.118 154 A CA -0.470 51.340 52.037 -0.377 0.000 0.783 154 A CB 0.822 19.672 19.000 -0.250 0.000 1.236 154 A HN 0.614 nan 8.150 nan 0.000 0.457 155 Y N 0.356 120.577 120.300 -0.130 0.000 2.373 155 Y HA 0.536 5.077 4.550 -0.014 0.000 0.336 155 Y C 0.836 176.812 175.900 0.126 0.000 0.979 155 Y CA -0.562 57.533 58.100 -0.009 0.000 1.080 155 Y CB 2.431 40.965 38.460 0.123 0.000 1.190 155 Y HN 0.840 nan 8.280 nan 0.000 0.446 156 G N 2.212 111.086 108.800 0.123 0.000 2.338 156 G HA2 0.443 4.394 3.960 -0.014 0.000 0.298 156 G HA3 0.443 4.394 3.960 -0.014 0.000 0.298 156 G C -1.744 173.164 174.900 0.012 0.000 1.140 156 G CA -0.224 44.988 45.100 0.186 0.000 0.860 156 G HN 0.525 nan 8.290 nan 0.000 0.470 157 Y N 1.027 121.557 120.300 0.382 0.000 2.361 157 Y HA 0.626 5.167 4.550 -0.014 0.000 0.337 157 Y C 0.739 176.942 175.900 0.505 0.000 0.965 157 Y CA 0.181 58.470 58.100 0.316 0.000 1.091 157 Y CB 2.661 41.333 38.460 0.353 0.000 1.182 157 Y HN 0.877 nan 8.280 nan 0.000 0.450 158 G N 2.358 111.477 108.800 0.530 0.000 2.753 158 G HA2 0.596 4.547 3.960 -0.014 0.000 0.303 158 G HA3 0.596 4.547 3.960 -0.014 0.000 0.303 158 G C -1.767 173.369 174.900 0.392 0.000 1.242 158 G CA -0.816 44.625 45.100 0.569 0.000 0.810 158 G HN 0.428 nan 8.290 nan 0.000 0.515 159 I N 0.579 121.279 120.570 0.216 0.000 2.441 159 I HA 0.433 4.594 4.170 -0.014 0.000 0.295 159 I C 0.276 176.303 176.117 -0.149 0.000 0.994 159 I CA -0.726 60.584 61.300 0.017 0.000 1.144 159 I CB 2.200 40.008 38.000 -0.318 0.000 1.314 159 I HN 0.346 nan 8.210 nan 0.000 0.445 160 R N 6.201 126.709 120.500 0.014 0.000 2.419 160 R HA 0.239 4.570 4.340 -0.014 0.000 0.305 160 R C -1.327 175.022 176.300 0.082 0.000 1.242 160 R CA -0.426 55.715 56.100 0.067 0.000 1.105 160 R CB 0.012 30.330 30.300 0.031 0.000 1.116 160 R HN 0.403 nan 8.270 nan 0.000 0.523 161 Y N 1.623 122.091 120.300 0.279 0.000 2.425 161 Y HA -0.058 4.483 4.550 -0.015 0.000 0.331 161 Y C 1.579 177.665 175.900 0.310 0.000 1.157 161 Y CA -0.007 58.248 58.100 0.259 0.000 1.372 161 Y CB 0.907 39.501 38.460 0.223 0.000 1.253 161 Y HN 0.599 nan 8.280 nan 0.000 0.536 162 E N 2.214 122.596 120.200 0.303 0.000 2.150 162 E HA -0.082 4.259 4.350 -0.014 0.000 0.193 162 E C -0.752 175.715 176.600 -0.223 0.000 0.985 162 E CA 0.770 57.145 56.400 -0.042 0.000 0.814 162 E CB 0.171 29.765 29.700 -0.177 0.000 0.752 162 E HN 0.509 nan 8.360 nan 0.000 0.466 163 F N -0.404 119.770 119.950 0.373 0.000 2.507 163 F HA 0.450 4.968 4.527 -0.014 0.000 0.328 163 F C 0.773 176.678 175.800 0.176 0.000 1.136 163 F CA -0.828 57.352 58.000 0.301 0.000 0.930 163 F CB 1.913 41.015 39.000 0.171 0.000 1.166 163 F HN -0.105 nan 8.300 nan 0.000 0.436 164 G N 1.802 110.732 108.800 0.216 0.000 2.582 164 G HA2 0.351 4.303 3.960 -0.014 0.000 0.232 164 G HA3 0.351 4.303 3.960 -0.014 0.000 0.232 164 G C -0.555 174.312 174.900 -0.056 0.000 1.458 164 G CA -0.667 44.398 45.100 -0.058 0.000 1.062 164 G HN 0.532 nan 8.290 nan 0.000 0.566 165 I N 1.043 121.500 120.570 -0.187 0.000 2.752 165 I HA 0.205 4.366 4.170 -0.014 0.000 0.289 165 I C 0.523 176.545 176.117 -0.158 0.000 1.197 165 I CA -1.166 59.988 61.300 -0.244 0.000 1.432 165 I CB -0.331 37.424 38.000 -0.407 0.000 1.359 165 I HN 0.320 nan 8.210 nan 0.000 0.571 166 F N 6.257 126.224 119.950 0.028 0.000 2.595 166 F HA 0.230 4.749 4.527 -0.014 0.000 0.359 166 F C 0.548 176.404 175.800 0.092 0.000 1.147 166 F CA -0.582 57.457 58.000 0.064 0.000 1.341 166 F CB -0.381 38.645 39.000 0.042 0.000 1.104 166 F HN 0.422 nan 8.300 nan 0.000 0.603 167 N N 2.435 121.317 118.700 0.303 0.000 2.497 167 N HA 0.034 4.765 4.740 -0.014 0.000 0.271 167 N C -0.727 175.024 175.510 0.402 0.000 1.142 167 N CA -0.232 52.972 53.050 0.258 0.000 0.965 167 N CB 1.124 39.743 38.487 0.221 0.000 1.077 167 N HN 0.760 nan 8.380 nan 0.000 0.462 168 Q N 2.505 122.519 119.800 0.358 0.000 2.274 168 Q HA 0.179 4.511 4.340 -0.014 0.000 0.256 168 Q C -0.939 175.233 176.000 0.287 0.000 0.927 168 Q CA -0.365 55.678 55.803 0.400 0.000 0.939 168 Q CB 0.736 29.721 28.738 0.412 0.000 1.201 168 Q HN 0.257 nan 8.270 nan 0.000 0.426 169 K N 4.193 124.735 120.400 0.238 0.000 2.259 169 K HA 0.475 4.786 4.320 -0.014 0.000 0.252 169 K C -0.679 176.022 176.600 0.169 0.000 0.936 169 K CA -0.935 55.469 56.287 0.195 0.000 0.810 169 K CB 1.579 34.172 32.500 0.154 0.000 1.143 169 K HN 0.628 nan 8.250 nan 0.000 0.427 170 I N 1.912 122.576 120.570 0.156 0.000 2.330 170 I HA 0.172 4.333 4.170 -0.014 0.000 0.289 170 I C -0.174 176.002 176.117 0.098 0.000 1.001 170 I CA -0.686 60.676 61.300 0.103 0.000 1.193 170 I CB 1.016 39.058 38.000 0.071 0.000 1.345 170 I HN 0.506 nan 8.210 nan 0.000 0.461 171 C N 5.239 124.606 119.300 0.113 0.000 2.344 171 C HA 0.626 5.078 4.460 -0.014 0.000 0.326 171 C C 1.098 176.189 174.990 0.168 0.000 1.201 171 C CA 0.247 59.336 59.018 0.119 0.000 1.410 171 C CB -0.234 27.570 27.740 0.107 0.000 2.070 171 C HN 1.104 nan 8.230 nan 0.000 0.445 172 G N 3.992 112.861 108.800 0.115 0.000 2.249 172 G HA2 0.087 4.039 3.960 -0.014 0.000 0.273 172 G HA3 0.087 4.039 3.960 -0.014 0.000 0.273 172 G C 1.189 176.089 174.900 -0.000 0.000 1.036 172 G CA 1.105 46.274 45.100 0.116 0.000 0.824 172 G HN 2.565 nan 8.290 nan 0.000 0.504 173 G N -2.866 105.884 108.800 -0.083 0.000 2.179 173 G HA2 -0.290 3.662 3.960 -0.014 0.000 0.260 173 G HA3 -0.290 3.662 3.960 -0.014 0.000 0.260 173 G C 0.344 174.998 174.900 -0.409 0.000 0.977 173 G CA 0.634 45.564 45.100 -0.283 0.000 0.641 173 G HN 1.213 nan 8.290 nan 0.000 0.533 174 W N 0.859 122.105 121.300 -0.089 0.000 2.496 174 W HA 0.653 5.304 4.660 -0.014 0.000 0.327 174 W C 0.637 177.104 176.519 -0.086 0.000 1.086 174 W CA -0.938 56.349 57.345 -0.097 0.000 1.222 174 W CB 0.898 30.318 29.460 -0.067 0.000 1.304 174 W HN 0.248 nan 8.180 nan 0.000 0.547 175 Q N 3.409 123.306 119.800 0.161 0.000 2.289 175 Q HA 0.180 4.512 4.340 -0.014 0.000 0.273 175 Q C -0.505 175.551 176.000 0.094 0.000 1.029 175 Q CA 0.256 56.124 55.803 0.108 0.000 0.896 175 Q CB 0.519 29.312 28.738 0.092 0.000 1.182 175 Q HN 0.324 nan 8.270 nan 0.000 0.385 176 M N 3.145 122.795 119.600 0.082 0.000 2.456 176 M HA 0.384 4.856 4.480 -0.014 0.000 0.324 176 M C -1.044 175.262 176.300 0.010 0.000 1.124 176 M CA -0.689 54.626 55.300 0.026 0.000 0.959 176 M CB 1.807 34.435 32.600 0.046 0.000 1.692 176 M HN 0.601 nan 8.290 nan 0.000 0.444 177 E N 1.656 121.794 120.200 -0.103 0.000 2.166 177 E HA 0.440 4.781 4.350 -0.014 0.000 0.275 177 E C -0.791 175.804 176.600 -0.009 0.000 0.941 177 E CA -0.554 55.752 56.400 -0.156 0.000 0.784 177 E CB 1.527 30.879 29.700 -0.580 0.000 1.115 177 E HN 0.497 nan 8.360 nan 0.000 0.399 178 E N 0.911 121.185 120.200 0.124 0.000 2.288 178 E HA 0.733 5.075 4.350 -0.014 0.000 0.268 178 E C -0.970 175.727 176.600 0.162 0.000 0.885 178 E CA -1.585 54.879 56.400 0.107 0.000 0.767 178 E CB 1.459 31.225 29.700 0.109 0.000 1.220 178 E HN 0.440 nan 8.360 nan 0.000 0.427 179 A N 2.003 124.879 122.820 0.092 0.000 2.567 179 A HA 0.017 4.328 4.320 -0.014 0.000 0.240 179 A C -0.105 177.657 177.584 0.296 0.000 1.053 179 A CA 0.285 52.390 52.037 0.113 0.000 0.755 179 A CB -0.192 18.750 19.000 -0.097 0.000 0.978 179 A HN 0.704 nan 8.150 nan 0.000 0.507 180 D N 1.951 122.595 120.400 0.406 0.000 2.522 180 D HA 0.192 4.824 4.640 -0.014 0.000 0.218 180 D C -0.390 176.241 176.300 0.551 0.000 1.149 180 D CA -0.211 54.032 54.000 0.405 0.000 0.981 180 D CB 0.309 41.281 40.800 0.288 0.000 1.041 180 D HN 0.383 nan 8.370 nan 0.000 0.518 181 D N 3.689 124.372 120.400 0.472 0.000 2.688 181 D HA -0.026 4.605 4.640 -0.014 0.000 0.228 181 D C 1.080 177.499 176.300 0.199 0.000 1.116 181 D CA -0.526 53.651 54.000 0.295 0.000 1.023 181 D CB -0.166 40.812 40.800 0.298 0.000 1.100 181 D HN 0.567 nan 8.370 nan 0.000 0.487 182 W N 1.955 123.278 121.300 0.038 0.000 2.595 182 W HA -0.016 4.636 4.660 -0.014 0.000 0.257 182 W C 0.120 176.692 176.519 0.088 0.000 1.267 182 W CA 0.063 57.462 57.345 0.089 0.000 1.300 182 W CB -0.664 28.853 29.460 0.094 0.000 1.120 182 W HN 0.171 nan 8.180 nan 0.000 0.618 183 L N 1.029 121.865 121.223 -0.644 0.000 2.592 183 L HA 0.186 4.518 4.340 -0.014 0.000 0.227 183 L C 2.761 179.457 176.870 -0.290 0.000 1.127 183 L CA -0.021 54.429 54.840 -0.650 0.000 0.884 183 L CB -0.637 40.927 42.059 -0.826 0.000 1.065 183 L HN -0.114 nan 8.230 nan 0.000 0.457 184 R N 0.517 120.900 120.500 -0.195 0.000 2.113 184 R HA -0.236 4.096 4.340 -0.014 0.000 0.244 184 R C 1.483 177.586 176.300 -0.328 0.000 1.142 184 R CA 2.156 58.092 56.100 -0.274 0.000 0.953 184 R CB -0.194 29.900 30.300 -0.344 0.000 0.860 184 R HN 0.324 nan 8.270 nan 0.000 0.438 185 Y N -0.734 119.584 120.300 0.030 0.000 2.466 185 Y HA 0.310 4.851 4.550 -0.014 0.000 0.272 185 Y C 0.839 176.740 175.900 0.001 0.000 1.169 185 Y CA 0.441 58.584 58.100 0.071 0.000 1.285 185 Y CB 0.829 39.456 38.460 0.277 0.000 1.078 185 Y HN 0.396 nan 8.280 nan 0.000 0.523 186 G N 1.419 110.263 108.800 0.073 0.000 2.719 186 G HA2 -0.231 3.720 3.960 -0.014 0.000 0.686 186 G HA3 -0.231 3.720 3.960 -0.014 0.000 0.686 186 G C -1.227 173.744 174.900 0.118 0.000 1.201 186 G CA -0.848 44.250 45.100 -0.003 0.000 0.768 186 G HN 0.261 nan 8.290 nan 0.000 0.629 187 N N 1.919 120.628 118.700 0.015 0.000 2.511 187 N HA 0.596 5.327 4.740 -0.014 0.000 0.249 187 N C -0.604 174.920 175.510 0.022 0.000 0.971 187 N CA -2.222 50.869 53.050 0.069 0.000 0.938 187 N CB 1.832 40.286 38.487 -0.055 0.000 1.131 187 N HN 0.233 nan 8.380 nan 0.000 0.505 188 P HA 0.046 nan 4.420 nan 0.000 0.237 188 P C 0.200 177.166 177.300 -0.556 0.000 1.178 188 P CA 0.663 63.484 63.100 -0.465 0.000 0.766 188 P CB -0.032 31.219 31.700 -0.749 0.000 0.876 189 W N 1.600 122.930 121.300 0.049 0.000 3.278 189 W HA 0.162 4.814 4.660 -0.014 0.000 0.308 189 W C 0.747 177.312 176.519 0.076 0.000 1.253 189 W CA -0.559 56.806 57.345 0.033 0.000 1.759 189 W CB 0.175 29.662 29.460 0.045 0.000 1.093 189 W HN 0.037 nan 8.180 nan 0.000 0.648 190 E N 0.883 121.236 120.200 0.254 0.000 2.244 190 E HA 0.544 4.885 4.350 -0.014 0.000 0.266 190 E C -0.983 175.767 176.600 0.250 0.000 0.914 190 E CA -1.218 55.351 56.400 0.282 0.000 0.794 190 E CB 1.920 31.800 29.700 0.300 0.000 1.210 190 E HN -0.253 nan 8.360 nan 0.000 0.414 191 K N 1.656 122.216 120.400 0.267 0.000 2.450 191 K HA 0.476 4.787 4.320 -0.014 0.000 0.257 191 K C -1.075 175.541 176.600 0.027 0.000 0.953 191 K CA -0.440 55.935 56.287 0.147 0.000 0.844 191 K CB 1.617 34.190 32.500 0.122 0.000 1.103 191 K HN 0.681 nan 8.250 nan 0.000 0.429 192 A N 4.353 127.105 122.820 -0.114 0.000 2.511 192 A HA 0.257 4.568 4.320 -0.014 0.000 0.242 192 A C -0.347 177.072 177.584 -0.275 0.000 1.069 192 A CA -0.054 51.669 52.037 -0.522 0.000 0.763 192 A CB 0.170 18.842 19.000 -0.547 0.000 1.001 192 A HN 0.700 nan 8.150 nan 0.000 0.498 193 R N 3.800 124.145 120.500 -0.257 0.000 2.724 193 R HA 0.209 4.541 4.340 -0.014 0.000 0.284 193 R C -2.450 173.836 176.300 -0.024 0.000 1.481 193 R CA -1.820 54.254 56.100 -0.043 0.000 1.652 193 R CB 0.610 30.999 30.300 0.149 0.000 1.175 193 R HN 0.584 nan 8.270 nan 0.000 0.613 194 P HA -0.180 nan 4.420 nan 0.000 0.222 194 P C 0.845 178.108 177.300 -0.062 0.000 1.147 194 P CA 1.116 64.180 63.100 -0.060 0.000 0.790 194 P CB 0.404 32.061 31.700 -0.071 0.000 0.780 195 E N -0.187 119.913 120.200 -0.166 0.000 2.418 195 E HA -0.114 4.227 4.350 -0.014 0.000 0.197 195 E C 0.555 176.900 176.600 -0.425 0.000 1.026 195 E CA 0.675 56.879 56.400 -0.327 0.000 0.862 195 E CB -0.811 28.596 29.700 -0.488 0.000 0.799 195 E HN 0.290 nan 8.360 nan 0.000 0.518 196 F N 1.724 121.690 119.950 0.026 0.000 2.684 196 F HA 0.251 4.770 4.527 -0.014 0.000 0.298 196 F C 0.429 176.331 175.800 0.168 0.000 1.120 196 F CA -0.402 57.648 58.000 0.084 0.000 1.332 196 F CB 0.372 39.419 39.000 0.077 0.000 0.986 196 F HN -0.291 nan 8.300 nan 0.000 0.524 197 T N 3.121 117.812 114.554 0.229 0.000 2.928 197 T HA 0.346 4.687 4.350 -0.014 0.000 0.305 197 T C 0.021 174.819 174.700 0.163 0.000 1.035 197 T CA 0.472 62.705 62.100 0.221 0.000 1.145 197 T CB 0.471 69.416 68.868 0.128 0.000 0.963 197 T HN 0.050 nan 8.240 nan 0.000 0.545 198 L N 5.595 126.888 121.223 0.117 0.000 2.370 198 L HA 0.525 4.856 4.340 -0.014 0.000 0.266 198 L C -2.250 174.582 176.870 -0.064 0.000 1.002 198 L CA -2.554 52.285 54.840 -0.002 0.000 0.818 198 L CB 2.667 44.660 42.059 -0.109 0.000 1.325 198 L HN 0.398 nan 8.230 nan 0.000 0.418 199 P HA 0.283 nan 4.420 nan 0.000 0.288 199 P C -1.166 176.025 177.300 -0.183 0.000 1.267 199 P CA -0.397 62.632 63.100 -0.119 0.000 0.815 199 P CB 1.959 33.591 31.700 -0.114 0.000 0.989 200 V N 4.029 123.815 119.914 -0.213 0.000 2.604 200 V HA 0.331 4.442 4.120 -0.014 0.000 0.305 200 V C 0.200 176.093 176.094 -0.336 0.000 1.043 200 V CA -0.609 61.549 62.300 -0.236 0.000 0.888 200 V CB 1.418 33.129 31.823 -0.186 0.000 0.995 200 V HN 0.598 nan 8.190 nan 0.000 0.429 201 H N 3.817 122.725 119.070 -0.271 0.000 2.472 201 H HA 0.618 5.165 4.556 -0.014 0.000 0.338 201 H C -1.297 173.770 175.328 -0.436 0.000 1.133 201 H CA -0.132 55.689 56.048 -0.378 0.000 1.216 201 H CB 1.924 31.233 29.762 -0.755 0.000 1.497 201 H HN 0.484 nan 8.280 nan 0.000 0.500 202 F N 0.376 120.396 119.950 0.117 0.000 2.613 202 F HA 0.201 4.720 4.527 -0.014 0.000 0.314 202 F C -0.269 175.670 175.800 0.230 0.000 1.075 202 F CA -0.555 57.527 58.000 0.136 0.000 0.945 202 F CB 1.135 40.126 39.000 -0.015 0.000 1.310 202 F HN 0.562 nan 8.300 nan 0.000 0.467 203 Y N 0.223 120.834 120.300 0.518 0.000 2.896 203 Y HA -0.013 4.528 4.550 -0.014 0.000 0.466 203 Y C 1.335 177.501 175.900 0.443 0.000 1.196 203 Y CA 0.700 59.020 58.100 0.367 0.000 2.514 203 Y CB -1.898 36.705 38.460 0.238 0.000 1.231 203 Y HN 1.284 nan 8.280 nan 0.000 0.632 204 G N 0.592 109.680 108.800 0.479 0.000 2.593 204 G HA2 0.116 4.068 3.960 -0.014 0.000 0.237 204 G HA3 0.116 4.068 3.960 -0.014 0.000 0.237 204 G C -0.611 174.509 174.900 0.365 0.000 1.312 204 G CA 0.903 46.209 45.100 0.344 0.000 0.896 204 G HN 1.385 nan 8.290 nan 0.000 0.574 205 R N -2.545 118.168 120.500 0.354 0.000 2.716 205 R HA 0.698 5.030 4.340 -0.014 0.000 0.271 205 R C -1.308 175.129 176.300 0.228 0.000 1.028 205 R CA -1.008 55.237 56.100 0.242 0.000 0.883 205 R CB 1.304 31.694 30.300 0.150 0.000 1.250 205 R HN 0.888 nan 8.270 nan 0.000 0.465 206 V N 0.879 120.845 119.914 0.087 0.000 2.427 206 V HA 0.366 4.478 4.120 -0.014 0.000 0.286 206 V C -0.146 175.900 176.094 -0.079 0.000 1.034 206 V CA -0.471 61.812 62.300 -0.029 0.000 0.893 206 V CB 1.289 33.025 31.823 -0.144 0.000 0.982 206 V HN 0.719 nan 8.190 nan 0.000 0.452 207 E N 2.740 122.866 120.200 -0.123 0.000 2.187 207 E HA 0.420 4.762 4.350 -0.014 0.000 0.268 207 E C -1.079 175.390 176.600 -0.219 0.000 0.896 207 E CA -0.724 55.621 56.400 -0.092 0.000 0.766 207 E CB 1.044 30.736 29.700 -0.013 0.000 1.142 207 E HN 0.718 nan 8.360 nan 0.000 0.408 208 H N 2.232 121.317 119.070 0.025 0.000 2.519 208 H HA 0.228 4.776 4.556 -0.014 0.000 0.316 208 H C 0.165 175.502 175.328 0.016 0.000 1.065 208 H CA -0.278 55.780 56.048 0.017 0.000 1.264 208 H CB 1.449 31.216 29.762 0.009 0.000 1.413 208 H HN 0.580 nan 8.280 nan 0.000 0.465 209 T N -0.792 113.826 114.554 0.106 0.000 2.870 209 T HA 0.208 4.550 4.350 -0.014 0.000 0.277 209 T C 1.418 176.156 174.700 0.064 0.000 1.000 209 T CA -0.705 61.436 62.100 0.068 0.000 0.982 209 T CB 1.074 69.966 68.868 0.039 0.000 1.249 209 T HN 0.364 nan 8.240 nan 0.000 0.589 210 S N 1.017 116.743 115.700 0.043 0.000 2.359 210 S HA -0.107 4.354 4.470 -0.014 0.000 0.224 210 S C 0.947 175.568 174.600 0.035 0.000 1.035 210 S CA 1.438 59.659 58.200 0.034 0.000 1.018 210 S CB -0.514 62.702 63.200 0.025 0.000 0.876 210 S HN 0.875 nan 8.310 nan 0.000 0.448 211 Q N 0.834 120.654 119.800 0.034 0.000 2.842 211 Q HA 0.659 4.991 4.340 -0.014 0.000 0.323 211 Q C 0.254 176.276 176.000 0.037 0.000 1.111 211 Q CA -0.062 55.761 55.803 0.033 0.000 1.047 211 Q CB 0.190 28.944 28.738 0.026 0.000 1.280 211 Q HN 0.289 nan 8.270 nan 0.000 0.475 212 G N -0.012 108.820 108.800 0.053 0.000 2.592 212 G HA2 0.245 4.196 3.960 -0.014 0.000 0.684 212 G HA3 0.245 4.196 3.960 -0.014 0.000 0.684 212 G C -0.827 174.103 174.900 0.050 0.000 1.291 212 G CA -0.627 44.509 45.100 0.059 0.000 0.891 212 G HN 0.919 nan 8.290 nan 0.000 0.544 213 A N 0.107 122.938 122.820 0.019 0.000 2.322 213 A HA 0.784 5.096 4.320 -0.014 0.000 0.269 213 A C 0.396 177.933 177.584 -0.078 0.000 1.094 213 A CA 0.125 52.093 52.037 -0.115 0.000 0.807 213 A CB 0.779 19.665 19.000 -0.189 0.000 1.047 213 A HN 0.764 nan 8.150 nan 0.000 0.487 214 K N 0.536 120.880 120.400 -0.093 0.000 2.468 214 K HA 0.209 4.521 4.320 -0.014 0.000 0.252 214 K C -1.917 174.720 176.600 0.062 0.000 0.932 214 K CA -0.361 55.919 56.287 -0.010 0.000 0.794 214 K CB 2.215 34.710 32.500 -0.007 0.000 1.241 214 K HN 0.738 nan 8.250 nan 0.000 0.428 215 W N 5.207 126.430 121.300 -0.128 0.000 2.308 215 W HA 0.375 5.026 4.660 -0.014 0.000 0.311 215 W C -0.709 175.759 176.519 -0.084 0.000 1.088 215 W CA -0.767 56.511 57.345 -0.112 0.000 1.309 215 W CB 0.212 29.592 29.460 -0.134 0.000 1.229 215 W HN 0.305 nan 8.180 nan 0.000 0.427 216 V N 2.818 122.792 119.914 0.101 0.000 3.141 216 V HA 0.617 4.728 4.120 -0.014 0.000 0.312 216 V C -0.287 175.800 176.094 -0.012 0.000 1.157 216 V CA -0.996 61.290 62.300 -0.022 0.000 1.041 216 V CB 2.017 33.852 31.823 0.019 0.000 1.071 216 V HN 0.471 nan 8.190 nan 0.000 0.441 217 D N 0.243 120.634 120.400 -0.015 0.000 2.772 217 D HA -0.135 4.496 4.640 -0.014 0.000 0.233 217 D C 0.523 176.842 176.300 0.031 0.000 1.143 217 D CA 1.531 55.544 54.000 0.021 0.000 0.700 217 D CB -1.657 39.176 40.800 0.054 0.000 1.076 217 D HN 1.328 nan 8.370 nan 0.000 0.430 218 T N -2.835 111.697 114.554 -0.036 0.000 2.899 218 T HA 0.494 4.836 4.350 -0.014 0.000 0.284 218 T C 0.475 175.234 174.700 0.099 0.000 1.004 218 T CA -0.752 61.339 62.100 -0.014 0.000 1.043 218 T CB 1.941 70.659 68.868 -0.250 0.000 1.013 218 T HN 0.045 nan 8.240 nan 0.000 0.518 219 Q N 0.546 120.473 119.800 0.211 0.000 2.235 219 Q HA 0.575 4.906 4.340 -0.014 0.000 0.250 219 Q C -0.943 175.169 176.000 0.186 0.000 0.909 219 Q CA -0.866 55.083 55.803 0.243 0.000 0.910 219 Q CB 1.803 30.770 28.738 0.382 0.000 1.223 219 Q HN 0.516 nan 8.270 nan 0.000 0.432 220 V N 2.998 122.985 119.914 0.122 0.000 2.459 220 V HA 0.419 4.531 4.120 -0.014 0.000 0.295 220 V C -0.383 175.772 176.094 0.102 0.000 1.029 220 V CA -0.653 61.627 62.300 -0.034 0.000 0.874 220 V CB 1.712 33.453 31.823 -0.137 0.000 0.985 220 V HN 0.491 nan 8.190 nan 0.000 0.438 221 V N 5.931 125.915 119.914 0.117 0.000 2.604 221 V HA 0.502 4.613 4.120 -0.014 0.000 0.305 221 V C -0.164 176.008 176.094 0.130 0.000 1.043 221 V CA -0.673 61.711 62.300 0.141 0.000 0.888 221 V CB 1.972 33.956 31.823 0.269 0.000 0.995 221 V HN 0.641 nan 8.190 nan 0.000 0.429 222 L N 3.388 124.682 121.223 0.119 0.000 2.350 222 L HA 0.737 5.068 4.340 -0.014 0.000 0.275 222 L C 0.446 177.493 176.870 0.294 0.000 1.099 222 L CA -0.318 54.604 54.840 0.137 0.000 0.808 222 L CB 1.303 43.422 42.059 0.099 0.000 1.149 222 L HN 0.759 nan 8.230 nan 0.000 0.442 223 A N 4.997 127.942 122.820 0.209 0.000 2.267 223 A HA 0.581 4.893 4.320 -0.014 0.000 0.315 223 A C -0.490 177.364 177.584 0.450 0.000 1.297 223 A CA -0.453 51.736 52.037 0.254 0.000 0.865 223 A CB 0.817 19.510 19.000 -0.511 0.000 1.165 223 A HN 0.776 nan 8.150 nan 0.000 0.513 224 M N 5.836 125.759 119.600 0.539 0.000 2.129 224 M HA 0.464 4.935 4.480 -0.014 0.000 0.348 224 M C -2.618 173.944 176.300 0.437 0.000 1.116 224 M CA -2.151 53.406 55.300 0.427 0.000 1.022 224 M CB 2.051 34.818 32.600 0.279 0.000 1.599 224 M HN 0.336 nan 8.290 nan 0.000 0.449 225 P HA 0.273 nan 4.420 nan 0.000 0.288 225 P C -1.943 175.265 177.300 -0.154 0.000 1.267 225 P CA -0.042 62.937 63.100 -0.202 0.000 0.815 225 P CB 0.534 31.909 31.700 -0.543 0.000 0.989 226 Y N 0.546 120.767 120.300 -0.131 0.000 2.350 226 Y HA 0.338 4.879 4.550 -0.014 0.000 0.338 226 Y C 0.240 176.106 175.900 -0.056 0.000 0.961 226 Y CA -0.323 57.756 58.100 -0.036 0.000 1.100 226 Y CB 1.296 39.771 38.460 0.026 0.000 1.179 226 Y HN 0.217 nan 8.280 nan 0.000 0.454 227 D N 1.893 122.373 120.400 0.134 0.000 2.193 227 D HA 0.390 5.021 4.640 -0.014 0.000 0.244 227 D C -0.600 175.911 176.300 0.350 0.000 1.064 227 D CA -0.193 53.921 54.000 0.190 0.000 0.845 227 D CB 1.674 42.585 40.800 0.185 0.000 1.148 227 D HN 0.380 nan 8.370 nan 0.000 0.464 228 T N 3.372 118.059 114.554 0.221 0.000 2.807 228 T HA 0.464 4.805 4.350 -0.014 0.000 0.279 228 T C -2.511 172.086 174.700 -0.173 0.000 0.993 228 T CA -1.487 60.666 62.100 0.089 0.000 0.970 228 T CB 2.000 70.898 68.868 0.051 0.000 0.950 228 T HN 0.171 nan 8.240 nan 0.000 0.441 229 P HA 0.294 nan 4.420 nan 0.000 0.275 229 P C -0.979 176.005 177.300 -0.527 0.000 1.227 229 P CA -0.379 62.084 63.100 -1.062 0.000 0.781 229 P CB 0.798 31.646 31.700 -1.421 0.000 0.906 230 V N 5.262 124.913 119.914 -0.437 0.000 2.305 230 V HA 0.258 4.370 4.120 -0.014 0.000 0.275 230 V C -2.053 173.897 176.094 -0.240 0.000 1.020 230 V CA -1.912 60.222 62.300 -0.276 0.000 0.811 230 V CB 1.276 32.985 31.823 -0.191 0.000 1.031 230 V HN 0.544 nan 8.190 nan 0.000 0.439 231 P HA 0.261 nan 4.420 nan 0.000 0.280 231 P C 0.395 177.637 177.300 -0.098 0.000 1.244 231 P CA 0.284 63.284 63.100 -0.167 0.000 0.784 231 P CB 1.524 33.126 31.700 -0.163 0.000 0.913 232 G N 2.243 111.003 108.800 -0.067 0.000 2.606 232 G HA2 0.103 4.054 3.960 -0.014 0.000 0.252 232 G HA3 0.103 4.054 3.960 -0.014 0.000 0.252 232 G C -1.115 173.792 174.900 0.013 0.000 1.206 232 G CA -0.544 44.548 45.100 -0.014 0.000 0.861 232 G HN 0.519 nan 8.290 nan 0.000 0.561 233 Y N 1.002 121.261 120.300 -0.070 0.000 2.624 233 Y HA 0.238 4.780 4.550 -0.015 0.000 0.354 233 Y C 1.357 177.217 175.900 -0.066 0.000 1.051 233 Y CA -0.144 57.911 58.100 -0.075 0.000 1.377 233 Y CB -0.112 38.303 38.460 -0.075 0.000 1.168 233 Y HN 0.742 nan 8.280 nan 0.000 0.525 234 R N 2.953 123.177 120.500 -0.460 0.000 3.627 234 R HA -0.325 4.007 4.340 -0.014 0.000 0.281 234 R C 0.142 176.309 176.300 -0.222 0.000 1.140 234 R CA 1.363 57.207 56.100 -0.427 0.000 0.761 234 R CB -2.132 27.753 30.300 -0.691 0.000 1.181 234 R HN 0.948 nan 8.270 nan 0.000 0.472 235 N N -0.773 117.845 118.700 -0.137 0.000 2.171 235 N HA 0.044 4.775 4.740 -0.014 0.000 0.212 235 N C -0.051 175.410 175.510 -0.082 0.000 1.184 235 N CA -0.442 52.557 53.050 -0.085 0.000 0.888 235 N CB 0.489 38.951 38.487 -0.041 0.000 1.038 235 N HN 0.089 nan 8.380 nan 0.000 0.517 236 N N -0.197 118.450 118.700 -0.089 0.000 2.800 236 N HA -0.132 4.599 4.740 -0.014 0.000 0.250 236 N C -0.946 174.517 175.510 -0.077 0.000 1.078 236 N CA 0.588 53.591 53.050 -0.077 0.000 0.804 236 N CB -1.323 37.121 38.487 -0.073 0.000 1.135 236 N HN 0.182 nan 8.380 nan 0.000 0.565 237 V N 1.166 121.037 119.914 -0.072 0.000 2.465 237 V HA 0.428 4.539 4.120 -0.014 0.000 0.279 237 V C 0.643 176.696 176.094 -0.068 0.000 1.045 237 V CA -0.440 61.822 62.300 -0.063 0.000 0.938 237 V CB 2.092 33.903 31.823 -0.021 0.000 0.986 237 V HN -0.028 nan 8.190 nan 0.000 0.467 238 V N 5.244 125.122 119.914 -0.061 0.000 2.419 238 V HA 0.437 4.548 4.120 -0.014 0.000 0.287 238 V C -0.151 175.916 176.094 -0.044 0.000 1.017 238 V CA -0.859 61.367 62.300 -0.124 0.000 0.844 238 V CB 1.479 33.181 31.823 -0.202 0.000 1.011 238 V HN 0.843 nan 8.190 nan 0.000 0.429 239 N N 1.941 120.588 118.700 -0.088 0.000 2.448 239 N HA 0.587 5.318 4.740 -0.014 0.000 0.274 239 N C -0.071 175.407 175.510 -0.054 0.000 1.239 239 N CA -0.311 52.710 53.050 -0.049 0.000 0.982 239 N CB 1.287 39.705 38.487 -0.114 0.000 1.199 239 N HN 0.587 nan 8.380 nan 0.000 0.576 240 T N 0.736 115.263 114.554 -0.045 0.000 2.841 240 T HA 0.399 4.740 4.350 -0.014 0.000 0.283 240 T C -0.246 174.408 174.700 -0.076 0.000 1.000 240 T CA -0.514 61.635 62.100 0.081 0.000 0.977 240 T CB 1.075 70.100 68.868 0.262 0.000 0.979 240 T HN 0.295 nan 8.240 nan 0.000 0.446 241 M N 3.753 123.282 119.600 -0.120 0.000 2.101 241 M HA 0.501 4.972 4.480 -0.014 0.000 0.340 241 M C -0.492 175.652 176.300 -0.259 0.000 1.057 241 M CA -0.754 54.386 55.300 -0.265 0.000 0.984 241 M CB 0.751 33.138 32.600 -0.355 0.000 1.560 241 M HN 0.495 nan 8.290 nan 0.000 0.435 242 R N 6.029 126.264 120.500 -0.441 0.000 2.265 242 R HA 0.610 4.942 4.340 -0.014 0.000 0.328 242 R C -1.940 174.066 176.300 -0.490 0.000 0.969 242 R CA -0.421 55.370 56.100 -0.514 0.000 0.832 242 R CB 0.825 30.644 30.300 -0.802 0.000 1.139 242 R HN 0.811 nan 8.270 nan 0.000 0.457 243 L N 5.020 126.062 121.223 -0.302 0.000 2.322 243 L HA 0.506 4.837 4.340 -0.014 0.000 0.281 243 L C -0.804 176.015 176.870 -0.084 0.000 1.014 243 L CA -0.916 53.844 54.840 -0.132 0.000 0.815 243 L CB 1.475 43.544 42.059 0.017 0.000 1.247 243 L HN 0.579 nan 8.230 nan 0.000 0.421 244 W N 1.853 123.270 121.300 0.196 0.000 2.365 244 W HA 0.486 5.137 4.660 -0.014 0.000 0.316 244 W C 0.526 177.270 176.519 0.375 0.000 1.164 244 W CA -0.212 57.272 57.345 0.232 0.000 1.204 244 W CB 1.547 31.001 29.460 -0.009 0.000 1.213 244 W HN 0.344 nan 8.180 nan 0.000 0.539 245 S N 1.924 118.033 115.700 0.681 0.000 2.482 245 S HA 0.777 5.238 4.470 -0.014 0.000 0.303 245 S C -0.470 174.473 174.600 0.572 0.000 1.091 245 S CA -0.720 57.787 58.200 0.511 0.000 1.057 245 S CB 0.679 64.119 63.200 0.399 0.000 1.031 245 S HN 0.524 nan 8.310 nan 0.000 0.485 246 A N 4.773 127.759 122.820 0.278 0.000 2.362 246 A HA 0.691 5.002 4.320 -0.014 0.000 0.276 246 A C -0.431 177.204 177.584 0.086 0.000 1.153 246 A CA -0.357 51.726 52.037 0.077 0.000 0.813 246 A CB 0.264 19.014 19.000 -0.416 0.000 1.081 246 A HN 0.619 nan 8.150 nan 0.000 0.507 247 K N 1.261 121.727 120.400 0.110 0.000 2.427 247 K HA 0.636 4.947 4.320 -0.014 0.000 0.252 247 K C -0.326 176.250 176.600 -0.040 0.000 0.931 247 K CA -0.445 55.868 56.287 0.042 0.000 0.793 247 K CB 2.028 34.585 32.500 0.094 0.000 1.211 247 K HN 0.785 nan 8.250 nan 0.000 0.426 248 A N 4.054 126.788 122.820 -0.143 0.000 2.425 248 A HA 0.472 4.784 4.320 -0.014 0.000 0.249 248 A C -2.045 175.489 177.584 -0.083 0.000 1.084 248 A CA -0.910 50.959 52.037 -0.280 0.000 0.781 248 A CB -0.458 18.230 19.000 -0.519 0.000 1.019 248 A HN 0.368 nan 8.150 nan 0.000 0.490 249 P HA 0.137 nan 4.420 nan 0.000 0.272 249 P C 0.170 177.542 177.300 0.120 0.000 1.230 249 P CA -0.447 62.699 63.100 0.076 0.000 0.788 249 P CB 0.535 32.302 31.700 0.112 0.000 0.949 250 N N 0.839 119.597 118.700 0.097 0.000 2.396 250 N HA -0.107 4.625 4.740 -0.014 0.000 0.180 250 N C 0.725 176.307 175.510 0.121 0.000 1.028 250 N CA 1.015 54.125 53.050 0.100 0.000 0.893 250 N CB -0.426 38.104 38.487 0.073 0.000 0.967 250 N HN 0.559 nan 8.380 nan 0.000 0.440 251 D N -0.711 119.763 120.400 0.123 0.000 2.325 251 D HA -0.070 4.561 4.640 -0.014 0.000 0.225 251 D C 0.114 176.487 176.300 0.122 0.000 1.096 251 D CA -0.539 53.524 54.000 0.105 0.000 0.844 251 D CB -0.986 39.857 40.800 0.073 0.000 0.925 251 D HN 0.044 nan 8.370 nan 0.000 0.513 252 F N 2.017 121.979 119.950 0.020 0.000 2.578 252 F HA 0.095 4.613 4.527 -0.014 0.000 0.381 252 F C 0.681 176.484 175.800 0.006 0.000 1.069 252 F CA 0.140 58.149 58.000 0.014 0.000 1.231 252 F CB 0.096 39.105 39.000 0.015 0.000 1.086 252 F HN -0.162 nan 8.300 nan 0.000 0.564 253 N N 2.422 120.756 118.700 -0.609 0.000 2.713 253 N HA -0.227 4.504 4.740 -0.014 0.000 0.251 253 N C -0.986 174.433 175.510 -0.151 0.000 1.117 253 N CA 1.119 53.921 53.050 -0.413 0.000 0.770 253 N CB -1.037 37.222 38.487 -0.380 0.000 1.137 253 N HN 0.305 nan 8.380 nan 0.000 0.566 262 Y N 1.420 121.722 120.300 0.003 0.000 2.145 262 Y HA -0.019 4.523 4.550 -0.014 0.000 0.286 262 Y C 2.714 178.623 175.900 0.016 0.000 1.145 262 Y CA 2.284 60.389 58.100 0.008 0.000 1.148 262 Y CB -0.086 38.379 38.460 0.009 0.000 0.981 262 Y HN 0.197 nan 8.280 nan 0.000 0.507 263 I N 0.527 121.048 120.570 -0.082 0.000 2.179 263 I HA -0.295 3.866 4.170 -0.014 0.000 0.242 263 I C 2.384 178.404 176.117 -0.162 0.000 1.088 263 I CA 1.726 62.926 61.300 -0.168 0.000 1.357 263 I CB -1.488 36.515 38.000 0.004 0.000 1.051 263 I HN 0.335 nan 8.210 nan 0.000 0.409 264 Q N 1.139 120.892 119.800 -0.080 0.000 2.096 264 Q HA -0.118 4.214 4.340 -0.014 0.000 0.204 264 Q C 2.246 178.206 176.000 -0.066 0.000 0.982 264 Q CA 2.279 58.051 55.803 -0.053 0.000 0.850 264 Q CB -0.398 28.325 28.738 -0.024 0.000 0.901 264 Q HN 0.474 nan 8.270 nan 0.000 0.422 265 A N -0.776 121.986 122.820 -0.096 0.000 1.940 265 A HA -0.146 4.165 4.320 -0.014 0.000 0.219 265 A C 2.261 179.808 177.584 -0.061 0.000 1.176 265 A CA 1.715 53.703 52.037 -0.081 0.000 0.631 265 A CB -0.785 18.164 19.000 -0.086 0.000 0.814 265 A HN 0.271 nan 8.150 nan 0.000 0.446 266 V N 0.112 119.914 119.914 -0.186 0.000 2.358 266 V HA -0.224 3.887 4.120 -0.014 0.000 0.246 266 V C 2.508 178.572 176.094 -0.050 0.000 1.047 266 V CA 1.841 64.052 62.300 -0.148 0.000 1.035 266 V CB -0.745 30.894 31.823 -0.307 0.000 0.658 266 V HN 0.576 nan 8.190 nan 0.000 0.452 267 L N -0.198 120.991 121.223 -0.056 0.000 2.191 267 L HA -0.149 4.182 4.340 -0.014 0.000 0.212 267 L C 2.024 178.911 176.870 0.028 0.000 1.103 267 L CA 1.188 56.019 54.840 -0.014 0.000 0.769 267 L CB -0.681 41.367 42.059 -0.018 0.000 0.908 267 L HN 0.324 nan 8.230 nan 0.000 0.438 268 D N 0.104 120.539 120.400 0.059 0.000 2.371 268 D HA -0.077 4.554 4.640 -0.014 0.000 0.221 268 D C 2.134 178.581 176.300 0.244 0.000 0.986 268 D CA 0.466 54.545 54.000 0.133 0.000 0.899 268 D CB -0.012 40.862 40.800 0.124 0.000 0.902 268 D HN 0.239 nan 8.370 nan 0.000 0.530 269 R N 0.323 120.930 120.500 0.179 0.000 2.200 269 R HA -0.088 4.243 4.340 -0.014 0.000 0.234 269 R C 1.686 177.930 176.300 -0.093 0.000 1.127 269 R CA 0.921 57.022 56.100 0.001 0.000 0.989 269 R CB -0.298 29.989 30.300 -0.020 0.000 0.869 269 R HN 0.356 nan 8.270 nan 0.000 0.459 270 N N 0.182 118.877 118.700 -0.008 0.000 2.205 270 N HA -0.168 4.563 4.740 -0.014 0.000 0.186 270 N C 1.180 176.680 175.510 -0.017 0.000 1.015 270 N CA 0.669 53.712 53.050 -0.011 0.000 0.862 270 N CB -0.056 38.440 38.487 0.015 0.000 0.986 270 N HN 0.012 nan 8.380 nan 0.000 0.429 271 L N 1.130 122.363 121.223 0.017 0.000 2.012 271 L HA -0.134 4.197 4.340 -0.014 0.000 0.210 271 L C 2.451 179.299 176.870 -0.037 0.000 1.073 271 L CA 1.441 56.300 54.840 0.031 0.000 0.748 271 L CB -1.228 40.902 42.059 0.119 0.000 0.891 271 L HN 0.160 nan 8.230 nan 0.000 0.431 272 A N -0.952 121.775 122.820 -0.154 0.000 1.930 272 A HA -0.163 4.149 4.320 -0.014 0.000 0.217 272 A C 2.179 179.640 177.584 -0.205 0.000 1.175 272 A CA 1.345 53.232 52.037 -0.250 0.000 0.627 272 A CB -0.425 18.219 19.000 -0.593 0.000 0.815 272 A HN 0.504 nan 8.150 nan 0.000 0.443 273 E N 0.004 120.102 120.200 -0.171 0.000 2.427 273 E HA -0.079 4.262 4.350 -0.014 0.000 0.196 273 E C 1.134 177.692 176.600 -0.069 0.000 1.028 273 E CA 0.246 56.577 56.400 -0.114 0.000 0.864 273 E CB -0.115 29.541 29.700 -0.073 0.000 0.813 273 E HN 0.460 nan 8.360 nan 0.000 0.514 274 N N 1.051 119.721 118.700 -0.050 0.000 2.348 274 N HA -0.136 4.595 4.740 -0.014 0.000 0.185 274 N C 1.590 177.096 175.510 -0.007 0.000 1.019 274 N CA 0.722 53.770 53.050 -0.003 0.000 0.880 274 N CB -0.098 38.394 38.487 0.007 0.000 0.965 274 N HN 0.260 nan 8.380 nan 0.000 0.437 275 I N 0.406 120.912 120.570 -0.107 0.000 2.194 275 I HA -0.275 3.886 4.170 -0.014 0.000 0.246 275 I C 1.471 177.551 176.117 -0.061 0.000 1.093 275 I CA 1.391 62.597 61.300 -0.156 0.000 1.355 275 I CB -0.265 37.476 38.000 -0.432 0.000 1.046 275 I HN 0.143 nan 8.210 nan 0.000 0.413 276 S N -0.415 115.239 115.700 -0.077 0.000 2.583 276 S HA 0.181 4.643 4.470 -0.014 0.000 0.239 276 S C 1.469 176.202 174.600 0.221 0.000 0.966 276 S CA -0.500 57.744 58.200 0.073 0.000 0.973 276 S CB 0.220 63.448 63.200 0.047 0.000 0.794 276 S HN 0.225 nan 8.310 nan 0.000 0.463 277 R N 1.249 121.886 120.500 0.228 0.000 2.073 277 R HA 0.283 4.615 4.340 -0.014 0.000 0.229 277 R C 0.343 176.905 176.300 0.436 0.000 1.120 277 R CA 1.037 57.317 56.100 0.299 0.000 0.967 277 R CB -0.183 30.255 30.300 0.229 0.000 0.862 277 R HN 0.388 nan 8.270 nan 0.000 0.436 278 V N 0.437 120.571 119.914 0.366 0.000 2.851 278 V HA 0.345 4.456 4.120 -0.014 0.000 0.307 278 V C -1.641 174.430 176.094 -0.038 0.000 1.129 278 V CA -1.367 61.063 62.300 0.218 0.000 0.932 278 V CB 1.766 33.636 31.823 0.078 0.000 1.024 278 V HN 0.146 nan 8.190 nan 0.000 0.426 279 L N 6.999 127.971 121.223 -0.420 0.000 2.410 279 L HA 0.463 4.794 4.340 -0.014 0.000 0.273 279 L C -0.799 175.906 176.870 -0.274 0.000 1.144 279 L CA 0.471 54.852 54.840 -0.765 0.000 0.863 279 L CB 0.401 41.948 42.059 -0.854 0.000 1.140 279 L HN 0.677 nan 8.230 nan 0.000 0.463 280 Y N 7.100 127.307 120.300 -0.154 0.000 2.569 280 Y HA 0.183 4.724 4.550 -0.014 0.000 0.332 280 Y C -1.345 174.543 175.900 -0.020 0.000 1.120 280 Y CA -1.059 57.022 58.100 -0.031 0.000 1.416 280 Y CB 0.378 38.843 38.460 0.009 0.000 1.210 280 Y HN 0.576 nan 8.280 nan 0.000 0.528 281 P HA 0.035 nan 4.420 nan 0.000 0.254 281 P C -0.865 176.569 177.300 0.223 0.000 1.494 281 P CA 0.086 63.289 63.100 0.172 0.000 0.961 281 P CB 0.237 32.125 31.700 0.314 0.000 1.493 282 N N 2.487 121.327 118.700 0.234 0.000 2.422 282 N HA 0.101 4.832 4.740 -0.014 0.000 0.264 282 N C -0.113 175.534 175.510 0.228 0.000 1.063 282 N CA 0.197 53.405 53.050 0.264 0.000 0.959 282 N CB 1.210 39.884 38.487 0.311 0.000 1.087 282 N HN 0.265 nan 8.380 nan 0.000 0.483 283 D N 1.117 121.673 120.400 0.260 0.000 2.217 283 D HA 0.142 4.774 4.640 -0.014 0.000 0.243 283 D C -0.081 176.407 176.300 0.314 0.000 1.054 283 D CA -0.395 53.752 54.000 0.244 0.000 0.838 283 D CB 0.737 41.669 40.800 0.220 0.000 1.162 283 D HN 0.299 nan 8.370 nan 0.000 0.472 284 N N 0.634 119.492 118.700 0.264 0.000 2.716 284 N HA -0.247 4.485 4.740 -0.014 0.000 0.250 284 N C -1.164 174.569 175.510 0.371 0.000 1.033 284 N CA 0.671 53.874 53.050 0.255 0.000 0.727 284 N CB -1.080 37.520 38.487 0.188 0.000 0.950 284 N HN 0.499 nan 8.380 nan 0.000 0.541 285 F N 0.519 120.562 119.950 0.155 0.000 2.605 285 F HA 0.422 4.940 4.527 -0.015 0.000 0.320 285 F C -1.256 174.617 175.800 0.123 0.000 1.159 285 F CA -1.202 56.869 58.000 0.119 0.000 0.999 285 F CB 0.936 39.969 39.000 0.055 0.000 1.258 285 F HN -0.016 nan 8.300 nan 0.000 0.464 286 F N 6.030 125.512 119.950 -0.781 0.000 2.411 286 F HA 0.476 4.995 4.527 -0.014 0.000 0.350 286 F C -0.406 174.888 175.800 -0.843 0.000 1.114 286 F CA -0.059 57.545 58.000 -0.661 0.000 1.135 286 F CB 0.685 39.373 39.000 -0.520 0.000 1.120 286 F HN 0.575 nan 8.300 nan 0.000 0.495 287 E N 4.006 123.484 120.200 -1.204 0.000 2.155 287 E HA 0.303 4.645 4.350 -0.014 0.000 0.264 287 E C -0.162 175.635 176.600 -1.339 0.000 0.886 287 E CA -0.775 55.029 56.400 -0.993 0.000 0.752 287 E CB 1.445 30.947 29.700 -0.331 0.000 1.133 287 E HN 0.923 nan 8.360 nan 0.000 0.414 288 G N 5.053 113.071 108.800 -1.302 0.000 3.316 288 G HA2 0.036 3.987 3.960 -0.014 0.000 0.255 288 G HA3 0.036 3.987 3.960 -0.014 0.000 0.255 288 G C -0.055 174.758 174.900 -0.144 0.000 0.880 288 G CA -0.186 44.358 45.100 -0.925 0.000 1.956 288 G HN 0.168 nan 8.290 nan 0.000 0.634 289 K N 0.593 120.966 120.400 -0.045 0.000 2.156 289 K HA 0.188 4.499 4.320 -0.014 0.000 0.271 289 K C 0.973 177.705 176.600 0.220 0.000 0.995 289 K CA -0.646 55.705 56.287 0.106 0.000 0.890 289 K CB 2.252 34.803 32.500 0.085 0.000 1.073 289 K HN 0.446 nan 8.250 nan 0.000 0.454 290 E N 1.959 122.257 120.200 0.164 0.000 2.097 290 E HA -0.231 4.111 4.350 -0.014 0.000 0.196 290 E C 1.496 178.119 176.600 0.038 0.000 1.000 290 E CA 1.180 57.629 56.400 0.081 0.000 0.804 290 E CB 0.163 29.912 29.700 0.080 0.000 0.740 290 E HN 0.412 nan 8.360 nan 0.000 0.454 291 L N 1.302 122.589 121.223 0.106 0.000 2.079 291 L HA -0.186 4.145 4.340 -0.014 0.000 0.210 291 L C 2.472 179.424 176.870 0.138 0.000 1.081 291 L CA 1.853 56.773 54.840 0.132 0.000 0.752 291 L CB -0.508 41.697 42.059 0.242 0.000 0.896 291 L HN 0.017 nan 8.230 nan 0.000 0.433 292 R N -0.630 119.898 120.500 0.046 0.000 2.092 292 R HA -0.158 4.174 4.340 -0.014 0.000 0.231 292 R C 2.100 178.431 176.300 0.051 0.000 1.119 292 R CA 1.845 57.897 56.100 -0.080 0.000 0.970 292 R CB -0.991 29.057 30.300 -0.419 0.000 0.864 292 R HN 0.417 nan 8.270 nan 0.000 0.440 293 L N 0.847 122.014 121.223 -0.094 0.000 2.046 293 L HA -0.067 4.264 4.340 -0.014 0.000 0.208 293 L C 1.720 178.520 176.870 -0.116 0.000 1.077 293 L CA 1.905 56.481 54.840 -0.440 0.000 0.747 293 L CB -0.401 41.095 42.059 -0.939 0.000 0.896 293 L HN 0.148 nan 8.230 nan 0.000 0.432 294 K N -0.977 119.399 120.400 -0.040 0.000 2.063 294 K HA -0.208 4.103 4.320 -0.014 0.000 0.208 294 K C 2.093 178.851 176.600 0.263 0.000 1.048 294 K CA 1.816 58.146 56.287 0.072 0.000 0.928 294 K CB -0.206 32.151 32.500 -0.237 0.000 0.713 294 K HN 0.505 nan 8.250 nan 0.000 0.442 295 Q N 0.656 120.577 119.800 0.202 0.000 2.050 295 Q HA -0.199 4.132 4.340 -0.014 0.000 0.202 295 Q C 1.984 178.181 176.000 0.328 0.000 0.980 295 Q CA 1.509 57.490 55.803 0.297 0.000 0.840 295 Q CB -0.049 28.881 28.738 0.320 0.000 0.898 295 Q HN 0.393 nan 8.270 nan 0.000 0.424 296 E N -0.213 120.132 120.200 0.241 0.000 2.077 296 E HA -0.215 4.126 4.350 -0.014 0.000 0.193 296 E C 1.747 178.457 176.600 0.183 0.000 0.989 296 E CA 1.070 57.594 56.400 0.206 0.000 0.800 296 E CB -0.144 29.654 29.700 0.163 0.000 0.746 296 E HN 0.328 nan 8.360 nan 0.000 0.452 297 Y N 0.388 120.731 120.300 0.072 0.000 2.220 297 Y HA -0.203 4.339 4.550 -0.014 0.000 0.291 297 Y C 1.977 177.905 175.900 0.047 0.000 1.129 297 Y CA 1.027 59.125 58.100 -0.003 0.000 1.161 297 Y CB -0.380 38.049 38.460 -0.051 0.000 0.997 297 Y HN 0.012 nan 8.280 nan 0.000 0.522 298 F N -0.279 119.672 119.950 0.002 0.000 2.065 298 F HA -0.262 4.257 4.527 -0.014 0.000 0.298 298 F C 2.480 178.132 175.800 -0.247 0.000 1.112 298 F CA 2.051 59.998 58.000 -0.089 0.000 1.212 298 F CB -1.076 38.021 39.000 0.162 0.000 0.975 298 F HN -0.049 nan 8.300 nan 0.000 0.476 299 V N -0.533 119.333 119.914 -0.080 0.000 2.427 299 V HA -0.196 3.915 4.120 -0.014 0.000 0.248 299 V C 2.208 178.145 176.094 -0.262 0.000 1.051 299 V CA 1.893 64.109 62.300 -0.139 0.000 1.048 299 V CB -0.353 31.590 31.823 0.200 0.000 0.666 299 V HN 0.258 nan 8.190 nan 0.000 0.456 300 V N 0.390 120.160 119.914 -0.241 0.000 2.358 300 V HA -0.176 3.936 4.120 -0.014 0.000 0.246 300 V C 2.780 178.607 176.094 -0.445 0.000 1.047 300 V CA 2.116 64.257 62.300 -0.265 0.000 1.035 300 V CB -0.991 30.736 31.823 -0.158 0.000 0.658 300 V HN 0.644 nan 8.190 nan 0.000 0.452 301 A N -0.208 122.171 122.820 -0.734 0.000 1.873 301 A HA -0.066 4.245 4.320 -0.014 0.000 0.215 301 A C 2.404 179.611 177.584 -0.628 0.000 1.186 301 A CA 1.984 53.582 52.037 -0.732 0.000 0.616 301 A CB -0.794 17.559 19.000 -1.078 0.000 0.823 301 A HN 0.551 nan 8.150 nan 0.000 0.442 302 A N -0.959 121.326 122.820 -0.891 0.000 1.898 302 A HA -0.067 4.244 4.320 -0.014 0.000 0.216 302 A C 2.315 179.409 177.584 -0.817 0.000 1.181 302 A CA 2.296 53.625 52.037 -1.180 0.000 0.620 302 A CB -1.302 16.328 19.000 -2.283 0.000 0.819 302 A HN 0.426 nan 8.150 nan 0.000 0.442 303 T N 0.517 114.722 114.554 -0.581 0.000 2.674 303 T HA -0.114 4.228 4.350 -0.014 0.000 0.265 303 T C 1.840 176.274 174.700 -0.442 0.000 1.039 303 T CA 1.501 63.370 62.100 -0.384 0.000 1.150 303 T CB -0.418 68.218 68.868 -0.387 0.000 0.864 303 T HN 0.338 nan 8.240 nan 0.000 0.427 304 L N 0.674 121.683 121.223 -0.358 0.000 2.079 304 L HA -0.181 4.151 4.340 -0.014 0.000 0.210 304 L C 2.942 179.699 176.870 -0.187 0.000 1.081 304 L CA 1.445 56.129 54.840 -0.261 0.000 0.752 304 L CB -0.513 41.432 42.059 -0.191 0.000 0.896 304 L HN 0.361 nan 8.230 nan 0.000 0.433 305 Q N -0.613 119.075 119.800 -0.187 0.000 2.084 305 Q HA -0.254 4.078 4.340 -0.014 0.000 0.202 305 Q C 1.807 177.784 176.000 -0.039 0.000 0.978 305 Q CA 1.786 57.531 55.803 -0.096 0.000 0.844 305 Q CB -0.109 28.560 28.738 -0.115 0.000 0.898 305 Q HN 0.402 nan 8.270 nan 0.000 0.426 306 D N 0.499 120.866 120.400 -0.054 0.000 2.097 306 D HA -0.121 4.511 4.640 -0.014 0.000 0.195 306 D C 1.664 177.917 176.300 -0.079 0.000 0.989 306 D CA 0.938 54.955 54.000 0.028 0.000 0.827 306 D CB -0.047 40.870 40.800 0.195 0.000 0.966 306 D HN 0.159 nan 8.370 nan 0.000 0.456 307 I N 0.112 120.521 120.570 -0.268 0.000 2.163 307 I HA -0.256 3.906 4.170 -0.014 0.000 0.243 307 I C 2.348 178.465 176.117 -0.000 0.000 1.085 307 I CA 0.803 61.884 61.300 -0.366 0.000 1.347 307 I CB -0.184 37.431 38.000 -0.640 0.000 1.044 307 I HN 0.061 nan 8.210 nan 0.000 0.408 308 I N 0.238 120.867 120.570 0.099 0.000 2.226 308 I HA -0.302 3.860 4.170 -0.014 0.000 0.245 308 I C 2.781 179.064 176.117 0.276 0.000 1.100 308 I CA 1.232 62.709 61.300 0.295 0.000 1.374 308 I CB -0.385 37.747 38.000 0.221 0.000 1.057 308 I HN 0.183 nan 8.210 nan 0.000 0.413 309 R N 1.098 121.695 120.500 0.161 0.000 2.083 309 R HA -0.230 4.101 4.340 -0.014 0.000 0.237 309 R C 2.505 178.890 176.300 0.141 0.000 1.137 309 R CA 1.769 57.955 56.100 0.143 0.000 0.951 309 R CB -0.259 30.117 30.300 0.127 0.000 0.851 309 R HN 0.190 nan 8.270 nan 0.000 0.434 310 R N -0.651 119.925 120.500 0.127 0.000 2.096 310 R HA -0.170 4.161 4.340 -0.014 0.000 0.235 310 R C 2.147 178.542 176.300 0.159 0.000 1.127 310 R CA 1.751 57.927 56.100 0.127 0.000 0.968 310 R CB -0.377 29.978 30.300 0.092 0.000 0.861 310 R HN 0.311 nan 8.270 nan 0.000 0.440 311 F N 1.402 121.384 119.950 0.053 0.000 2.186 311 F HA -0.103 4.415 4.527 -0.014 0.000 0.299 311 F C 1.660 177.466 175.800 0.011 0.000 1.090 311 F CA 1.515 59.536 58.000 0.034 0.000 1.307 311 F CB 0.046 39.103 39.000 0.096 0.000 1.019 311 F HN -0.131 nan 8.300 nan 0.000 0.489 312 K N -0.324 120.051 120.400 -0.041 0.000 2.283 312 K HA -0.020 4.292 4.320 -0.014 0.000 0.202 312 K C 1.454 177.964 176.600 -0.150 0.000 1.048 312 K CA 1.149 57.331 56.287 -0.174 0.000 0.948 312 K CB -0.168 32.340 32.500 0.013 0.000 0.742 312 K HN 0.116 nan 8.250 nan 0.000 0.458 313 S N 0.972 116.641 115.700 -0.050 0.000 2.679 313 S HA 0.119 4.581 4.470 -0.014 0.000 0.233 313 S C 0.107 174.700 174.600 -0.012 0.000 0.951 313 S CA -0.316 57.895 58.200 0.018 0.000 0.973 313 S CB 0.262 63.534 63.200 0.120 0.000 0.778 313 S HN 0.112 nan 8.310 nan 0.000 0.477 326 F N 1.057 121.115 119.950 0.180 0.000 2.811 326 F HA 0.189 4.707 4.527 -0.014 0.000 0.301 326 F C 1.250 177.113 175.800 0.105 0.000 1.151 326 F CA 0.001 58.078 58.000 0.128 0.000 1.412 326 F CB 0.242 39.195 39.000 -0.078 0.000 1.113 326 F HN 0.581 nan 8.300 nan 0.000 0.579 327 D N 0.572 121.110 120.400 0.230 0.000 2.182 327 D HA -0.184 4.448 4.640 -0.014 0.000 0.201 327 D C 2.205 178.599 176.300 0.157 0.000 0.986 327 D CA 1.340 55.434 54.000 0.157 0.000 0.847 327 D CB -0.104 40.764 40.800 0.113 0.000 0.942 327 D HN 0.247 nan 8.370 nan 0.000 0.467 328 A N -0.732 122.210 122.820 0.204 0.000 2.218 328 A HA 0.076 4.387 4.320 -0.014 0.000 0.209 328 A C 1.630 179.340 177.584 0.210 0.000 1.168 328 A CA -0.188 51.970 52.037 0.202 0.000 0.804 328 A CB -0.752 18.377 19.000 0.216 0.000 0.834 328 A HN 0.227 nan 8.150 nan 0.000 0.482 329 F N 1.914 121.830 119.950 -0.055 0.000 2.065 329 F HA -0.158 4.360 4.527 -0.014 0.000 0.298 329 F C -0.760 174.934 175.800 -0.177 0.000 1.112 329 F CA 2.650 60.405 58.000 -0.409 0.000 1.212 329 F CB -0.551 38.217 39.000 -0.387 0.000 0.975 329 F HN 0.204 nan 8.300 nan 0.000 0.476 330 P HA -0.079 nan 4.420 nan 0.000 0.226 330 P C 0.646 177.912 177.300 -0.057 0.000 1.153 330 P CA 1.335 64.412 63.100 -0.038 0.000 0.777 330 P CB -0.080 31.625 31.700 0.007 0.000 0.794 331 D N -0.647 119.740 120.400 -0.022 0.000 2.317 331 D HA -0.036 4.595 4.640 -0.014 0.000 0.211 331 D C 1.469 177.759 176.300 -0.016 0.000 0.966 331 D CA 0.898 54.895 54.000 -0.005 0.000 0.876 331 D CB 0.122 40.938 40.800 0.027 0.000 0.927 331 D HN 0.150 nan 8.370 nan 0.000 0.519 332 K N -0.017 120.351 120.400 -0.053 0.000 2.412 332 K HA 0.210 4.522 4.320 -0.014 0.000 0.202 332 K C -0.113 176.410 176.600 -0.128 0.000 1.102 332 K CA 0.072 56.339 56.287 -0.033 0.000 1.027 332 K CB 2.354 34.934 32.500 0.134 0.000 0.931 332 K HN -0.070 nan 8.250 nan 0.000 0.557 333 V N 1.157 120.912 119.914 -0.265 0.000 2.623 333 V HA 0.587 4.698 4.120 -0.014 0.000 0.304 333 V C -1.018 174.993 176.094 -0.140 0.000 1.054 333 V CA -1.293 60.844 62.300 -0.271 0.000 0.882 333 V CB 1.745 33.092 31.823 -0.792 0.000 1.002 333 V HN 0.112 nan 8.190 nan 0.000 0.424 334 A N 5.945 128.729 122.820 -0.060 0.000 2.331 334 A HA 0.924 5.236 4.320 -0.014 0.000 0.320 334 A C -0.848 176.760 177.584 0.041 0.000 1.138 334 A CA -0.503 51.531 52.037 -0.006 0.000 0.790 334 A CB 0.881 19.823 19.000 -0.096 0.000 1.206 334 A HN 0.780 nan 8.150 nan 0.000 0.470 335 I N 1.861 122.497 120.570 0.110 0.000 2.355 335 I HA 0.290 4.451 4.170 -0.014 0.000 0.288 335 I C -0.283 175.920 176.117 0.143 0.000 0.999 335 I CA -0.530 60.845 61.300 0.124 0.000 1.163 335 I CB 1.880 39.935 38.000 0.091 0.000 1.316 335 I HN 0.692 nan 8.210 nan 0.000 0.454 336 Q N 6.811 126.691 119.800 0.133 0.000 2.314 336 Q HA 0.504 4.836 4.340 -0.014 0.000 0.259 336 Q C -1.327 174.658 176.000 -0.026 0.000 0.951 336 Q CA -0.262 55.639 55.803 0.163 0.000 0.909 336 Q CB 1.282 30.222 28.738 0.337 0.000 1.236 336 Q HN 0.569 nan 8.270 nan 0.000 0.444 337 L N 3.733 124.983 121.223 0.045 0.000 2.260 337 L HA 0.405 4.736 4.340 -0.014 0.000 0.289 337 L C 0.045 176.932 176.870 0.028 0.000 1.057 337 L CA -0.743 54.117 54.840 0.033 0.000 0.811 337 L CB 0.710 42.836 42.059 0.112 0.000 1.184 337 L HN 0.559 nan 8.230 nan 0.000 0.429 338 N N 3.456 122.102 118.700 -0.089 0.000 2.555 338 N HA 0.113 4.844 4.740 -0.014 0.000 0.244 338 N C -0.204 175.314 175.510 0.013 0.000 1.114 338 N CA 0.374 53.415 53.050 -0.014 0.000 0.963 338 N CB -0.033 38.368 38.487 -0.142 0.000 1.276 338 N HN 0.705 nan 8.380 nan 0.000 0.510 339 D N -0.418 120.084 120.400 0.170 0.000 3.856 339 D HA -0.258 4.374 4.640 -0.014 0.000 0.276 339 D C 0.400 176.785 176.300 0.142 0.000 2.073 339 D CA 2.053 56.138 54.000 0.141 0.000 1.163 339 D CB -0.372 40.297 40.800 -0.219 0.000 0.937 339 D HN 0.508 nan 8.370 nan 0.000 1.140 340 T N -3.223 111.340 114.554 0.016 0.000 3.129 340 T HA 0.114 4.455 4.350 -0.014 0.000 0.251 340 T C 1.415 176.168 174.700 0.088 0.000 1.117 340 T CA 1.347 63.447 62.100 -0.000 0.000 1.034 340 T CB -0.478 68.366 68.868 -0.041 0.000 0.968 340 T HN 0.519 nan 8.240 nan 0.000 0.526 341 H N 2.619 121.777 119.070 0.148 0.000 2.387 341 H HA 0.005 4.553 4.556 -0.014 0.000 0.299 341 H C -0.905 174.509 175.328 0.143 0.000 1.099 341 H CA 0.963 57.111 56.048 0.167 0.000 1.315 341 H CB -0.909 28.953 29.762 0.167 0.000 1.380 341 H HN 0.439 nan 8.280 nan 0.000 0.513 342 P HA 0.094 nan 4.420 nan 0.000 0.254 342 P C 0.632 177.970 177.300 0.063 0.000 1.620 342 P CA 0.293 63.468 63.100 0.124 0.000 1.050 342 P CB 0.378 32.141 31.700 0.104 0.000 1.539 343 S N -0.276 115.454 115.700 0.051 0.000 2.440 343 S HA -0.125 4.336 4.470 -0.014 0.000 0.238 343 S C 1.748 176.342 174.600 -0.010 0.000 1.010 343 S CA 0.778 58.968 58.200 -0.017 0.000 0.972 343 S CB -1.455 61.711 63.200 -0.056 0.000 0.774 343 S HN 0.153 nan 8.310 nan 0.000 0.501 344 L N 1.075 122.304 121.223 0.010 0.000 2.450 344 L HA 0.000 4.332 4.340 -0.014 0.000 0.224 344 L C 2.944 179.833 176.870 0.032 0.000 1.149 344 L CA 0.637 55.480 54.840 0.006 0.000 0.816 344 L CB -0.815 41.241 42.059 -0.005 0.000 0.932 344 L HN 0.459 nan 8.230 nan 0.000 0.449 345 A N 0.657 123.482 122.820 0.009 0.000 1.948 345 A HA -0.223 4.088 4.320 -0.014 0.000 0.220 345 A C 2.191 179.769 177.584 -0.010 0.000 1.177 345 A CA 1.689 53.720 52.037 -0.011 0.000 0.636 345 A CB -0.518 18.469 19.000 -0.021 0.000 0.815 345 A HN 0.388 nan 8.150 nan 0.000 0.449 346 I N 0.164 120.729 120.570 -0.009 0.000 2.133 346 I HA -0.137 4.024 4.170 -0.014 0.000 0.238 346 I C -0.380 175.750 176.117 0.022 0.000 1.074 346 I CA 1.499 62.791 61.300 -0.012 0.000 1.342 346 I CB -0.968 37.025 38.000 -0.012 0.000 1.053 346 I HN 0.241 nan 8.210 nan 0.000 0.404 347 P HA -0.163 nan 4.420 nan 0.000 0.221 347 P C 1.270 178.616 177.300 0.077 0.000 1.150 347 P CA 1.439 64.582 63.100 0.072 0.000 0.800 347 P CB 0.041 31.807 31.700 0.109 0.000 0.787 348 E N 0.226 120.524 120.200 0.162 0.000 2.072 348 E HA -0.149 4.192 4.350 -0.014 0.000 0.191 348 E C 1.910 178.503 176.600 -0.011 0.000 0.985 348 E CA 0.675 57.184 56.400 0.182 0.000 0.801 348 E CB -1.198 28.638 29.700 0.227 0.000 0.750 348 E HN -0.015 nan 8.360 nan 0.000 0.452 349 L N 0.017 121.200 121.223 -0.068 0.000 2.017 349 L HA -0.118 4.214 4.340 -0.014 0.000 0.208 349 L C 2.105 178.835 176.870 -0.232 0.000 1.073 349 L CA 1.806 56.545 54.840 -0.168 0.000 0.745 349 L CB -0.647 41.314 42.059 -0.164 0.000 0.894 349 L HN 0.235 nan 8.230 nan 0.000 0.432 350 M N -0.759 118.721 119.600 -0.200 0.000 2.080 350 M HA -0.249 4.222 4.480 -0.014 0.000 0.260 350 M C 2.441 178.586 176.300 -0.258 0.000 1.068 350 M CA 1.651 56.785 55.300 -0.277 0.000 1.109 350 M CB -1.279 31.148 32.600 -0.288 0.000 1.342 350 M HN 0.340 nan 8.290 nan 0.000 0.405 351 R N 0.032 120.409 120.500 -0.206 0.000 2.080 351 R HA -0.134 4.197 4.340 -0.014 0.000 0.236 351 R C 2.088 178.287 176.300 -0.168 0.000 1.137 351 R CA 1.741 57.719 56.100 -0.204 0.000 0.943 351 R CB -0.194 29.937 30.300 -0.283 0.000 0.846 351 R HN 0.227 nan 8.270 nan 0.000 0.431 352 V N 1.500 121.313 119.914 -0.168 0.000 2.295 352 V HA -0.258 3.854 4.120 -0.014 0.000 0.246 352 V C 2.420 178.349 176.094 -0.274 0.000 1.049 352 V CA 1.731 63.922 62.300 -0.182 0.000 1.024 352 V CB -0.432 31.284 31.823 -0.179 0.000 0.648 352 V HN 0.341 nan 8.190 nan 0.000 0.447 353 L N -0.585 120.415 121.223 -0.371 0.000 2.056 353 L HA -0.125 4.207 4.340 -0.014 0.000 0.207 353 L C 2.411 179.102 176.870 -0.299 0.000 1.078 353 L CA 1.146 55.704 54.840 -0.470 0.000 0.749 353 L CB -0.632 41.105 42.059 -0.536 0.000 0.901 353 L HN 0.207 nan 8.230 nan 0.000 0.433 354 V N -0.519 119.263 119.914 -0.220 0.000 2.273 354 V HA -0.188 3.923 4.120 -0.014 0.000 0.242 354 V C 1.962 178.014 176.094 -0.070 0.000 1.035 354 V CA 1.727 63.960 62.300 -0.112 0.000 1.013 354 V CB -0.391 31.401 31.823 -0.052 0.000 0.652 354 V HN 0.353 nan 8.190 nan 0.000 0.452 355 D N -0.129 120.224 120.400 -0.078 0.000 2.194 355 D HA 0.006 4.637 4.640 -0.014 0.000 0.204 355 D C 2.012 178.284 176.300 -0.047 0.000 0.964 355 D CA 1.097 55.068 54.000 -0.049 0.000 0.846 355 D CB 0.115 40.884 40.800 -0.052 0.000 0.962 355 D HN 0.330 nan 8.370 nan 0.000 0.490 356 L N 0.122 121.301 121.223 -0.072 0.000 2.362 356 L HA 0.123 4.454 4.340 -0.014 0.000 0.204 356 L C 1.842 178.683 176.870 -0.049 0.000 1.060 356 L CA 0.483 55.291 54.840 -0.053 0.000 0.827 356 L CB 0.163 42.190 42.059 -0.054 0.000 1.027 356 L HN -0.184 nan 8.230 nan 0.000 0.474 357 E N 0.303 120.442 120.200 -0.101 0.000 2.447 357 E HA 0.062 4.403 4.350 -0.014 0.000 0.195 357 E C 0.087 176.657 176.600 -0.049 0.000 1.028 357 E CA -0.041 56.311 56.400 -0.081 0.000 0.876 357 E CB 0.454 30.007 29.700 -0.245 0.000 0.885 357 E HN 0.197 nan 8.360 nan 0.000 0.500 358 R N -0.153 120.311 120.500 -0.060 0.000 3.656 358 R HA -0.176 4.155 4.340 -0.014 0.000 0.297 358 R C -0.346 175.943 176.300 -0.018 0.000 1.166 358 R CA 0.221 56.308 56.100 -0.022 0.000 0.799 358 R CB -2.836 27.468 30.300 0.007 0.000 1.285 358 R HN 0.079 nan 8.270 nan 0.000 0.477 359 L N 1.667 122.852 121.223 -0.063 0.000 2.436 359 L HA 0.102 4.434 4.340 -0.014 0.000 0.265 359 L C 1.252 178.117 176.870 -0.007 0.000 1.168 359 L CA 0.343 55.154 54.840 -0.047 0.000 0.815 359 L CB 0.432 42.415 42.059 -0.127 0.000 1.109 359 L HN 0.182 nan 8.230 nan 0.000 0.462 360 D N 0.223 120.643 120.400 0.033 0.000 2.357 360 D HA -0.104 4.528 4.640 -0.014 0.000 0.242 360 D C 0.933 177.303 176.300 0.118 0.000 1.153 360 D CA -0.426 53.627 54.000 0.089 0.000 0.918 360 D CB 0.469 41.327 40.800 0.096 0.000 1.181 360 D HN 0.531 nan 8.370 nan 0.000 0.435 361 W N 1.787 123.091 121.300 0.007 0.000 2.317 361 W HA -0.245 4.406 4.660 -0.014 0.000 0.318 361 W C 0.825 177.390 176.519 0.076 0.000 1.227 361 W CA 1.881 59.237 57.345 0.018 0.000 1.269 361 W CB -0.353 29.098 29.460 -0.015 0.000 1.155 361 W HN 0.502 nan 8.180 nan 0.000 0.484 362 D N 0.276 120.875 120.400 0.331 0.000 2.144 362 D HA -0.183 4.449 4.640 -0.014 0.000 0.199 362 D C 1.875 178.278 176.300 0.173 0.000 0.984 362 D CA 1.761 55.934 54.000 0.288 0.000 0.834 362 D CB -0.327 40.618 40.800 0.241 0.000 0.955 362 D HN 0.115 nan 8.370 nan 0.000 0.465 363 K N 1.283 121.741 120.400 0.096 0.000 2.031 363 K HA 0.039 4.351 4.320 -0.014 0.000 0.205 363 K C 1.885 178.472 176.600 -0.022 0.000 1.049 363 K CA 1.342 57.657 56.287 0.047 0.000 0.939 363 K CB -0.535 31.989 32.500 0.040 0.000 0.717 363 K HN -0.033 nan 8.250 nan 0.000 0.438 364 A N 1.022 123.786 122.820 -0.093 0.000 1.892 364 A HA -0.231 4.080 4.320 -0.014 0.000 0.218 364 A C 2.264 179.745 177.584 -0.172 0.000 1.188 364 A CA 1.751 53.663 52.037 -0.210 0.000 0.631 364 A CB -1.394 17.418 19.000 -0.314 0.000 0.822 364 A HN 0.715 nan 8.150 nan 0.000 0.447 365 W N 0.540 121.617 121.300 -0.371 0.000 2.335 365 W HA -0.207 4.445 4.660 -0.014 0.000 0.311 365 W C 2.070 178.522 176.519 -0.111 0.000 1.213 365 W CA 2.005 59.183 57.345 -0.279 0.000 1.274 365 W CB -0.189 29.141 29.460 -0.216 0.000 1.148 365 W HN 0.634 nan 8.180 nan 0.000 0.498 366 E N 0.019 120.196 120.200 -0.038 0.000 2.058 366 E HA -0.238 4.103 4.350 -0.014 0.000 0.194 366 E C 2.044 178.558 176.600 -0.142 0.000 0.997 366 E CA 2.083 58.430 56.400 -0.088 0.000 0.801 366 E CB -0.342 29.369 29.700 0.018 0.000 0.746 366 E HN 0.067 nan 8.360 nan 0.000 0.450 367 V N 0.694 120.540 119.914 -0.114 0.000 2.295 367 V HA -0.269 3.843 4.120 -0.014 0.000 0.246 367 V C 2.412 178.434 176.094 -0.120 0.000 1.049 367 V CA 2.211 64.463 62.300 -0.080 0.000 1.024 367 V CB -0.824 30.942 31.823 -0.095 0.000 0.648 367 V HN 0.390 nan 8.190 nan 0.000 0.447 368 T N 0.067 114.476 114.554 -0.243 0.000 2.652 368 T HA -0.192 4.149 4.350 -0.014 0.000 0.267 368 T C 1.940 176.459 174.700 -0.302 0.000 1.039 368 T CA 1.833 63.765 62.100 -0.280 0.000 1.153 368 T CB -0.315 68.326 68.868 -0.378 0.000 0.863 368 T HN 0.275 nan 8.240 nan 0.000 0.428 369 V N 1.315 120.938 119.914 -0.486 0.000 2.295 369 V HA -0.166 3.945 4.120 -0.014 0.000 0.246 369 V C 2.379 178.429 176.094 -0.073 0.000 1.049 369 V CA 1.641 63.713 62.300 -0.380 0.000 1.024 369 V CB -0.481 31.029 31.823 -0.520 0.000 0.648 369 V HN 0.455 nan 8.190 nan 0.000 0.447 370 K N -0.526 119.815 120.400 -0.098 0.000 2.283 370 K HA -0.099 4.213 4.320 -0.014 0.000 0.202 370 K C 2.097 178.675 176.600 -0.036 0.000 1.048 370 K CA 1.543 57.758 56.287 -0.120 0.000 0.948 370 K CB -0.201 32.228 32.500 -0.120 0.000 0.742 370 K HN 0.468 nan 8.250 nan 0.000 0.458 371 T N 0.101 114.690 114.554 0.059 0.000 2.976 371 T HA 0.018 4.360 4.350 -0.014 0.000 0.257 371 T C 0.854 175.665 174.700 0.185 0.000 1.051 371 T CA 0.425 62.595 62.100 0.117 0.000 1.141 371 T CB 0.129 69.097 68.868 0.167 0.000 0.881 371 T HN 0.164 nan 8.240 nan 0.000 0.461 372 C N 2.340 121.732 119.300 0.154 0.000 2.365 372 C HA 0.886 5.338 4.460 -0.014 0.000 0.351 372 C C 0.555 175.592 174.990 0.077 0.000 1.240 372 C CA -1.235 57.846 59.018 0.105 0.000 2.062 372 C CB 0.180 27.922 27.740 0.003 0.000 2.387 372 C HN 0.586 nan 8.230 nan 0.000 0.537 373 A N 2.167 125.027 122.820 0.067 0.000 2.475 373 A HA 0.779 5.090 4.320 -0.014 0.000 0.301 373 A C -1.574 176.073 177.584 0.104 0.000 1.059 373 A CA -0.428 51.596 52.037 -0.022 0.000 0.710 373 A CB 1.069 20.057 19.000 -0.020 0.000 1.288 373 A HN 0.942 nan 8.150 nan 0.000 0.408 374 Y N 1.018 121.257 120.300 -0.101 0.000 2.376 374 Y HA 0.627 5.168 4.550 -0.014 0.000 0.340 374 Y C -0.545 175.326 175.900 -0.048 0.000 0.965 374 Y CA -0.318 57.734 58.100 -0.079 0.000 1.078 374 Y CB 2.050 40.419 38.460 -0.152 0.000 1.193 374 Y HN 0.571 nan 8.280 nan 0.000 0.452 375 T N 6.564 120.894 114.554 -0.372 0.000 2.758 375 T HA 0.188 4.529 4.350 -0.014 0.000 0.285 375 T C -0.758 173.490 174.700 -0.753 0.000 0.981 375 T CA -0.799 61.026 62.100 -0.458 0.000 0.965 375 T CB 0.436 69.275 68.868 -0.048 0.000 0.927 375 T HN 0.654 nan 8.240 nan 0.000 0.448 376 N N 1.833 120.080 118.700 -0.754 0.000 2.479 376 N HA 0.130 4.862 4.740 -0.014 0.000 0.285 376 N C -0.003 175.379 175.510 -0.213 0.000 1.075 376 N CA -0.331 52.507 53.050 -0.354 0.000 0.967 376 N CB 0.768 39.212 38.487 -0.072 0.000 1.137 376 N HN 0.675 nan 8.380 nan 0.000 0.472 377 H N 1.000 120.096 119.070 0.044 0.000 3.058 377 H HA 0.166 4.714 4.556 -0.015 0.000 0.266 377 H C -0.242 175.024 175.328 -0.103 0.000 1.135 377 H CA -0.045 55.982 56.048 -0.035 0.000 1.174 377 H CB 1.151 30.901 29.762 -0.021 0.000 1.581 377 H HN 0.509 nan 8.280 nan 0.000 0.553 378 T N 0.313 114.914 114.554 0.079 0.000 2.886 378 T HA 0.243 4.585 4.350 -0.014 0.000 0.330 378 T C 0.457 175.200 174.700 0.072 0.000 1.488 378 T CA -0.380 61.722 62.100 0.004 0.000 1.054 378 T CB 1.449 70.318 68.868 0.002 0.000 1.348 378 T HN -0.028 nan 8.240 nan 0.000 0.489 379 V N 1.619 121.531 119.914 -0.003 0.000 3.605 379 V HA 0.555 4.667 4.120 -0.014 0.000 0.284 379 V C 0.645 176.710 176.094 -0.049 0.000 1.386 379 V CA -0.029 62.258 62.300 -0.022 0.000 1.053 379 V CB -0.380 31.431 31.823 -0.019 0.000 0.857 379 V HN 0.694 nan 8.190 nan 0.000 0.436 380 L N 3.073 124.258 121.223 -0.063 0.000 2.462 380 L HA 0.222 4.553 4.340 -0.014 0.000 0.272 380 L C -0.645 176.235 176.870 0.017 0.000 1.166 380 L CA -1.007 53.822 54.840 -0.018 0.000 0.880 380 L CB 0.810 42.850 42.059 -0.032 0.000 1.142 380 L HN 0.133 nan 8.230 nan 0.000 0.473 381 P HA -0.199 nan 4.420 nan 0.000 0.218 381 P C 0.980 178.298 177.300 0.030 0.000 1.149 381 P CA 1.156 64.265 63.100 0.015 0.000 0.817 381 P CB 0.056 31.767 31.700 0.019 0.000 0.785 382 E N 0.397 120.652 120.200 0.092 0.000 2.418 382 E HA -0.056 4.286 4.350 -0.014 0.000 0.197 382 E C 1.555 178.186 176.600 0.050 0.000 1.026 382 E CA 1.027 57.498 56.400 0.117 0.000 0.862 382 E CB -0.683 29.205 29.700 0.313 0.000 0.799 382 E HN 0.192 nan 8.360 nan 0.000 0.518 383 A N 1.237 124.100 122.820 0.072 0.000 2.195 383 A HA 0.234 4.545 4.320 -0.014 0.000 0.210 383 A C 1.335 178.923 177.584 0.006 0.000 1.165 383 A CA -0.297 51.784 52.037 0.074 0.000 0.806 383 A CB -0.045 19.019 19.000 0.107 0.000 0.847 383 A HN 0.150 nan 8.150 nan 0.000 0.482 384 L N 1.437 122.618 121.223 -0.069 0.000 2.416 384 L HA 0.149 4.481 4.340 -0.014 0.000 0.272 384 L C -0.096 176.465 176.870 -0.516 0.000 1.161 384 L CA -0.150 54.588 54.840 -0.170 0.000 0.845 384 L CB 0.540 42.527 42.059 -0.119 0.000 1.119 384 L HN 0.332 nan 8.230 nan 0.000 0.464 385 E N 4.115 123.929 120.200 -0.644 0.000 2.180 385 E HA 0.203 4.545 4.350 -0.014 0.000 0.283 385 E C -0.600 175.337 176.600 -1.105 0.000 1.061 385 E CA -0.153 55.420 56.400 -1.378 0.000 0.861 385 E CB 0.673 29.942 29.700 -0.717 0.000 1.056 385 E HN 0.402 nan 8.360 nan 0.000 0.407 386 R N 3.805 123.449 120.500 -1.427 0.000 2.415 386 R HA 0.193 4.525 4.340 -0.014 0.000 0.292 386 R C -1.185 174.900 176.300 -0.359 0.000 1.295 386 R CA -0.571 55.176 56.100 -0.589 0.000 1.137 386 R CB 0.787 30.894 30.300 -0.320 0.000 1.135 386 R HN 0.443 nan 8.270 nan 0.000 0.560 387 W N 4.411 125.643 121.300 -0.113 0.000 2.311 387 W HA 0.249 4.901 4.660 -0.014 0.000 0.310 387 W C -1.884 174.618 176.519 -0.029 0.000 1.274 387 W CA -2.067 55.290 57.345 0.020 0.000 1.215 387 W CB 0.667 30.115 29.460 -0.019 0.000 1.227 387 W HN 0.251 nan 8.180 nan 0.000 0.523 388 P HA -0.097 nan 4.420 nan 0.000 0.265 388 P C 0.800 178.070 177.300 -0.051 0.000 1.193 388 P CA 0.212 63.321 63.100 0.014 0.000 0.765 388 P CB 0.751 32.325 31.700 -0.209 0.000 0.823 389 V N 3.212 123.140 119.914 0.023 0.000 2.392 389 V HA -0.286 3.825 4.120 -0.014 0.000 0.249 389 V C 2.144 178.254 176.094 0.026 0.000 1.059 389 V CA 2.567 64.892 62.300 0.042 0.000 1.051 389 V CB -1.715 30.191 31.823 0.139 0.000 0.658 389 V HN 0.768 nan 8.190 nan 0.000 0.455 390 H N -1.385 117.744 119.070 0.099 0.000 2.456 390 H HA -0.119 4.428 4.556 -0.014 0.000 0.296 390 H C 1.897 177.276 175.328 0.084 0.000 1.079 390 H CA 1.582 57.684 56.048 0.089 0.000 1.322 390 H CB -0.434 29.382 29.762 0.089 0.000 1.388 390 H HN 0.331 nan 8.280 nan 0.000 0.538 391 L N 0.344 121.383 121.223 -0.307 0.000 2.044 391 L HA 0.006 4.337 4.340 -0.014 0.000 0.205 391 L C 2.244 179.059 176.870 -0.090 0.000 1.075 391 L CA 1.266 56.030 54.840 -0.127 0.000 0.747 391 L CB -0.581 41.397 42.059 -0.135 0.000 0.903 391 L HN 0.382 nan 8.230 nan 0.000 0.435 392 L N -1.037 120.114 121.223 -0.120 0.000 2.093 392 L HA -0.197 4.134 4.340 -0.014 0.000 0.208 392 L C 2.458 179.267 176.870 -0.103 0.000 1.085 392 L CA 1.146 55.892 54.840 -0.157 0.000 0.755 392 L CB -0.447 41.507 42.059 -0.175 0.000 0.904 392 L HN 0.349 nan 8.230 nan 0.000 0.435 393 E N -0.332 119.849 120.200 -0.031 0.000 2.058 393 E HA -0.225 4.116 4.350 -0.014 0.000 0.194 393 E C 1.916 178.552 176.600 0.060 0.000 0.997 393 E CA 2.020 58.434 56.400 0.023 0.000 0.801 393 E CB 0.122 29.876 29.700 0.089 0.000 0.746 393 E HN 0.418 nan 8.360 nan 0.000 0.450 394 T N 0.639 115.251 114.554 0.097 0.000 2.809 394 T HA -0.075 4.266 4.350 -0.014 0.000 0.260 394 T C 1.754 176.564 174.700 0.184 0.000 1.039 394 T CA 0.831 63.041 62.100 0.183 0.000 1.141 394 T CB -0.172 68.836 68.868 0.233 0.000 0.869 394 T HN 0.081 nan 8.240 nan 0.000 0.437 395 L N 0.006 121.237 121.223 0.013 0.000 2.095 395 L HA 0.324 4.655 4.340 -0.014 0.000 0.204 395 L C 0.484 177.294 176.870 -0.100 0.000 1.080 395 L CA 1.598 56.323 54.840 -0.192 0.000 0.759 395 L CB 0.026 41.930 42.059 -0.258 0.000 0.914 395 L HN 0.174 nan 8.230 nan 0.000 0.439 396 L N 0.621 121.750 121.223 -0.156 0.000 2.625 396 L HA 0.285 4.616 4.340 -0.014 0.000 0.255 396 L C -1.692 174.992 176.870 -0.310 0.000 1.493 396 L CA -0.937 53.725 54.840 -0.296 0.000 0.796 396 L CB 0.830 42.588 42.059 -0.502 0.000 1.064 396 L HN -0.040 nan 8.230 nan 0.000 0.516 397 P HA -0.191 nan 4.420 nan 0.000 0.216 397 P C 1.448 178.548 177.300 -0.333 0.000 1.150 397 P CA 1.101 64.074 63.100 -0.212 0.000 0.837 397 P CB 0.381 32.032 31.700 -0.082 0.000 0.786 398 R N -0.131 119.985 120.500 -0.640 0.000 2.090 398 R HA -0.124 4.208 4.340 -0.014 0.000 0.228 398 R C 2.285 178.263 176.300 -0.538 0.000 1.110 398 R CA 1.623 57.349 56.100 -0.623 0.000 0.973 398 R CB -1.661 28.104 30.300 -0.892 0.000 0.869 398 R HN 0.252 nan 8.270 nan 0.000 0.440 399 H N -0.352 118.404 119.070 -0.525 0.000 2.387 399 H HA -0.038 4.509 4.556 -0.014 0.000 0.299 399 H C 1.814 176.965 175.328 -0.295 0.000 1.090 399 H CA 1.607 57.431 56.048 -0.372 0.000 1.332 399 H CB -0.113 29.395 29.762 -0.422 0.000 1.386 399 H HN 0.074 nan 8.280 nan 0.000 0.516 400 L N 0.556 121.647 121.223 -0.219 0.000 2.042 400 L HA -0.262 4.070 4.340 -0.014 0.000 0.210 400 L C 1.904 178.565 176.870 -0.348 0.000 1.076 400 L CA 1.641 56.282 54.840 -0.333 0.000 0.749 400 L CB -0.299 41.577 42.059 -0.305 0.000 0.893 400 L HN 0.457 nan 8.230 nan 0.000 0.432 401 Q N -0.359 119.345 119.800 -0.161 0.000 2.084 401 Q HA -0.236 4.095 4.340 -0.014 0.000 0.202 401 Q C 2.167 178.178 176.000 0.018 0.000 0.978 401 Q CA 1.636 57.437 55.803 -0.003 0.000 0.844 401 Q CB -0.101 28.643 28.738 0.011 0.000 0.898 401 Q HN 0.554 nan 8.270 nan 0.000 0.426 402 I N 0.346 120.905 120.570 -0.018 0.000 2.315 402 I HA -0.269 3.893 4.170 -0.014 0.000 0.248 402 I C 2.111 178.306 176.117 0.129 0.000 1.117 402 I CA 1.020 62.392 61.300 0.121 0.000 1.404 402 I CB -0.100 37.925 38.000 0.042 0.000 1.071 402 I HN 0.183 nan 8.210 nan 0.000 0.419 403 I N -0.595 119.969 120.570 -0.010 0.000 2.286 403 I HA -0.311 3.851 4.170 -0.014 0.000 0.248 403 I C 2.334 178.471 176.117 0.033 0.000 1.115 403 I CA 1.335 62.619 61.300 -0.025 0.000 1.392 403 I CB -0.342 37.575 38.000 -0.137 0.000 1.065 403 I HN 0.155 nan 8.210 nan 0.000 0.418 404 Y N 0.812 121.121 120.300 0.014 0.000 2.181 404 Y HA -0.273 4.268 4.550 -0.014 0.000 0.288 404 Y C 2.607 178.479 175.900 -0.047 0.000 1.146 404 Y CA 1.517 59.612 58.100 -0.008 0.000 1.164 404 Y CB -0.810 37.637 38.460 -0.022 0.000 0.982 404 Y HN 0.184 nan 8.280 nan 0.000 0.515 405 E N 0.404 120.651 120.200 0.078 0.000 2.077 405 E HA -0.150 4.192 4.350 -0.014 0.000 0.193 405 E C 2.065 178.592 176.600 -0.123 0.000 0.989 405 E CA 1.286 57.593 56.400 -0.155 0.000 0.800 405 E CB -0.546 28.900 29.700 -0.423 0.000 0.746 405 E HN 0.480 nan 8.360 nan 0.000 0.452 406 I N 0.616 121.222 120.570 0.061 0.000 2.163 406 I HA -0.288 3.873 4.170 -0.014 0.000 0.243 406 I C 2.272 178.401 176.117 0.021 0.000 1.085 406 I CA 1.421 62.715 61.300 -0.010 0.000 1.347 406 I CB -0.405 37.595 38.000 0.000 0.000 1.044 406 I HN 0.208 nan 8.210 nan 0.000 0.408 407 N N 0.679 119.436 118.700 0.095 0.000 2.120 407 N HA -0.263 4.469 4.740 -0.014 0.000 0.188 407 N C 1.871 177.469 175.510 0.148 0.000 1.024 407 N CA 1.468 54.621 53.050 0.173 0.000 0.852 407 N CB -0.142 38.463 38.487 0.196 0.000 1.003 407 N HN 0.334 nan 8.380 nan 0.000 0.424 408 Q N 0.065 119.897 119.800 0.053 0.000 2.050 408 Q HA -0.123 4.208 4.340 -0.014 0.000 0.202 408 Q C 1.954 177.941 176.000 -0.023 0.000 0.980 408 Q CA 1.296 57.095 55.803 -0.008 0.000 0.840 408 Q CB 0.002 28.695 28.738 -0.074 0.000 0.898 408 Q HN 0.386 nan 8.270 nan 0.000 0.424 409 R N -0.661 119.806 120.500 -0.055 0.000 2.092 409 R HA -0.110 4.221 4.340 -0.014 0.000 0.231 409 R C 2.189 178.517 176.300 0.047 0.000 1.119 409 R CA 1.265 57.330 56.100 -0.058 0.000 0.970 409 R CB -0.362 29.851 30.300 -0.146 0.000 0.864 409 R HN 0.266 nan 8.270 nan 0.000 0.440 410 F N 1.524 121.450 119.950 -0.039 0.000 2.102 410 F HA -0.109 4.409 4.527 -0.014 0.000 0.298 410 F C 1.845 177.669 175.800 0.040 0.000 1.105 410 F CA 1.369 59.394 58.000 0.041 0.000 1.239 410 F CB -0.193 38.862 39.000 0.093 0.000 0.991 410 F HN -0.114 nan 8.300 nan 0.000 0.474 411 L N -0.068 121.163 121.223 0.014 0.000 2.201 411 L HA -0.220 4.112 4.340 -0.014 0.000 0.212 411 L C 2.012 178.816 176.870 -0.109 0.000 1.105 411 L CA 1.432 56.218 54.840 -0.091 0.000 0.775 411 L CB -0.876 41.195 42.059 0.020 0.000 0.913 411 L HN 0.253 nan 8.230 nan 0.000 0.440 412 N N -0.113 118.543 118.700 -0.073 0.000 2.120 412 N HA -0.180 4.551 4.740 -0.014 0.000 0.188 412 N C 1.910 177.368 175.510 -0.086 0.000 1.024 412 N CA 0.898 53.906 53.050 -0.069 0.000 0.852 412 N CB -0.010 38.444 38.487 -0.056 0.000 1.003 412 N HN 0.282 nan 8.380 nan 0.000 0.424 413 R N 0.499 120.930 120.500 -0.114 0.000 2.092 413 R HA -0.048 4.283 4.340 -0.014 0.000 0.231 413 R C 2.159 178.363 176.300 -0.160 0.000 1.119 413 R CA 0.832 56.860 56.100 -0.121 0.000 0.970 413 R CB -0.254 29.984 30.300 -0.103 0.000 0.864 413 R HN 0.100 nan 8.270 nan 0.000 0.440 414 V N 0.863 120.628 119.914 -0.248 0.000 2.358 414 V HA -0.213 3.899 4.120 -0.014 0.000 0.246 414 V C 2.428 178.519 176.094 -0.006 0.000 1.047 414 V CA 1.919 64.133 62.300 -0.143 0.000 1.035 414 V CB -0.690 30.971 31.823 -0.269 0.000 0.658 414 V HN 0.387 nan 8.190 nan 0.000 0.452 415 A N 0.079 122.868 122.820 -0.051 0.000 1.933 415 A HA -0.114 4.197 4.320 -0.014 0.000 0.218 415 A C 2.368 179.932 177.584 -0.033 0.000 1.175 415 A CA 2.091 54.115 52.037 -0.022 0.000 0.628 415 A CB -0.671 18.307 19.000 -0.037 0.000 0.814 415 A HN 0.577 nan 8.150 nan 0.000 0.444 416 A N -0.688 122.095 122.820 -0.063 0.000 2.014 416 A HA 0.330 4.642 4.320 -0.014 0.000 0.218 416 A C 2.334 179.836 177.584 -0.137 0.000 1.163 416 A CA 1.636 53.624 52.037 -0.081 0.000 0.652 416 A CB -0.601 18.355 19.000 -0.072 0.000 0.808 416 A HN 0.941 nan 8.150 nan 0.000 0.449 417 A N -1.637 121.065 122.820 -0.197 0.000 1.984 417 A HA 0.400 4.712 4.320 -0.014 0.000 0.214 417 A C 0.454 177.617 177.584 -0.702 0.000 1.173 417 A CA 0.477 52.235 52.037 -0.464 0.000 0.673 417 A CB -0.116 18.546 19.000 -0.563 0.000 0.830 417 A HN 0.404 nan 8.150 nan 0.000 0.453 418 F N 0.257 120.160 119.950 -0.078 0.000 2.523 418 F HA 0.339 4.857 4.527 -0.014 0.000 0.322 418 F C -2.749 173.014 175.800 -0.061 0.000 1.361 418 F CA -2.852 55.106 58.000 -0.069 0.000 1.151 418 F CB 0.773 39.724 39.000 -0.083 0.000 1.391 418 F HN -0.053 nan 8.300 nan 0.000 0.566 419 P HA 0.195 nan 4.420 nan 0.000 0.264 419 P C 1.021 178.340 177.300 0.032 0.000 1.193 419 P CA 0.912 64.023 63.100 0.018 0.000 0.763 419 P CB 0.933 32.625 31.700 -0.014 0.000 0.810 420 G N 2.353 111.165 108.800 0.020 0.000 2.205 420 G HA2 -0.245 3.707 3.960 -0.014 0.000 0.261 420 G HA3 -0.245 3.707 3.960 -0.014 0.000 0.261 420 G C 0.285 175.194 174.900 0.016 0.000 0.980 420 G CA 0.068 45.176 45.100 0.014 0.000 0.632 420 G HN 0.617 nan 8.290 nan 0.000 0.533 421 D N 1.360 121.778 120.400 0.030 0.000 2.508 421 D HA 0.388 5.019 4.640 -0.014 0.000 0.224 421 D C 2.050 178.341 176.300 -0.016 0.000 1.171 421 D CA 0.368 54.372 54.000 0.006 0.000 1.006 421 D CB 0.426 41.230 40.800 0.007 0.000 1.073 421 D HN 0.571 nan 8.370 nan 0.000 0.513 422 V N 0.718 120.624 119.914 -0.013 0.000 2.548 422 V HA -0.106 4.006 4.120 -0.014 0.000 0.249 422 V C 1.770 177.852 176.094 -0.020 0.000 1.055 422 V CA 1.363 63.654 62.300 -0.014 0.000 1.065 422 V CB -0.450 31.368 31.823 -0.008 0.000 0.681 422 V HN 0.219 nan 8.190 nan 0.000 0.462 423 D N 0.327 120.712 120.400 -0.025 0.000 2.224 423 D HA -0.141 4.490 4.640 -0.014 0.000 0.205 423 D C 2.312 178.583 176.300 -0.048 0.000 0.965 423 D CA 1.069 55.054 54.000 -0.026 0.000 0.852 423 D CB -0.155 40.631 40.800 -0.023 0.000 0.947 423 D HN 0.426 nan 8.370 nan 0.000 0.494 424 R N -0.128 120.320 120.500 -0.087 0.000 2.081 424 R HA -0.097 4.234 4.340 -0.014 0.000 0.235 424 R C 2.208 178.439 176.300 -0.115 0.000 1.131 424 R CA 0.930 56.941 56.100 -0.150 0.000 0.960 424 R CB -0.233 29.917 30.300 -0.249 0.000 0.856 424 R HN 0.249 nan 8.270 nan 0.000 0.436 425 L N 0.676 121.856 121.223 -0.071 0.000 2.012 425 L HA -0.243 4.088 4.340 -0.014 0.000 0.210 425 L C 2.775 179.648 176.870 0.006 0.000 1.073 425 L CA 2.099 56.916 54.840 -0.038 0.000 0.748 425 L CB -0.621 41.425 42.059 -0.022 0.000 0.891 425 L HN 0.337 nan 8.230 nan 0.000 0.431 426 R N 0.124 120.633 120.500 0.015 0.000 2.115 426 R HA -0.118 4.213 4.340 -0.014 0.000 0.230 426 R C 2.258 178.608 176.300 0.084 0.000 1.111 426 R CA 1.015 57.146 56.100 0.051 0.000 0.976 426 R CB -0.428 29.897 30.300 0.041 0.000 0.870 426 R HN 0.241 nan 8.270 nan 0.000 0.445 427 R N 0.277 120.808 120.500 0.052 0.000 2.092 427 R HA 0.061 4.393 4.340 -0.014 0.000 0.231 427 R C 2.098 178.483 176.300 0.142 0.000 1.119 427 R CA 1.810 57.965 56.100 0.092 0.000 0.970 427 R CB -0.158 30.155 30.300 0.023 0.000 0.864 427 R HN 0.340 nan 8.270 nan 0.000 0.440 428 M N 0.093 119.701 119.600 0.012 0.000 2.509 428 M HA 0.045 4.516 4.480 -0.014 0.000 0.250 428 M C 0.841 177.291 176.300 0.251 0.000 1.132 428 M CA -0.010 55.246 55.300 -0.073 0.000 1.080 428 M CB 0.482 32.882 32.600 -0.334 0.000 1.408 428 M HN -0.080 nan 8.290 nan 0.000 0.484 429 S N 1.058 116.919 115.700 0.268 0.000 2.558 429 S HA 0.086 4.547 4.470 -0.014 0.000 0.288 429 S C 1.137 175.992 174.600 0.425 0.000 1.318 429 S CA -0.302 58.083 58.200 0.308 0.000 1.056 429 S CB 0.611 63.936 63.200 0.207 0.000 0.853 429 S HN 0.375 nan 8.310 nan 0.000 0.505 430 L N 3.986 125.414 121.223 0.342 0.000 2.313 430 L HA 0.100 4.431 4.340 -0.014 0.000 0.214 430 L C 0.334 177.317 176.870 0.188 0.000 1.119 430 L CA 0.319 55.319 54.840 0.268 0.000 0.809 430 L CB -0.431 41.730 42.059 0.170 0.000 0.933 430 L HN 0.411 nan 8.230 nan 0.000 0.449 431 V N 0.976 121.012 119.914 0.203 0.000 2.383 431 V HA 0.151 4.262 4.120 -0.014 0.000 0.275 431 V C 0.159 176.343 176.094 0.150 0.000 1.036 431 V CA -0.538 61.870 62.300 0.180 0.000 0.889 431 V CB 1.275 33.234 31.823 0.226 0.000 0.985 431 V HN 0.177 nan 8.190 nan 0.000 0.459 432 E N 3.117 123.386 120.200 0.114 0.000 2.174 432 E HA 0.379 4.721 4.350 -0.014 0.000 0.282 432 E C -0.605 176.047 176.600 0.088 0.000 0.992 432 E CA -0.549 55.907 56.400 0.093 0.000 0.803 432 E CB 1.952 31.686 29.700 0.057 0.000 1.090 432 E HN 0.620 nan 8.360 nan 0.000 0.396 433 E N 1.053 121.301 120.200 0.080 0.000 2.318 433 E HA 0.599 4.941 4.350 -0.014 0.000 0.265 433 E C -0.019 176.617 176.600 0.061 0.000 1.069 433 E CA 0.197 56.638 56.400 0.068 0.000 0.893 433 E CB 1.413 31.148 29.700 0.057 0.000 1.076 433 E HN 0.636 nan 8.360 nan 0.000 0.414 434 G N 0.329 109.164 108.800 0.058 0.000 2.351 434 G HA2 0.320 4.271 3.960 -0.014 0.000 0.279 434 G HA3 0.320 4.271 3.960 -0.014 0.000 0.279 434 G C 0.287 175.219 174.900 0.054 0.000 1.297 434 G CA 0.164 45.295 45.100 0.052 0.000 0.886 434 G HN 0.603 nan 8.290 nan 0.000 0.493 435 A N -0.849 122.001 122.820 0.051 0.000 1.849 435 A HA 0.298 4.609 4.320 -0.014 0.000 0.217 435 A C 1.687 179.312 177.584 0.069 0.000 1.202 435 A CA 3.508 55.576 52.037 0.052 0.000 0.629 435 A CB -1.308 17.721 19.000 0.047 0.000 0.834 435 A HN 2.251 nan 8.150 nan 0.000 0.447 436 V N -2.605 117.362 119.914 0.087 0.000 2.427 436 V HA 0.496 4.607 4.120 -0.014 0.000 0.286 436 V C -0.316 175.849 176.094 0.119 0.000 1.034 436 V CA -1.337 61.038 62.300 0.126 0.000 0.893 436 V CB 1.243 33.171 31.823 0.174 0.000 0.982 436 V HN 0.326 nan 8.190 nan 0.000 0.452 437 K N 4.234 124.713 120.400 0.132 0.000 2.401 437 K HA 0.438 4.749 4.320 -0.014 0.000 0.278 437 K C -0.270 176.403 176.600 0.122 0.000 1.018 437 K CA -0.079 56.282 56.287 0.124 0.000 0.981 437 K CB 0.828 33.413 32.500 0.142 0.000 0.933 437 K HN 0.741 nan 8.250 nan 0.000 0.477 438 R N 1.751 122.309 120.500 0.097 0.000 2.854 438 R HA 0.476 4.807 4.340 -0.014 0.000 0.271 438 R C -0.521 175.819 176.300 0.065 0.000 0.994 438 R CA -1.023 55.123 56.100 0.076 0.000 0.945 438 R CB 1.293 31.616 30.300 0.039 0.000 1.194 438 R HN 0.370 nan 8.270 nan 0.000 0.476 439 I N 1.914 122.517 120.570 0.056 0.000 2.336 439 I HA 0.153 4.314 4.170 -0.014 0.000 0.292 439 I C -0.103 175.996 176.117 -0.030 0.000 0.991 439 I CA -0.697 60.623 61.300 0.034 0.000 1.227 439 I CB 1.058 39.079 38.000 0.034 0.000 1.366 439 I HN 0.500 nan 8.210 nan 0.000 0.466 440 N N 7.030 125.686 118.700 -0.073 0.000 2.402 440 N HA 0.106 4.837 4.740 -0.014 0.000 0.252 440 N C 0.755 176.163 175.510 -0.169 0.000 1.118 440 N CA -0.315 52.610 53.050 -0.208 0.000 0.945 440 N CB 1.005 39.229 38.487 -0.439 0.000 1.147 440 N HN 0.384 nan 8.380 nan 0.000 0.495 441 M N 2.399 121.898 119.600 -0.168 0.000 2.319 441 M HA -0.022 4.449 4.480 -0.014 0.000 0.265 441 M C 1.903 178.060 176.300 -0.239 0.000 1.068 441 M CA 0.613 55.834 55.300 -0.132 0.000 1.118 441 M CB -1.463 31.107 32.600 -0.050 0.000 1.395 441 M HN 0.603 nan 8.290 nan 0.000 0.435 442 A N -0.455 122.217 122.820 -0.247 0.000 1.930 442 A HA -0.166 4.146 4.320 -0.014 0.000 0.217 442 A C 1.970 179.314 177.584 -0.401 0.000 1.175 442 A CA 1.409 53.252 52.037 -0.325 0.000 0.627 442 A CB -1.101 17.909 19.000 0.017 0.000 0.815 442 A HN 0.588 nan 8.150 nan 0.000 0.443 443 H N -1.045 117.807 119.070 -0.362 0.000 2.389 443 H HA -0.025 4.522 4.556 -0.014 0.000 0.299 443 H C 2.121 177.228 175.328 -0.369 0.000 1.081 443 H CA 0.923 56.725 56.048 -0.409 0.000 1.345 443 H CB -0.055 29.688 29.762 -0.033 0.000 1.393 443 H HN 0.368 nan 8.280 nan 0.000 0.520 444 L N 0.469 121.609 121.223 -0.137 0.000 2.012 444 L HA -0.232 4.099 4.340 -0.014 0.000 0.210 444 L C 2.221 178.949 176.870 -0.237 0.000 1.073 444 L CA 1.363 56.117 54.840 -0.143 0.000 0.748 444 L CB -0.424 41.579 42.059 -0.094 0.000 0.891 444 L HN 0.451 nan 8.230 nan 0.000 0.431 445 C N -0.026 119.027 119.300 -0.412 0.000 2.429 445 C HA -0.165 4.286 4.460 -0.014 0.000 0.277 445 C C 2.664 177.380 174.990 -0.457 0.000 1.262 445 C CA 0.568 59.256 59.018 -0.551 0.000 1.733 445 C CB -0.755 26.261 27.740 -1.207 0.000 2.010 445 C HN 0.513 nan 8.230 nan 0.000 0.483 446 I N 1.395 121.650 120.570 -0.524 0.000 2.202 446 I HA -0.180 3.982 4.170 -0.014 0.000 0.242 446 I C 2.782 178.745 176.117 -0.256 0.000 1.091 446 I CA 1.602 62.644 61.300 -0.429 0.000 1.368 446 I CB -0.620 36.981 38.000 -0.666 0.000 1.058 446 I HN 0.249 nan 8.210 nan 0.000 0.410 447 A N 0.669 123.308 122.820 -0.303 0.000 1.908 447 A HA -0.153 4.158 4.320 -0.014 0.000 0.218 447 A C 2.228 179.849 177.584 0.061 0.000 1.181 447 A CA 2.048 53.945 52.037 -0.233 0.000 0.627 447 A CB -1.299 17.383 19.000 -0.530 0.000 0.818 447 A HN 0.493 nan 8.150 nan 0.000 0.445 448 G N -1.340 107.441 108.800 -0.032 0.000 3.284 448 G HA2 0.407 4.358 3.960 -0.014 0.000 0.236 448 G HA3 0.407 4.358 3.960 -0.014 0.000 0.236 448 G C 0.153 174.895 174.900 -0.264 0.000 1.158 448 G CA 0.530 45.505 45.100 -0.207 0.000 0.774 448 G HN 0.358 nan 8.290 nan 0.000 0.545 449 S N -0.382 115.214 115.700 -0.173 0.000 2.536 449 S HA 0.321 4.782 4.470 -0.014 0.000 0.298 449 S C 0.788 175.336 174.600 -0.087 0.000 1.083 449 S CA -0.702 57.420 58.200 -0.130 0.000 0.995 449 S CB 1.272 64.396 63.200 -0.127 0.000 1.058 449 S HN 0.508 nan 8.310 nan 0.000 0.488 450 H N 0.071 119.104 119.070 -0.061 0.000 2.548 450 H HA 0.473 5.020 4.556 -0.014 0.000 0.268 450 H C 0.156 175.474 175.328 -0.017 0.000 0.975 450 H CA 0.324 56.364 56.048 -0.013 0.000 1.195 450 H CB 0.151 29.919 29.762 0.012 0.000 1.397 450 H HN 0.497 nan 8.280 nan 0.000 0.572 451 A N 0.932 123.450 122.820 -0.504 0.000 2.520 451 A HA 0.568 4.879 4.320 -0.014 0.000 0.298 451 A C -1.414 175.969 177.584 -0.335 0.000 1.051 451 A CA -0.580 51.221 52.037 -0.393 0.000 0.690 451 A CB 2.307 21.050 19.000 -0.429 0.000 1.281 451 A HN 0.097 nan 8.150 nan 0.000 0.402 452 V N 3.977 123.660 119.914 -0.386 0.000 2.577 452 V HA 0.520 4.631 4.120 -0.014 0.000 0.303 452 V C -0.829 175.068 176.094 -0.329 0.000 1.042 452 V CA -0.789 61.269 62.300 -0.403 0.000 0.872 452 V CB 1.816 33.236 31.823 -0.671 0.000 0.998 452 V HN 1.019 nan 8.190 nan 0.000 0.423 453 N N 3.147 121.674 118.700 -0.287 0.000 2.240 453 N HA 0.627 5.359 4.740 -0.014 0.000 0.302 453 N C -0.236 175.167 175.510 -0.177 0.000 1.106 453 N CA -0.358 52.570 53.050 -0.204 0.000 0.778 453 N CB 2.912 41.260 38.487 -0.232 0.000 1.431 453 N HN 0.635 nan 8.380 nan 0.000 0.479 454 G N -0.774 107.964 108.800 -0.103 0.000 2.557 454 G HA2 0.433 4.385 3.960 -0.014 0.000 0.302 454 G HA3 0.433 4.385 3.960 -0.014 0.000 0.302 454 G C 0.705 175.671 174.900 0.111 0.000 1.311 454 G CA -0.427 44.677 45.100 0.007 0.000 1.030 454 G HN 0.650 nan 8.290 nan 0.000 0.509 455 V N -4.032 116.062 119.914 0.300 0.000 3.380 455 V HA 0.707 4.818 4.120 -0.014 0.000 0.307 455 V C 0.524 176.698 176.094 0.133 0.000 1.434 455 V CA 0.436 62.816 62.300 0.134 0.000 1.075 455 V CB -0.631 31.213 31.823 0.035 0.000 0.954 455 V HN 1.334 nan 8.190 nan 0.000 0.444 456 A N 0.012 122.925 122.820 0.156 0.000 2.608 456 A HA 0.659 4.970 4.320 -0.014 0.000 0.292 456 A C 0.695 178.333 177.584 0.089 0.000 1.066 456 A CA -0.100 52.006 52.037 0.115 0.000 0.676 456 A CB 1.246 20.304 19.000 0.096 0.000 1.277 456 A HN 0.023 nan 8.150 nan 0.000 0.413 457 R N 0.594 121.126 120.500 0.054 0.000 2.096 457 R HA -0.143 4.188 4.340 -0.014 0.000 0.240 457 R C 1.581 177.884 176.300 0.005 0.000 1.139 457 R CA 2.255 58.364 56.100 0.015 0.000 0.952 457 R CB -0.213 30.090 30.300 0.006 0.000 0.854 457 R HN 0.807 nan 8.270 nan 0.000 0.436 458 I N 0.222 120.804 120.570 0.020 0.000 2.394 458 I HA -0.268 3.894 4.170 -0.014 0.000 0.251 458 I C 2.289 178.420 176.117 0.023 0.000 1.136 458 I CA 1.622 62.925 61.300 0.006 0.000 1.425 458 I CB -0.196 37.806 38.000 0.003 0.000 1.079 458 I HN 0.342 nan 8.210 nan 0.000 0.425 459 H N 0.261 119.309 119.070 -0.038 0.000 2.326 459 H HA -0.113 4.434 4.556 -0.015 0.000 0.301 459 H C 2.269 177.572 175.328 -0.041 0.000 1.081 459 H CA 2.184 58.206 56.048 -0.042 0.000 1.334 459 H CB -0.224 29.518 29.762 -0.034 0.000 1.385 459 H HN 0.204 nan 8.280 nan 0.000 0.504 460 S N 0.393 115.984 115.700 -0.182 0.000 2.382 460 S HA -0.128 4.334 4.470 -0.014 0.000 0.228 460 S C 1.892 176.382 174.600 -0.183 0.000 1.027 460 S CA 1.202 59.276 58.200 -0.209 0.000 0.991 460 S CB -0.079 63.066 63.200 -0.093 0.000 0.823 460 S HN 0.482 nan 8.310 nan 0.000 0.469 461 E N 1.194 121.307 120.200 -0.145 0.000 2.072 461 E HA -0.012 4.329 4.350 -0.014 0.000 0.191 461 E C 2.029 178.523 176.600 -0.176 0.000 0.985 461 E CA 0.670 56.975 56.400 -0.159 0.000 0.801 461 E CB -0.395 29.241 29.700 -0.107 0.000 0.750 461 E HN 0.505 nan 8.360 nan 0.000 0.452 462 I N 1.041 121.521 120.570 -0.149 0.000 2.264 462 I HA -0.283 3.878 4.170 -0.014 0.000 0.248 462 I C 2.399 178.403 176.117 -0.188 0.000 1.111 462 I CA 0.807 62.022 61.300 -0.141 0.000 1.382 462 I CB -0.236 37.711 38.000 -0.088 0.000 1.060 462 I HN 0.064 nan 8.210 nan 0.000 0.418 463 L N 0.351 121.434 121.223 -0.234 0.000 2.046 463 L HA -0.235 4.096 4.340 -0.014 0.000 0.208 463 L C 2.481 179.259 176.870 -0.153 0.000 1.077 463 L CA 1.604 56.341 54.840 -0.172 0.000 0.747 463 L CB -0.610 41.422 42.059 -0.045 0.000 0.896 463 L HN 0.211 nan 8.230 nan 0.000 0.432 464 K N 0.009 120.230 120.400 -0.298 0.000 2.217 464 K HA -0.117 4.195 4.320 -0.014 0.000 0.202 464 K C 1.984 178.374 176.600 -0.350 0.000 1.051 464 K CA 0.975 56.925 56.287 -0.561 0.000 0.952 464 K CB 0.069 31.979 32.500 -0.983 0.000 0.736 464 K HN 0.285 nan 8.250 nan 0.000 0.453 465 K N -0.264 119.997 120.400 -0.232 0.000 2.308 465 K HA -0.008 4.303 4.320 -0.014 0.000 0.197 465 K C 1.852 178.397 176.600 -0.091 0.000 1.049 465 K CA 1.261 57.464 56.287 -0.140 0.000 0.991 465 K CB 0.602 33.028 32.500 -0.123 0.000 0.836 465 K HN 0.226 nan 8.250 nan 0.000 0.500 466 T N -1.688 112.804 114.554 -0.104 0.000 3.426 466 T HA 0.114 4.455 4.350 -0.014 0.000 0.195 466 T C 1.717 176.363 174.700 -0.090 0.000 0.963 466 T CA -0.360 61.690 62.100 -0.083 0.000 1.154 466 T CB -0.333 68.483 68.868 -0.087 0.000 1.377 466 T HN -0.209 nan 8.240 nan 0.000 0.342 467 I N 1.281 121.733 120.570 -0.196 0.000 2.151 467 I HA -0.016 4.146 4.170 -0.014 0.000 0.243 467 I C 1.598 177.563 176.117 -0.253 0.000 1.080 467 I CA 1.789 62.872 61.300 -0.360 0.000 1.339 467 I CB -1.382 36.176 38.000 -0.735 0.000 1.039 467 I HN 0.338 nan 8.210 nan 0.000 0.409 468 F N 0.327 120.354 119.950 0.128 0.000 2.791 468 F HA 0.232 4.750 4.527 -0.015 0.000 0.308 468 F C 1.888 177.792 175.800 0.173 0.000 1.138 468 F CA -0.451 57.708 58.000 0.264 0.000 1.294 468 F CB 0.070 39.240 39.000 0.284 0.000 0.975 468 F HN -0.063 nan 8.300 nan 0.000 0.512 469 K N 1.041 121.551 120.400 0.184 0.000 2.059 469 K HA -0.236 4.076 4.320 -0.014 0.000 0.212 469 K C 1.313 177.969 176.600 0.093 0.000 1.050 469 K CA 2.335 58.674 56.287 0.086 0.000 0.927 469 K CB -0.037 32.478 32.500 0.024 0.000 0.714 469 K HN 0.181 nan 8.250 nan 0.000 0.447 470 D N -0.137 120.294 120.400 0.052 0.000 2.123 470 D HA -0.166 4.465 4.640 -0.014 0.000 0.196 470 D C 1.843 178.055 176.300 -0.147 0.000 0.992 470 D CA 1.300 55.201 54.000 -0.165 0.000 0.833 470 D CB -0.339 40.266 40.800 -0.326 0.000 0.954 470 D HN 0.263 nan 8.370 nan 0.000 0.455 471 F N -0.186 119.843 119.950 0.132 0.000 2.186 471 F HA -0.145 4.373 4.527 -0.014 0.000 0.299 471 F C 2.358 178.292 175.800 0.223 0.000 1.090 471 F CA 0.526 58.680 58.000 0.257 0.000 1.307 471 F CB -0.690 38.542 39.000 0.388 0.000 1.019 471 F HN -0.032 nan 8.300 nan 0.000 0.489 472 Y N 1.364 121.620 120.300 -0.072 0.000 2.224 472 Y HA -0.198 4.343 4.550 -0.014 0.000 0.289 472 Y C 2.091 177.959 175.900 -0.054 0.000 1.146 472 Y CA 1.614 59.476 58.100 -0.396 0.000 1.182 472 Y CB -0.573 37.474 38.460 -0.688 0.000 0.983 472 Y HN 0.144 nan 8.280 nan 0.000 0.524 473 E N -0.469 119.671 120.200 -0.101 0.000 2.106 473 E HA -0.180 4.162 4.350 -0.014 0.000 0.192 473 E C 1.994 178.651 176.600 0.096 0.000 0.984 473 E CA 1.117 57.477 56.400 -0.066 0.000 0.806 473 E CB -0.263 29.440 29.700 0.005 0.000 0.750 473 E HN 0.409 nan 8.360 nan 0.000 0.458 474 L N 1.056 122.374 121.223 0.159 0.000 2.044 474 L HA -0.076 4.256 4.340 -0.014 0.000 0.205 474 L C 0.248 177.208 176.870 0.149 0.000 1.075 474 L CA 1.745 56.719 54.840 0.223 0.000 0.747 474 L CB 0.305 42.489 42.059 0.208 0.000 0.903 474 L HN -0.078 nan 8.230 nan 0.000 0.435 475 E N -0.361 119.921 120.200 0.137 0.000 3.386 475 E HA 0.179 4.521 4.350 -0.014 0.000 0.236 475 E C -2.013 174.551 176.600 -0.060 0.000 1.227 475 E CA -1.183 55.231 56.400 0.023 0.000 0.970 475 E CB 0.825 30.535 29.700 0.018 0.000 1.343 475 E HN 0.193 nan 8.360 nan 0.000 0.397 476 P HA -0.232 nan 4.420 nan 0.000 0.218 476 P C 1.218 178.617 177.300 0.166 0.000 1.149 476 P CA 1.313 64.313 63.100 -0.166 0.000 0.817 476 P CB -0.048 31.414 31.700 -0.397 0.000 0.785 477 H N 0.240 119.415 119.070 0.175 0.000 2.489 477 H HA 0.056 4.604 4.556 -0.014 0.000 0.293 477 H C 1.460 176.889 175.328 0.169 0.000 1.066 477 H CA 0.800 56.943 56.048 0.158 0.000 1.305 477 H CB -0.654 29.171 29.762 0.105 0.000 1.386 477 H HN 0.148 nan 8.280 nan 0.000 0.551 478 K N 0.290 120.583 120.400 -0.178 0.000 2.217 478 K HA 0.022 4.334 4.320 -0.014 0.000 0.202 478 K C -0.150 176.334 176.600 -0.193 0.000 1.051 478 K CA 0.335 56.514 56.287 -0.180 0.000 0.952 478 K CB 0.078 32.359 32.500 -0.365 0.000 0.736 478 K HN 0.121 nan 8.250 nan 0.000 0.453 479 F N 1.615 121.592 119.950 0.046 0.000 2.411 479 F HA 0.190 4.708 4.527 -0.015 0.000 0.350 479 F C 0.450 176.254 175.800 0.007 0.000 1.114 479 F CA -0.319 57.710 58.000 0.049 0.000 1.135 479 F CB 1.047 40.132 39.000 0.142 0.000 1.120 479 F HN -0.121 nan 8.300 nan 0.000 0.495 480 Q N 1.807 121.638 119.800 0.051 0.000 2.528 480 Q HA 0.337 4.669 4.340 -0.014 0.000 0.289 480 Q C -1.164 174.799 176.000 -0.061 0.000 1.091 480 Q CA -1.239 54.548 55.803 -0.026 0.000 0.797 480 Q CB 3.113 31.780 28.738 -0.118 0.000 1.466 480 Q HN 0.616 nan 8.270 nan 0.000 0.436 481 N N 0.804 119.453 118.700 -0.085 0.000 2.361 481 N HA 0.265 4.996 4.740 -0.014 0.000 0.302 481 N C -1.396 174.021 175.510 -0.156 0.000 1.074 481 N CA -0.382 52.613 53.050 -0.092 0.000 0.850 481 N CB 0.929 39.384 38.487 -0.054 0.000 1.228 481 N HN 0.271 nan 8.380 nan 0.000 0.491 482 K N 2.756 123.064 120.400 -0.153 0.000 2.675 482 K HA 0.188 4.499 4.320 -0.014 0.000 0.224 482 K C -0.913 175.697 176.600 0.017 0.000 1.003 482 K CA -0.498 55.678 56.287 -0.185 0.000 1.034 482 K CB 1.281 33.456 32.500 -0.542 0.000 1.218 482 K HN 0.539 nan 8.250 nan 0.000 0.507 483 T N 2.076 116.656 114.554 0.044 0.000 2.902 483 T HA 0.047 4.389 4.350 -0.014 0.000 0.301 483 T C 0.781 175.607 174.700 0.211 0.000 1.012 483 T CA 0.329 62.504 62.100 0.126 0.000 1.151 483 T CB 0.298 69.241 68.868 0.125 0.000 0.946 483 T HN 0.361 nan 8.240 nan 0.000 0.542 484 N N 0.559 119.403 118.700 0.241 0.000 2.307 484 N HA 0.392 5.124 4.740 -0.014 0.000 0.230 484 N C 0.462 176.158 175.510 0.311 0.000 1.297 484 N CA -0.151 53.073 53.050 0.290 0.000 0.884 484 N CB 0.394 38.994 38.487 0.188 0.000 1.115 484 N HN 0.760 nan 8.380 nan 0.000 0.436 485 G N -0.519 108.474 108.800 0.322 0.000 2.687 485 G HA2 0.624 4.575 3.960 -0.014 0.000 0.291 485 G HA3 0.624 4.575 3.960 -0.014 0.000 0.291 485 G C -1.344 173.689 174.900 0.221 0.000 1.420 485 G CA -0.731 44.542 45.100 0.289 0.000 0.796 485 G HN 0.598 nan 8.290 nan 0.000 0.485 486 I N -2.372 118.312 120.570 0.190 0.000 2.828 486 I HA 0.745 4.906 4.170 -0.014 0.000 0.302 486 I C -0.221 176.049 176.117 0.254 0.000 1.101 486 I CA -0.952 60.451 61.300 0.171 0.000 1.031 486 I CB 2.451 40.445 38.000 -0.011 0.000 1.231 486 I HN 0.487 nan 8.210 nan 0.000 0.427 487 T N 4.008 118.770 114.554 0.346 0.000 2.794 487 T HA 0.373 4.714 4.350 -0.014 0.000 0.296 487 T C -1.511 173.311 174.700 0.203 0.000 0.949 487 T CA -1.609 60.623 62.100 0.219 0.000 1.101 487 T CB 0.786 69.731 68.868 0.127 0.000 0.905 487 T HN 0.637 nan 8.240 nan 0.000 0.516 488 P HA 0.102 nan 4.420 nan 0.000 0.245 488 P C 1.032 178.296 177.300 -0.059 0.000 1.212 488 P CA 0.176 63.313 63.100 0.062 0.000 0.774 488 P CB 0.359 32.084 31.700 0.041 0.000 0.999 489 R N 0.546 120.966 120.500 -0.132 0.000 2.060 489 R HA 0.015 4.347 4.340 -0.014 0.000 0.225 489 R C 2.659 178.833 176.300 -0.208 0.000 1.155 489 R CA 1.545 57.524 56.100 -0.202 0.000 0.930 489 R CB -1.250 28.933 30.300 -0.195 0.000 0.829 489 R HN 0.026 nan 8.270 nan 0.000 0.433 490 R N -0.760 119.557 120.500 -0.306 0.000 2.081 490 R HA -0.141 4.190 4.340 -0.014 0.000 0.235 490 R C 1.162 177.095 176.300 -0.612 0.000 1.131 490 R CA 1.810 57.562 56.100 -0.581 0.000 0.960 490 R CB -0.188 29.555 30.300 -0.928 0.000 0.856 490 R HN 0.311 nan 8.270 nan 0.000 0.436 491 W N -0.562 120.690 121.300 -0.079 0.000 3.353 491 W HA 0.160 4.810 4.660 -0.015 0.000 0.304 491 W C 1.049 177.533 176.519 -0.057 0.000 1.273 491 W CA -0.687 56.610 57.345 -0.079 0.000 1.773 491 W CB 0.409 29.825 29.460 -0.072 0.000 1.095 491 W HN 0.216 nan 8.180 nan 0.000 0.676 492 L N -2.121 119.152 121.223 0.082 0.000 2.865 492 L HA 0.200 4.532 4.340 -0.014 0.000 0.167 492 L C 1.814 178.693 176.870 0.015 0.000 1.135 492 L CA 0.796 55.679 54.840 0.072 0.000 0.895 492 L CB -0.863 41.266 42.059 0.117 0.000 1.643 492 L HN -0.249 nan 8.230 nan 0.000 0.518 493 V N 1.011 120.911 119.914 -0.023 0.000 2.287 493 V HA -0.280 3.832 4.120 -0.014 0.000 0.248 493 V C 2.459 178.520 176.094 -0.055 0.000 1.053 493 V CA 2.473 64.751 62.300 -0.037 0.000 1.027 493 V CB -0.689 31.084 31.823 -0.083 0.000 0.646 493 V HN 0.509 nan 8.190 nan 0.000 0.447 494 L N 0.477 121.636 121.223 -0.107 0.000 2.005 494 L HA -0.199 4.132 4.340 -0.014 0.000 0.207 494 L C 2.483 179.281 176.870 -0.120 0.000 1.072 494 L CA 2.463 57.223 54.840 -0.133 0.000 0.744 494 L CB -0.268 41.660 42.059 -0.218 0.000 0.895 494 L HN 0.670 nan 8.230 nan 0.000 0.433 495 C N -1.951 117.272 119.300 -0.129 0.000 2.563 495 C HA 0.211 4.662 4.460 -0.014 0.000 0.268 495 C C 1.194 176.161 174.990 -0.039 0.000 1.365 495 C CA -0.285 58.674 59.018 -0.097 0.000 1.754 495 C CB -0.971 26.707 27.740 -0.103 0.000 1.932 495 C HN 0.593 nan 8.230 nan 0.000 0.536 496 N N 1.164 119.853 118.700 -0.018 0.000 2.703 496 N HA 0.287 5.018 4.740 -0.014 0.000 0.283 496 N C -1.768 173.751 175.510 0.015 0.000 1.851 496 N CA -1.618 51.435 53.050 0.005 0.000 0.826 496 N CB 0.748 39.248 38.487 0.021 0.000 1.239 496 N HN 0.236 nan 8.380 nan 0.000 0.495 497 P HA -0.042 nan 4.420 nan 0.000 0.217 497 P C 1.427 178.743 177.300 0.025 0.000 1.150 497 P CA 0.932 64.041 63.100 0.015 0.000 0.832 497 P CB 0.218 31.919 31.700 0.002 0.000 0.787 498 G N 0.737 109.548 108.800 0.017 0.000 2.446 498 G HA2 -0.265 3.687 3.960 -0.014 0.000 0.217 498 G HA3 -0.265 3.687 3.960 -0.014 0.000 0.217 498 G C 1.544 176.456 174.900 0.019 0.000 1.168 498 G CA 0.814 45.923 45.100 0.015 0.000 0.771 498 G HN 0.248 nan 8.290 nan 0.000 0.551 499 L N 1.318 122.553 121.223 0.021 0.000 2.027 499 L HA 0.220 4.551 4.340 -0.014 0.000 0.206 499 L C 3.109 180.015 176.870 0.059 0.000 1.074 499 L CA 2.088 56.941 54.840 0.023 0.000 0.745 499 L CB -0.809 41.262 42.059 0.020 0.000 0.898 499 L HN 0.242 nan 8.230 nan 0.000 0.433 500 A N -0.820 122.054 122.820 0.091 0.000 1.940 500 A HA -0.278 4.034 4.320 -0.014 0.000 0.219 500 A C 2.247 179.931 177.584 0.167 0.000 1.176 500 A CA 1.938 54.081 52.037 0.175 0.000 0.631 500 A CB -0.675 18.416 19.000 0.150 0.000 0.814 500 A HN 0.562 nan 8.150 nan 0.000 0.446 501 E N 0.541 120.799 120.200 0.097 0.000 2.046 501 E HA -0.139 4.202 4.350 -0.014 0.000 0.190 501 E C 1.854 178.497 176.600 0.071 0.000 0.982 501 E CA 1.479 57.926 56.400 0.078 0.000 0.800 501 E CB -0.503 29.224 29.700 0.046 0.000 0.756 501 E HN 0.737 nan 8.360 nan 0.000 0.449 502 I N -1.554 119.055 120.570 0.065 0.000 2.454 502 I HA -0.155 4.007 4.170 -0.014 0.000 0.254 502 I C 2.090 178.282 176.117 0.125 0.000 1.156 502 I CA 1.145 62.498 61.300 0.090 0.000 1.433 502 I CB -0.352 37.689 38.000 0.069 0.000 1.082 502 I HN 0.030 nan 8.210 nan 0.000 0.432 503 I N 1.964 122.583 120.570 0.081 0.000 2.202 503 I HA -0.183 3.978 4.170 -0.014 0.000 0.242 503 I C 3.023 179.090 176.117 -0.082 0.000 1.091 503 I CA 1.337 62.601 61.300 -0.059 0.000 1.368 503 I CB -0.538 37.309 38.000 -0.255 0.000 1.058 503 I HN 0.295 nan 8.210 nan 0.000 0.410 504 A N 0.427 123.300 122.820 0.089 0.000 1.972 504 A HA -0.231 4.080 4.320 -0.014 0.000 0.219 504 A C 2.159 179.775 177.584 0.053 0.000 1.169 504 A CA 1.635 53.772 52.037 0.167 0.000 0.635 504 A CB -0.625 18.500 19.000 0.209 0.000 0.810 504 A HN 0.451 nan 8.150 nan 0.000 0.446 505 E N -0.832 119.380 120.200 0.020 0.000 2.160 505 E HA -0.218 4.123 4.350 -0.014 0.000 0.195 505 E C 2.229 178.797 176.600 -0.052 0.000 0.991 505 E CA 1.381 57.779 56.400 -0.003 0.000 0.810 505 E CB -0.079 29.625 29.700 0.007 0.000 0.742 505 E HN 0.591 nan 8.360 nan 0.000 0.466 506 R N -0.186 120.226 120.500 -0.146 0.000 2.146 506 R HA 0.145 4.476 4.340 -0.014 0.000 0.206 506 R C 2.151 178.362 176.300 -0.148 0.000 1.049 506 R CA 0.730 56.676 56.100 -0.256 0.000 1.029 506 R CB 0.268 30.122 30.300 -0.743 0.000 0.949 506 R HN 0.220 nan 8.270 nan 0.000 0.471 507 I N -3.296 117.201 120.570 -0.122 0.000 4.081 507 I HA 0.484 4.645 4.170 -0.014 0.000 0.333 507 I C 0.396 176.549 176.117 0.059 0.000 1.413 507 I CA -0.131 61.150 61.300 -0.032 0.000 1.110 507 I CB 0.888 38.845 38.000 -0.073 0.000 1.082 507 I HN 0.166 nan 8.210 nan 0.000 0.402 508 G N 3.304 112.150 108.800 0.076 0.000 2.725 508 G HA2 -0.263 3.688 3.960 -0.014 0.000 0.220 508 G HA3 -0.263 3.688 3.960 -0.014 0.000 0.220 508 G C 0.106 175.130 174.900 0.207 0.000 1.357 508 G CA 0.216 45.381 45.100 0.109 0.000 0.866 508 G HN 0.751 nan 8.290 nan 0.000 0.548 509 E N -0.939 119.335 120.200 0.123 0.000 2.538 509 E HA 0.313 4.655 4.350 -0.014 0.000 0.207 509 E C 1.370 177.907 176.600 -0.106 0.000 1.002 509 E CA 0.486 56.900 56.400 0.022 0.000 0.952 509 E CB 0.474 30.174 29.700 -0.001 0.000 1.031 509 E HN 0.611 nan 8.360 nan 0.000 0.476 510 E N 0.670 120.883 120.200 0.023 0.000 2.204 510 E HA -0.199 4.142 4.350 -0.014 0.000 0.195 510 E C 1.306 177.893 176.600 -0.020 0.000 0.990 510 E CA 1.390 57.798 56.400 0.013 0.000 0.821 510 E CB -0.242 29.493 29.700 0.057 0.000 0.750 510 E HN 0.627 nan 8.360 nan 0.000 0.477 511 Y N -0.880 119.423 120.300 0.004 0.000 2.403 511 Y HA -0.091 4.451 4.550 -0.013 0.000 0.291 511 Y C 1.682 177.558 175.900 -0.040 0.000 1.143 511 Y CA 0.563 58.657 58.100 -0.010 0.000 1.257 511 Y CB -0.505 37.951 38.460 -0.007 0.000 0.984 511 Y HN -0.036 nan 8.280 nan 0.000 0.550 512 I N 0.847 120.961 120.570 -0.759 0.000 2.454 512 I HA -0.217 3.944 4.170 -0.014 0.000 0.254 512 I C 1.698 177.559 176.117 -0.426 0.000 1.156 512 I CA 1.741 62.630 61.300 -0.686 0.000 1.433 512 I CB -0.321 37.182 38.000 -0.829 0.000 1.082 512 I HN 0.473 nan 8.210 nan 0.000 0.432 513 S N -2.099 113.458 115.700 -0.239 0.000 2.663 513 S HA 0.182 4.644 4.470 -0.014 0.000 0.243 513 S C 0.109 174.693 174.600 -0.028 0.000 1.009 513 S CA -0.503 57.633 58.200 -0.106 0.000 0.988 513 S CB 0.281 63.485 63.200 0.006 0.000 0.896 513 S HN 0.260 nan 8.310 nan 0.000 0.502 514 D N 0.769 121.161 120.400 -0.012 0.000 2.823 514 D HA 0.248 4.880 4.640 -0.014 0.000 0.255 514 D C 0.368 176.709 176.300 0.068 0.000 1.257 514 D CA -0.395 53.621 54.000 0.028 0.000 0.803 514 D CB 0.488 41.309 40.800 0.035 0.000 1.384 514 D HN 0.116 nan 8.370 nan 0.000 0.541 515 L N 1.234 122.497 121.223 0.066 0.000 2.265 515 L HA -0.005 4.326 4.340 -0.014 0.000 0.215 515 L C 1.381 178.303 176.870 0.086 0.000 1.117 515 L CA 1.520 56.428 54.840 0.114 0.000 0.782 515 L CB -0.075 42.045 42.059 0.102 0.000 0.914 515 L HN 0.247 nan 8.230 nan 0.000 0.441 516 D N -0.666 119.761 120.400 0.046 0.000 2.265 516 D HA -0.218 4.413 4.640 -0.014 0.000 0.208 516 D C 1.924 178.244 176.300 0.034 0.000 0.977 516 D CA 0.823 54.837 54.000 0.022 0.000 0.871 516 D CB 0.036 40.837 40.800 0.001 0.000 0.925 516 D HN 0.558 nan 8.370 nan 0.000 0.485 517 Q N -0.127 119.710 119.800 0.063 0.000 2.364 517 Q HA -0.025 4.307 4.340 -0.014 0.000 0.207 517 Q C 2.239 178.255 176.000 0.027 0.000 0.970 517 Q CA 0.212 56.052 55.803 0.062 0.000 0.888 517 Q CB 0.055 28.859 28.738 0.110 0.000 0.951 517 Q HN 0.387 nan 8.270 nan 0.000 0.469 518 L N 0.169 121.401 121.223 0.015 0.000 2.353 518 L HA -0.182 4.150 4.340 -0.014 0.000 0.220 518 L C 2.245 179.107 176.870 -0.014 0.000 1.133 518 L CA 0.840 55.653 54.840 -0.045 0.000 0.798 518 L CB -0.344 41.699 42.059 -0.027 0.000 0.922 518 L HN 0.209 nan 8.230 nan 0.000 0.445 519 R N 0.383 120.887 120.500 0.007 0.000 2.159 519 R HA -0.188 4.143 4.340 -0.014 0.000 0.237 519 R C 2.112 178.420 176.300 0.013 0.000 1.131 519 R CA 1.135 57.242 56.100 0.012 0.000 0.982 519 R CB -0.217 30.088 30.300 0.008 0.000 0.868 519 R HN 0.396 nan 8.270 nan 0.000 0.453 520 K N 0.575 120.981 120.400 0.011 0.000 2.281 520 K HA -0.125 4.186 4.320 -0.014 0.000 0.203 520 K C 1.869 178.514 176.600 0.075 0.000 1.046 520 K CA 0.958 57.262 56.287 0.030 0.000 0.938 520 K CB -0.111 32.407 32.500 0.031 0.000 0.737 520 K HN 0.220 nan 8.250 nan 0.000 0.458 521 L N 0.504 121.746 121.223 0.031 0.000 2.362 521 L HA -0.144 4.188 4.340 -0.014 0.000 0.219 521 L C 1.844 178.788 176.870 0.122 0.000 1.134 521 L CA 0.085 54.952 54.840 0.045 0.000 0.807 521 L CB -0.270 41.770 42.059 -0.033 0.000 0.927 521 L HN 0.138 nan 8.230 nan 0.000 0.447 522 L N 0.108 121.373 121.223 0.071 0.000 2.127 522 L HA -0.188 4.143 4.340 -0.014 0.000 0.211 522 L C 2.651 179.526 176.870 0.009 0.000 1.089 522 L CA 1.938 56.807 54.840 0.048 0.000 0.757 522 L CB -1.017 41.054 42.059 0.021 0.000 0.899 522 L HN 0.365 nan 8.230 nan 0.000 0.434 523 S N -2.814 112.856 115.700 -0.050 0.000 2.660 523 S HA -0.049 4.412 4.470 -0.014 0.000 0.223 523 S C 1.175 175.532 174.600 -0.404 0.000 0.963 523 S CA 0.125 58.198 58.200 -0.212 0.000 0.932 523 S CB -0.518 62.518 63.200 -0.273 0.000 0.775 523 S HN 0.457 nan 8.310 nan 0.000 0.531 524 Y N -0.678 119.565 120.300 -0.094 0.000 2.500 524 Y HA 0.413 4.961 4.550 -0.003 0.000 0.246 524 Y C 1.944 177.889 175.900 0.075 0.000 1.146 524 Y CA -0.534 57.511 58.100 -0.091 0.000 1.230 524 Y CB 0.246 38.460 38.460 -0.410 0.000 1.214 524 Y HN 0.267 nan 8.280 nan 0.000 0.526 525 V N 0.480 120.494 119.914 0.167 0.000 2.720 525 V HA -0.223 3.888 4.120 -0.014 0.000 0.256 525 V C 0.978 177.143 176.094 0.118 0.000 1.082 525 V CA 2.263 64.657 62.300 0.157 0.000 1.101 525 V CB -0.039 31.838 31.823 0.091 0.000 0.693 525 V HN 0.354 nan 8.190 nan 0.000 0.479 526 D N -0.834 119.614 120.400 0.080 0.000 2.369 526 D HA 0.097 4.729 4.640 -0.014 0.000 0.211 526 D C 0.491 176.836 176.300 0.075 0.000 1.077 526 D CA 0.019 54.053 54.000 0.057 0.000 0.842 526 D CB 0.089 40.899 40.800 0.017 0.000 0.947 526 D HN 0.450 nan 8.370 nan 0.000 0.509 527 D N 1.453 121.932 120.400 0.131 0.000 2.339 527 D HA -0.025 4.606 4.640 -0.014 0.000 0.256 527 D C 1.060 177.467 176.300 0.179 0.000 1.214 527 D CA 0.022 54.120 54.000 0.164 0.000 0.877 527 D CB 1.628 42.593 40.800 0.275 0.000 1.111 527 D HN -0.177 nan 8.370 nan 0.000 0.478 528 E N 3.098 123.367 120.200 0.115 0.000 2.150 528 E HA -0.111 4.230 4.350 -0.014 0.000 0.193 528 E C 1.744 178.401 176.600 0.094 0.000 0.985 528 E CA 1.224 57.676 56.400 0.087 0.000 0.814 528 E CB 0.051 29.784 29.700 0.055 0.000 0.752 528 E HN 0.592 nan 8.360 nan 0.000 0.466 529 A N -0.194 122.698 122.820 0.121 0.000 1.873 529 A HA -0.137 4.174 4.320 -0.014 0.000 0.215 529 A C 2.179 179.855 177.584 0.153 0.000 1.186 529 A CA 1.250 53.357 52.037 0.116 0.000 0.616 529 A CB -0.962 18.109 19.000 0.119 0.000 0.823 529 A HN 0.446 nan 8.150 nan 0.000 0.442 530 F N 0.488 120.464 119.950 0.043 0.000 2.102 530 F HA -0.185 4.334 4.527 -0.013 0.000 0.298 530 F C 2.057 177.869 175.800 0.019 0.000 1.105 530 F CA 1.687 59.697 58.000 0.017 0.000 1.239 530 F CB -0.132 38.892 39.000 0.041 0.000 0.991 530 F HN 0.174 nan 8.300 nan 0.000 0.474 531 I N 0.174 120.771 120.570 0.044 0.000 2.151 531 I HA -0.381 3.780 4.170 -0.014 0.000 0.243 531 I C 2.623 178.685 176.117 -0.091 0.000 1.080 531 I CA 1.779 63.050 61.300 -0.048 0.000 1.339 531 I CB -0.576 37.444 38.000 0.034 0.000 1.039 531 I HN 0.108 nan 8.210 nan 0.000 0.409 532 R N 0.837 121.312 120.500 -0.042 0.000 2.091 532 R HA -0.210 4.122 4.340 -0.014 0.000 0.238 532 R C 1.913 178.166 176.300 -0.079 0.000 1.136 532 R CA 2.099 58.172 56.100 -0.044 0.000 0.959 532 R CB -0.170 30.123 30.300 -0.010 0.000 0.856 532 R HN 0.304 nan 8.270 nan 0.000 0.437 533 D N -0.287 120.050 120.400 -0.105 0.000 2.117 533 D HA -0.117 4.514 4.640 -0.014 0.000 0.198 533 D C 1.963 178.143 176.300 -0.201 0.000 0.982 533 D CA 1.161 55.087 54.000 -0.124 0.000 0.828 533 D CB -0.195 40.553 40.800 -0.086 0.000 0.967 533 D HN 0.077 nan 8.370 nan 0.000 0.464 534 V N 1.459 121.156 119.914 -0.362 0.000 2.287 534 V HA -0.266 3.845 4.120 -0.014 0.000 0.248 534 V C 2.525 178.525 176.094 -0.157 0.000 1.053 534 V CA 1.985 64.080 62.300 -0.341 0.000 1.027 534 V CB -0.833 30.700 31.823 -0.484 0.000 0.646 534 V HN 0.195 nan 8.190 nan 0.000 0.447 535 A N -0.506 122.243 122.820 -0.119 0.000 1.933 535 A HA -0.268 4.043 4.320 -0.014 0.000 0.218 535 A C 2.341 179.889 177.584 -0.060 0.000 1.175 535 A CA 2.188 54.189 52.037 -0.061 0.000 0.628 535 A CB -0.491 18.477 19.000 -0.053 0.000 0.814 535 A HN 0.546 nan 8.150 nan 0.000 0.444 536 K N -0.307 120.053 120.400 -0.066 0.000 2.026 536 K HA -0.096 4.215 4.320 -0.014 0.000 0.208 536 K C 1.820 178.395 176.600 -0.042 0.000 1.048 536 K CA 1.627 57.883 56.287 -0.050 0.000 0.929 536 K CB -0.280 32.194 32.500 -0.044 0.000 0.713 536 K HN 0.215 nan 8.250 nan 0.000 0.439 537 V N 1.652 121.536 119.914 -0.050 0.000 2.343 537 V HA -0.247 3.865 4.120 -0.014 0.000 0.247 537 V C 2.366 178.447 176.094 -0.022 0.000 1.051 537 V CA 2.003 64.283 62.300 -0.034 0.000 1.036 537 V CB -0.477 31.321 31.823 -0.042 0.000 0.654 537 V HN 0.362 nan 8.190 nan 0.000 0.451 538 K N 0.399 120.784 120.400 -0.026 0.000 2.032 538 K HA -0.242 4.069 4.320 -0.014 0.000 0.209 538 K C 2.176 178.751 176.600 -0.041 0.000 1.048 538 K CA 1.842 58.120 56.287 -0.014 0.000 0.927 538 K CB -0.556 31.950 32.500 0.011 0.000 0.712 538 K HN 0.358 nan 8.250 nan 0.000 0.441 539 Q N 1.002 120.771 119.800 -0.052 0.000 2.096 539 Q HA -0.140 4.191 4.340 -0.014 0.000 0.204 539 Q C 1.738 177.717 176.000 -0.034 0.000 0.982 539 Q CA 2.117 57.881 55.803 -0.065 0.000 0.850 539 Q CB -0.131 28.572 28.738 -0.058 0.000 0.901 539 Q HN 0.521 nan 8.270 nan 0.000 0.422 540 E N -0.540 119.652 120.200 -0.013 0.000 2.077 540 E HA -0.169 4.172 4.350 -0.014 0.000 0.193 540 E C 1.749 178.371 176.600 0.037 0.000 0.989 540 E CA 1.008 57.415 56.400 0.011 0.000 0.800 540 E CB -0.110 29.595 29.700 0.008 0.000 0.746 540 E HN 0.397 nan 8.360 nan 0.000 0.452 541 N N 1.046 119.765 118.700 0.032 0.000 2.142 541 N HA -0.123 4.609 4.740 -0.014 0.000 0.186 541 N C 1.538 177.124 175.510 0.127 0.000 1.023 541 N CA 1.039 54.129 53.050 0.067 0.000 0.852 541 N CB -0.095 38.416 38.487 0.040 0.000 0.998 541 N HN 0.138 nan 8.380 nan 0.000 0.424 542 K N 0.586 121.021 120.400 0.058 0.000 2.097 542 K HA 0.013 4.324 4.320 -0.014 0.000 0.205 542 K C 2.105 178.821 176.600 0.194 0.000 1.050 542 K CA 0.628 56.955 56.287 0.067 0.000 0.938 542 K CB -0.129 32.137 32.500 -0.391 0.000 0.718 542 K HN 0.105 nan 8.250 nan 0.000 0.442 543 L N 1.146 122.432 121.223 0.105 0.000 2.027 543 L HA -0.193 4.139 4.340 -0.014 0.000 0.206 543 L C 2.603 179.568 176.870 0.158 0.000 1.074 543 L CA 1.309 56.220 54.840 0.119 0.000 0.745 543 L CB -0.331 41.767 42.059 0.065 0.000 0.898 543 L HN 0.147 nan 8.230 nan 0.000 0.433 544 K N -0.285 120.211 120.400 0.160 0.000 2.032 544 K HA -0.258 4.053 4.320 -0.014 0.000 0.209 544 K C 2.162 178.920 176.600 0.263 0.000 1.048 544 K CA 1.809 58.203 56.287 0.177 0.000 0.927 544 K CB -0.199 32.390 32.500 0.149 0.000 0.712 544 K HN 0.084 nan 8.250 nan 0.000 0.441 545 F N 0.912 120.968 119.950 0.178 0.000 2.206 545 F HA -0.015 4.503 4.527 -0.014 0.000 0.298 545 F C 1.992 177.954 175.800 0.269 0.000 1.090 545 F CA 1.108 59.246 58.000 0.230 0.000 1.323 545 F CB -0.385 38.755 39.000 0.234 0.000 1.028 545 F HN 0.085 nan 8.300 nan 0.000 0.492 546 A N 0.138 123.121 122.820 0.272 0.000 1.933 546 A HA -0.074 4.237 4.320 -0.014 0.000 0.218 546 A C 2.384 180.001 177.584 0.055 0.000 1.175 546 A CA 1.748 53.878 52.037 0.154 0.000 0.628 546 A CB -1.417 17.734 19.000 0.252 0.000 0.814 546 A HN 0.436 nan 8.150 nan 0.000 0.444 547 A N -1.615 121.258 122.820 0.088 0.000 1.897 547 A HA -0.032 4.279 4.320 -0.014 0.000 0.215 547 A C 2.108 179.714 177.584 0.035 0.000 1.181 547 A CA 1.430 53.505 52.037 0.063 0.000 0.620 547 A CB -0.791 18.261 19.000 0.086 0.000 0.821 547 A HN 0.729 nan 8.150 nan 0.000 0.443 548 Y N 0.564 120.818 120.300 -0.076 0.000 2.165 548 Y HA -0.204 4.338 4.550 -0.014 0.000 0.286 548 Y C 1.941 177.761 175.900 -0.134 0.000 1.155 548 Y CA 1.936 59.974 58.100 -0.103 0.000 1.164 548 Y CB -0.240 38.151 38.460 -0.115 0.000 0.978 548 Y HN 0.217 nan 8.280 nan 0.000 0.513 549 L N 0.048 121.112 121.223 -0.265 0.000 2.017 549 L HA -0.223 4.109 4.340 -0.014 0.000 0.208 549 L C 2.494 179.268 176.870 -0.160 0.000 1.073 549 L CA 1.780 56.464 54.840 -0.259 0.000 0.745 549 L CB -0.548 41.343 42.059 -0.280 0.000 0.894 549 L HN 0.323 nan 8.230 nan 0.000 0.432 550 E N -0.194 119.937 120.200 -0.116 0.000 2.031 550 E HA -0.229 4.112 4.350 -0.014 0.000 0.193 550 E C 2.362 178.896 176.600 -0.109 0.000 0.994 550 E CA 1.148 57.501 56.400 -0.079 0.000 0.800 550 E CB -0.033 29.654 29.700 -0.022 0.000 0.752 550 E HN 0.392 nan 8.360 nan 0.000 0.447 551 R N 0.520 120.939 120.500 -0.134 0.000 2.081 551 R HA -0.109 4.222 4.340 -0.014 0.000 0.235 551 R C 1.767 177.931 176.300 -0.225 0.000 1.131 551 R CA 1.237 57.252 56.100 -0.143 0.000 0.960 551 R CB 0.031 30.267 30.300 -0.108 0.000 0.856 551 R HN 0.185 nan 8.270 nan 0.000 0.436 552 E N -1.599 118.373 120.200 -0.381 0.000 2.498 552 E HA 0.021 4.363 4.350 -0.014 0.000 0.203 552 E C -0.030 176.120 176.600 -0.750 0.000 1.013 552 E CA 0.263 56.333 56.400 -0.551 0.000 0.927 552 E CB 0.826 30.091 29.700 -0.725 0.000 1.012 552 E HN 0.387 nan 8.360 nan 0.000 0.482 553 Y N -0.072 120.077 120.300 -0.253 0.000 2.729 553 Y HA 0.124 4.665 4.550 -0.015 0.000 0.266 553 Y C 0.035 175.845 175.900 -0.151 0.000 1.064 553 Y CA -0.653 57.342 58.100 -0.174 0.000 1.251 553 Y CB 0.830 39.185 38.460 -0.174 0.000 1.379 553 Y HN -0.216 nan 8.280 nan 0.000 0.569 554 K N 0.006 120.373 120.400 -0.055 0.000 2.975 554 K HA -0.160 4.152 4.320 -0.014 0.000 0.257 554 K C -0.308 176.197 176.600 -0.158 0.000 1.005 554 K CA 0.953 57.191 56.287 -0.082 0.000 0.738 554 K CB -2.598 29.865 32.500 -0.063 0.000 1.236 554 K HN 0.278 nan 8.250 nan 0.000 0.483 555 V N -0.806 119.015 119.914 -0.155 0.000 2.435 555 V HA 0.648 4.760 4.120 -0.014 0.000 0.290 555 V C 0.152 176.124 176.094 -0.203 0.000 1.030 555 V CA -1.004 61.132 62.300 -0.273 0.000 0.881 555 V CB 1.505 33.229 31.823 -0.166 0.000 0.983 555 V HN 0.347 nan 8.190 nan 0.000 0.445 556 H N 4.517 123.572 119.070 -0.026 0.000 2.459 556 H HA 0.861 5.409 4.556 -0.015 0.000 0.332 556 H C -0.425 174.889 175.328 -0.024 0.000 1.094 556 H CA -1.599 54.437 56.048 -0.019 0.000 1.224 556 H CB 1.308 31.066 29.762 -0.007 0.000 1.449 556 H HN 0.971 nan 8.280 nan 0.000 0.484 557 I N -0.507 120.151 120.570 0.147 0.000 2.865 557 I HA 0.464 4.625 4.170 -0.014 0.000 0.302 557 I C -0.657 175.537 176.117 0.129 0.000 1.140 557 I CA -1.334 60.026 61.300 0.100 0.000 1.021 557 I CB 2.437 40.454 38.000 0.029 0.000 1.233 557 I HN 0.424 nan 8.210 nan 0.000 0.427 558 N N 5.096 123.870 118.700 0.123 0.000 2.405 558 N HA 0.343 5.074 4.740 -0.014 0.000 0.260 558 N C -1.953 173.701 175.510 0.239 0.000 1.152 558 N CA -2.223 50.908 53.050 0.134 0.000 0.948 558 N CB 0.863 39.400 38.487 0.082 0.000 1.111 558 N HN 0.402 nan 8.380 nan 0.000 0.485 559 P HA 0.080 nan 4.420 nan 0.000 0.242 559 P C -0.138 177.152 177.300 -0.016 0.000 1.197 559 P CA 0.782 63.971 63.100 0.148 0.000 0.765 559 P CB 0.220 31.981 31.700 0.102 0.000 0.936 560 N N -0.963 117.760 118.700 0.039 0.000 2.422 560 N HA -0.013 4.718 4.740 -0.014 0.000 0.181 560 N C 0.501 176.044 175.510 0.056 0.000 1.080 560 N CA -0.011 53.051 53.050 0.021 0.000 0.893 560 N CB -0.034 38.474 38.487 0.034 0.000 0.973 560 N HN 0.130 nan 8.380 nan 0.000 0.456 561 S N 0.256 116.005 115.700 0.082 0.000 2.600 561 S HA 0.148 4.609 4.470 -0.014 0.000 0.265 561 S C 0.103 174.677 174.600 -0.043 0.000 1.325 561 S CA -0.876 57.358 58.200 0.056 0.000 1.002 561 S CB 0.918 64.182 63.200 0.106 0.000 0.921 561 S HN 0.192 nan 8.310 nan 0.000 0.554 562 L N 2.002 123.034 121.223 -0.318 0.000 2.418 562 L HA 0.355 4.686 4.340 -0.014 0.000 0.274 562 L C -0.865 175.982 176.870 -0.039 0.000 1.135 562 L CA -0.508 53.953 54.840 -0.631 0.000 0.870 562 L CB -0.199 41.217 42.059 -1.072 0.000 1.154 562 L HN 0.700 nan 8.230 nan 0.000 0.462 563 F N 4.250 124.064 119.950 -0.228 0.000 2.405 563 F HA 0.106 4.626 4.527 -0.013 0.000 0.358 563 F C 0.385 176.116 175.800 -0.115 0.000 1.151 563 F CA -0.798 57.139 58.000 -0.105 0.000 1.161 563 F CB 0.613 39.601 39.000 -0.019 0.000 1.245 563 F HN 0.516 nan 8.300 nan 0.000 0.545 564 D N 4.827 125.226 120.400 -0.002 0.000 2.412 564 D HA 0.331 4.963 4.640 -0.014 0.000 0.224 564 D C -1.055 175.183 176.300 -0.102 0.000 1.093 564 D CA -0.202 53.752 54.000 -0.076 0.000 0.850 564 D CB 1.408 42.147 40.800 -0.101 0.000 1.046 564 D HN 0.110 nan 8.370 nan 0.000 0.507 565 V N 4.511 124.343 119.914 -0.135 0.000 2.487 565 V HA 0.382 4.493 4.120 -0.014 0.000 0.298 565 V C -0.218 175.722 176.094 -0.256 0.000 1.028 565 V CA -0.825 61.380 62.300 -0.157 0.000 0.860 565 V CB 1.707 33.508 31.823 -0.035 0.000 0.991 565 V HN 0.518 nan 8.190 nan 0.000 0.427 566 Q N 3.878 123.548 119.800 -0.217 0.000 2.394 566 Q HA 0.646 4.977 4.340 -0.014 0.000 0.261 566 Q C -1.353 174.484 176.000 -0.272 0.000 1.023 566 Q CA -0.458 55.204 55.803 -0.235 0.000 0.720 566 Q CB 1.907 30.536 28.738 -0.183 0.000 1.241 566 Q HN 0.800 nan 8.270 nan 0.000 0.483 567 V N 1.841 121.578 119.914 -0.294 0.000 2.487 567 V HA 0.868 4.980 4.120 -0.014 0.000 0.298 567 V C -0.912 174.895 176.094 -0.479 0.000 1.028 567 V CA -0.571 61.370 62.300 -0.599 0.000 0.860 567 V CB 1.316 32.553 31.823 -0.977 0.000 0.991 567 V HN 0.815 nan 8.190 nan 0.000 0.427 568 K N 2.501 122.656 120.400 -0.409 0.000 3.191 568 K HA 0.355 4.667 4.320 -0.014 0.000 0.325 568 K C -1.323 175.269 176.600 -0.013 0.000 1.105 568 K CA -1.118 55.122 56.287 -0.079 0.000 0.843 568 K CB 0.838 33.288 32.500 -0.082 0.000 1.452 568 K HN 0.496 nan 8.250 nan 0.000 0.393 569 R N 0.919 121.464 120.500 0.075 0.000 2.698 569 R HA 0.175 4.507 4.340 -0.014 0.000 0.266 569 R C 0.397 176.716 176.300 0.032 0.000 1.026 569 R CA -0.274 55.884 56.100 0.096 0.000 1.102 569 R CB -0.115 30.268 30.300 0.138 0.000 0.978 569 R HN 0.470 nan 8.270 nan 0.000 0.436 570 I N 3.967 124.568 120.570 0.051 0.000 2.379 570 I HA 0.115 4.276 4.170 -0.014 0.000 0.290 570 I C 0.714 176.813 176.117 -0.031 0.000 1.063 570 I CA 0.447 61.730 61.300 -0.028 0.000 1.351 570 I CB -0.171 37.801 38.000 -0.046 0.000 1.410 570 I HN 0.346 nan 8.210 nan 0.000 0.505 571 H N 5.203 124.163 119.070 -0.183 0.000 2.996 571 H HA 0.231 4.778 4.556 -0.014 0.000 0.368 571 H C 0.408 175.606 175.328 -0.217 0.000 1.185 571 H CA -0.375 55.605 56.048 -0.113 0.000 1.160 571 H CB 1.958 31.665 29.762 -0.092 0.000 1.820 571 H HN 0.584 nan 8.280 nan 0.000 0.547 572 E N 1.981 122.190 120.200 0.014 0.000 2.118 572 E HA -0.252 4.090 4.350 -0.014 0.000 0.195 572 E C 1.395 177.827 176.600 -0.280 0.000 0.992 572 E CA 1.929 58.332 56.400 0.005 0.000 0.804 572 E CB -0.093 29.750 29.700 0.238 0.000 0.741 572 E HN 0.592 nan 8.360 nan 0.000 0.458 573 Y N 0.894 120.839 120.300 -0.592 0.000 2.352 573 Y HA -0.057 4.484 4.550 -0.015 0.000 0.292 573 Y C 1.532 177.188 175.900 -0.407 0.000 1.136 573 Y CA 0.947 58.413 58.100 -1.055 0.000 1.227 573 Y CB -0.147 37.659 38.460 -1.090 0.000 0.991 573 Y HN -0.202 nan 8.280 nan 0.000 0.545 574 K N 0.649 120.594 120.400 -0.759 0.000 2.366 574 K HA 0.054 4.365 4.320 -0.014 0.000 0.198 574 K C 0.203 176.639 176.600 -0.272 0.000 1.044 574 K CA 0.630 56.592 56.287 -0.541 0.000 0.973 574 K CB -0.053 32.109 32.500 -0.563 0.000 0.767 574 K HN 0.258 nan 8.250 nan 0.000 0.475 575 R N 0.273 120.644 120.500 -0.216 0.000 3.422 575 R HA -0.233 4.098 4.340 -0.014 0.000 0.267 575 R C 0.311 176.534 176.300 -0.128 0.000 1.074 575 R CA 0.280 56.301 56.100 -0.131 0.000 0.718 575 R CB -2.010 28.230 30.300 -0.100 0.000 1.157 575 R HN 0.301 nan 8.270 nan 0.000 0.440 576 Q N 0.372 120.093 119.800 -0.131 0.000 2.248 576 Q HA -0.110 4.221 4.340 -0.014 0.000 0.208 576 Q C 2.038 177.990 176.000 -0.080 0.000 0.984 576 Q CA 1.663 57.403 55.803 -0.104 0.000 0.875 576 Q CB -0.047 28.633 28.738 -0.097 0.000 0.910 576 Q HN 0.588 nan 8.270 nan 0.000 0.433 577 L N -0.682 120.496 121.223 -0.074 0.000 2.083 577 L HA -0.179 4.153 4.340 -0.014 0.000 0.209 577 L C 2.028 178.899 176.870 0.001 0.000 1.083 577 L CA 0.528 55.340 54.840 -0.048 0.000 0.752 577 L CB -0.344 41.697 42.059 -0.030 0.000 0.899 577 L HN 0.309 nan 8.230 nan 0.000 0.433 578 L N 0.107 121.324 121.223 -0.011 0.000 2.046 578 L HA -0.256 4.075 4.340 -0.014 0.000 0.208 578 L C 2.042 178.959 176.870 0.078 0.000 1.077 578 L CA 1.960 56.803 54.840 0.005 0.000 0.747 578 L CB -0.863 41.090 42.059 -0.178 0.000 0.896 578 L HN 0.295 nan 8.230 nan 0.000 0.432 579 N N -1.634 117.077 118.700 0.019 0.000 2.069 579 N HA -0.248 4.483 4.740 -0.014 0.000 0.191 579 N C 1.967 177.560 175.510 0.137 0.000 1.031 579 N CA 1.742 54.886 53.050 0.156 0.000 0.852 579 N CB -0.165 38.344 38.487 0.037 0.000 1.018 579 N HN 0.501 nan 8.380 nan 0.000 0.423 580 C N 0.583 119.899 119.300 0.026 0.000 2.401 580 C HA -0.106 4.345 4.460 -0.014 0.000 0.276 580 C C 2.593 177.574 174.990 -0.015 0.000 1.233 580 C CA 0.465 59.453 59.018 -0.050 0.000 1.753 580 C CB -1.291 26.368 27.740 -0.136 0.000 2.029 580 C HN 0.506 nan 8.230 nan 0.000 0.478 581 L N -0.528 120.749 121.223 0.089 0.000 2.083 581 L HA -0.183 4.149 4.340 -0.014 0.000 0.209 581 L C 2.761 179.781 176.870 0.251 0.000 1.083 581 L CA 1.732 56.671 54.840 0.165 0.000 0.752 581 L CB -1.041 41.182 42.059 0.274 0.000 0.899 581 L HN 0.582 nan 8.230 nan 0.000 0.433 582 H N -0.000 119.180 119.070 0.184 0.000 2.321 582 H HA -0.137 4.410 4.556 -0.014 0.000 0.300 582 H C 2.250 177.571 175.328 -0.012 0.000 1.087 582 H CA 1.890 57.964 56.048 0.043 0.000 1.319 582 H CB 0.318 30.028 29.762 -0.087 0.000 1.379 582 H HN 0.087 nan 8.280 nan 0.000 0.501 583 V N 1.611 121.451 119.914 -0.123 0.000 2.287 583 V HA -0.288 3.823 4.120 -0.014 0.000 0.248 583 V C 2.828 178.854 176.094 -0.112 0.000 1.053 583 V CA 1.998 64.191 62.300 -0.179 0.000 1.027 583 V CB -0.515 31.247 31.823 -0.102 0.000 0.646 583 V HN 0.395 nan 8.190 nan 0.000 0.447 584 I N -0.346 120.191 120.570 -0.054 0.000 2.315 584 I HA -0.208 3.953 4.170 -0.014 0.000 0.248 584 I C 2.506 178.672 176.117 0.083 0.000 1.117 584 I CA 1.646 62.979 61.300 0.055 0.000 1.404 584 I CB -0.764 37.240 38.000 0.006 0.000 1.071 584 I HN 0.316 nan 8.210 nan 0.000 0.419 585 T N 1.566 116.129 114.554 0.015 0.000 2.665 585 T HA -0.174 4.167 4.350 -0.014 0.000 0.268 585 T C 1.972 176.624 174.700 -0.081 0.000 1.035 585 T CA 1.404 63.502 62.100 -0.002 0.000 1.151 585 T CB -0.335 68.557 68.868 0.040 0.000 0.862 585 T HN 0.260 nan 8.240 nan 0.000 0.438 586 L N -0.592 120.516 121.223 -0.191 0.000 2.056 586 L HA -0.073 4.259 4.340 -0.014 0.000 0.207 586 L C 2.366 179.196 176.870 -0.067 0.000 1.078 586 L CA 1.516 56.242 54.840 -0.191 0.000 0.749 586 L CB -0.545 41.330 42.059 -0.306 0.000 0.901 586 L HN 0.319 nan 8.230 nan 0.000 0.433 587 Y N 1.250 121.485 120.300 -0.110 0.000 2.128 587 Y HA -0.293 4.248 4.550 -0.015 0.000 0.284 587 Y C 2.508 178.386 175.900 -0.037 0.000 1.154 587 Y CA 1.828 59.903 58.100 -0.043 0.000 1.149 587 Y CB -0.066 38.413 38.460 0.031 0.000 0.976 587 Y HN 0.227 nan 8.280 nan 0.000 0.505 588 N N 0.411 119.062 118.700 -0.082 0.000 2.166 588 N HA -0.140 4.591 4.740 -0.014 0.000 0.186 588 N C 1.825 177.223 175.510 -0.186 0.000 1.019 588 N CA 1.526 54.467 53.050 -0.182 0.000 0.856 588 N CB -0.368 38.073 38.487 -0.078 0.000 0.993 588 N HN 0.445 nan 8.380 nan 0.000 0.426 589 R N 0.461 120.879 120.500 -0.137 0.000 2.081 589 R HA 0.055 4.386 4.340 -0.014 0.000 0.235 589 R C 2.267 178.482 176.300 -0.141 0.000 1.131 589 R CA 0.821 56.849 56.100 -0.120 0.000 0.960 589 R CB -0.335 29.906 30.300 -0.099 0.000 0.856 589 R HN 0.227 nan 8.270 nan 0.000 0.436 590 I N 1.079 121.547 120.570 -0.169 0.000 2.163 590 I HA -0.302 3.859 4.170 -0.014 0.000 0.243 590 I C 2.206 178.206 176.117 -0.196 0.000 1.085 590 I CA 1.312 62.511 61.300 -0.169 0.000 1.347 590 I CB -0.227 37.676 38.000 -0.161 0.000 1.044 590 I HN 0.046 nan 8.210 nan 0.000 0.408 591 K N 0.773 120.990 120.400 -0.304 0.000 2.147 591 K HA -0.205 4.107 4.320 -0.014 0.000 0.205 591 K C 2.027 178.525 176.600 -0.170 0.000 1.049 591 K CA 1.209 57.328 56.287 -0.279 0.000 0.936 591 K CB -0.292 31.956 32.500 -0.421 0.000 0.722 591 K HN 0.330 nan 8.250 nan 0.000 0.446 592 K N 1.135 121.443 120.400 -0.153 0.000 2.062 592 K HA -0.084 4.228 4.320 -0.014 0.000 0.205 592 K C 0.042 176.595 176.600 -0.080 0.000 1.051 592 K CA 1.083 57.308 56.287 -0.104 0.000 0.941 592 K CB 0.339 32.782 32.500 -0.095 0.000 0.719 592 K HN 0.069 nan 8.250 nan 0.000 0.440 593 E N 0.249 120.401 120.200 -0.081 0.000 3.037 593 E HA 0.120 4.461 4.350 -0.014 0.000 0.220 593 E C -2.327 174.237 176.600 -0.059 0.000 1.142 593 E CA -1.665 54.700 56.400 -0.058 0.000 0.888 593 E CB 1.702 31.375 29.700 -0.045 0.000 1.329 593 E HN 0.141 nan 8.360 nan 0.000 0.409 594 P HA -0.129 nan 4.420 nan 0.000 0.220 594 P C 0.219 177.498 177.300 -0.035 0.000 1.148 594 P CA 1.173 64.239 63.100 -0.057 0.000 0.803 594 P CB 0.190 31.861 31.700 -0.048 0.000 0.782 595 N N -1.059 117.629 118.700 -0.020 0.000 2.235 595 N HA 0.039 4.770 4.740 -0.014 0.000 0.209 595 N C 0.128 175.650 175.510 0.020 0.000 1.122 595 N CA -0.240 52.811 53.050 0.001 0.000 0.845 595 N CB -0.065 38.424 38.487 0.002 0.000 1.004 595 N HN 0.289 nan 8.380 nan 0.000 0.499 596 K N 0.250 120.657 120.400 0.011 0.000 2.118 596 K HA 0.206 4.517 4.320 -0.014 0.000 0.264 596 K C -0.714 175.927 176.600 0.067 0.000 1.000 596 K CA -0.732 55.580 56.287 0.041 0.000 0.929 596 K CB 0.946 33.456 32.500 0.017 0.000 1.021 596 K HN -0.144 nan 8.250 nan 0.000 0.463 597 F N 2.825 122.762 119.950 -0.022 0.000 2.456 597 F HA 0.280 4.798 4.527 -0.014 0.000 0.358 597 F C -0.450 175.335 175.800 -0.024 0.000 1.095 597 F CA -0.295 57.693 58.000 -0.020 0.000 1.216 597 F CB 0.844 39.835 39.000 -0.015 0.000 1.125 597 F HN 0.398 nan 8.300 nan 0.000 0.549 598 V N 4.360 123.772 119.914 -0.836 0.000 2.823 598 V HA 0.576 4.688 4.120 -0.014 0.000 0.312 598 V C -0.741 174.744 176.094 -1.015 0.000 1.072 598 V CA -1.176 60.724 62.300 -0.665 0.000 0.937 598 V CB 1.075 32.693 31.823 -0.342 0.000 1.013 598 V HN 0.570 nan 8.190 nan 0.000 0.430 599 V N 4.885 124.481 119.914 -0.530 0.000 2.485 599 V HA 0.207 4.318 4.120 -0.014 0.000 0.287 599 V C -1.830 174.098 176.094 -0.277 0.000 1.022 599 V CA -0.501 61.619 62.300 -0.300 0.000 1.067 599 V CB 0.380 32.164 31.823 -0.064 0.000 0.967 599 V HN 0.913 nan 8.190 nan 0.000 0.479 600 P HA 0.349 nan 4.420 nan 0.000 0.271 600 P C -0.441 176.771 177.300 -0.147 0.000 1.216 600 P CA -0.153 62.853 63.100 -0.157 0.000 0.776 600 P CB 0.577 32.229 31.700 -0.079 0.000 0.881 601 R N 0.966 121.392 120.500 -0.124 0.000 2.686 601 R HA 0.547 4.878 4.340 -0.014 0.000 0.283 601 R C -0.758 175.503 176.300 -0.065 0.000 0.978 601 R CA -0.617 55.414 56.100 -0.115 0.000 0.897 601 R CB 1.957 32.175 30.300 -0.136 0.000 1.192 601 R HN 0.318 nan 8.270 nan 0.000 0.457 602 T N 2.164 116.694 114.554 -0.040 0.000 2.788 602 T HA 0.241 4.583 4.350 -0.014 0.000 0.296 602 T C -0.260 174.352 174.700 -0.145 0.000 1.009 602 T CA -0.481 61.551 62.100 -0.112 0.000 0.949 602 T CB 1.136 69.864 68.868 -0.233 0.000 0.946 602 T HN 0.134 nan 8.240 nan 0.000 0.453 603 V N 5.896 125.735 119.914 -0.126 0.000 2.364 603 V HA 0.419 4.531 4.120 -0.014 0.000 0.272 603 V C 0.050 176.067 176.094 -0.129 0.000 1.036 603 V CA -0.420 61.812 62.300 -0.113 0.000 0.880 603 V CB 0.671 32.444 31.823 -0.084 0.000 0.991 603 V HN 0.859 nan 8.190 nan 0.000 0.460 604 M N 6.677 126.190 119.600 -0.145 0.000 2.243 604 M HA 0.616 5.088 4.480 -0.014 0.000 0.324 604 M C -1.011 175.183 176.300 -0.177 0.000 1.031 604 M CA -0.174 55.031 55.300 -0.158 0.000 0.949 604 M CB 2.018 34.522 32.600 -0.159 0.000 1.615 604 M HN 0.418 nan 8.290 nan 0.000 0.430 605 I N 1.878 122.324 120.570 -0.206 0.000 2.498 605 I HA 0.838 5.000 4.170 -0.014 0.000 0.290 605 I C 0.108 175.891 176.117 -0.557 0.000 1.032 605 I CA -0.635 60.513 61.300 -0.253 0.000 1.073 605 I CB 2.265 40.209 38.000 -0.094 0.000 1.251 605 I HN 0.798 nan 8.210 nan 0.000 0.426 606 G N 2.931 111.373 108.800 -0.595 0.000 2.690 606 G HA2 0.837 4.789 3.960 -0.014 0.000 0.293 606 G HA3 0.837 4.789 3.960 -0.014 0.000 0.293 606 G C -1.024 173.585 174.900 -0.484 0.000 1.399 606 G CA -0.801 43.799 45.100 -0.833 0.000 0.890 606 G HN 0.990 nan 8.290 nan 0.000 0.485 607 G N -0.376 108.297 108.800 -0.212 0.000 2.352 607 G HA2 0.400 4.352 3.960 -0.014 0.000 0.303 607 G HA3 0.400 4.352 3.960 -0.014 0.000 0.303 607 G C -1.220 173.825 174.900 0.241 0.000 1.593 607 G CA -1.033 44.110 45.100 0.071 0.000 0.963 607 G HN 0.604 nan 8.290 nan 0.000 0.685 608 K N -0.038 120.501 120.400 0.231 0.000 2.118 608 K HA 0.743 5.054 4.320 -0.014 0.000 0.267 608 K C 0.373 177.124 176.600 0.252 0.000 0.991 608 K CA -0.093 56.352 56.287 0.263 0.000 0.916 608 K CB 1.905 34.472 32.500 0.113 0.000 1.041 608 K HN 0.874 nan 8.250 nan 0.000 0.455 609 A N 1.433 124.430 122.820 0.294 0.000 2.312 609 A HA 0.621 4.933 4.320 -0.014 0.000 0.326 609 A C -0.424 177.355 177.584 0.326 0.000 1.172 609 A CA -0.726 51.432 52.037 0.202 0.000 0.821 609 A CB 0.948 19.982 19.000 0.057 0.000 1.166 609 A HN 0.775 nan 8.150 nan 0.000 0.493 610 A N 3.613 126.620 122.820 0.311 0.000 2.540 610 A HA 0.458 4.769 4.320 -0.014 0.000 0.239 610 A C -1.408 176.291 177.584 0.192 0.000 1.061 610 A CA -0.758 51.467 52.037 0.313 0.000 0.758 610 A CB -0.351 18.830 19.000 0.302 0.000 0.991 610 A HN 0.600 nan 8.150 nan 0.000 0.502 611 P HA -0.125 nan 4.420 nan 0.000 0.217 611 P C 1.300 178.607 177.300 0.012 0.000 1.148 611 P CA 1.926 64.989 63.100 -0.062 0.000 0.828 611 P CB 0.199 31.799 31.700 -0.166 0.000 0.783 612 G N -2.846 105.989 108.800 0.059 0.000 3.141 612 G HA2 -0.077 3.875 3.960 -0.014 0.000 0.218 612 G HA3 -0.077 3.875 3.960 -0.014 0.000 0.218 612 G C -0.282 174.672 174.900 0.090 0.000 1.170 612 G CA -0.108 45.025 45.100 0.055 0.000 0.769 612 G HN 0.312 nan 8.290 nan 0.000 0.546 613 Y N 1.455 121.727 120.300 -0.047 0.000 2.676 613 Y HA 0.216 4.758 4.550 -0.014 0.000 0.338 613 Y C 1.583 177.472 175.900 -0.018 0.000 1.057 613 Y CA -1.128 56.920 58.100 -0.086 0.000 1.314 613 Y CB 0.174 38.564 38.460 -0.117 0.000 1.164 613 Y HN 0.313 nan 8.280 nan 0.000 0.509 614 H N 4.224 123.408 119.070 0.191 0.000 2.319 614 H HA -0.224 4.324 4.556 -0.014 0.000 0.299 614 H C 1.763 177.114 175.328 0.039 0.000 1.092 614 H CA 2.386 58.488 56.048 0.089 0.000 1.302 614 H CB 0.369 30.173 29.762 0.070 0.000 1.373 614 H HN 0.732 nan 8.280 nan 0.000 0.497 615 M N 1.025 120.611 119.600 -0.022 0.000 2.159 615 M HA -0.066 4.405 4.480 -0.014 0.000 0.263 615 M C 2.530 178.584 176.300 -0.409 0.000 1.063 615 M CA 1.817 57.010 55.300 -0.179 0.000 1.110 615 M CB -0.649 31.984 32.600 0.054 0.000 1.374 615 M HN 0.340 nan 8.290 nan 0.000 0.411 616 A N -0.426 121.911 122.820 -0.804 0.000 1.933 616 A HA -0.180 4.132 4.320 -0.014 0.000 0.218 616 A C 2.182 179.559 177.584 -0.345 0.000 1.175 616 A CA 1.798 53.398 52.037 -0.729 0.000 0.628 616 A CB -0.631 17.719 19.000 -1.083 0.000 0.814 616 A HN 0.584 nan 8.150 nan 0.000 0.444 617 K N -1.056 119.196 120.400 -0.247 0.000 2.148 617 K HA -0.052 4.259 4.320 -0.014 0.000 0.204 617 K C 1.919 178.469 176.600 -0.084 0.000 1.050 617 K CA 1.273 57.505 56.287 -0.091 0.000 0.942 617 K CB -0.202 32.311 32.500 0.021 0.000 0.724 617 K HN 0.349 nan 8.250 nan 0.000 0.446 618 M N 0.405 119.904 119.600 -0.169 0.000 2.175 618 M HA -0.071 4.400 4.480 -0.014 0.000 0.264 618 M C 2.109 178.343 176.300 -0.110 0.000 1.063 618 M CA 1.389 56.628 55.300 -0.102 0.000 1.119 618 M CB -0.586 31.934 32.600 -0.133 0.000 1.377 618 M HN 0.123 nan 8.290 nan 0.000 0.415 619 I N -0.049 120.418 120.570 -0.172 0.000 2.226 619 I HA -0.296 3.865 4.170 -0.014 0.000 0.245 619 I C 2.292 178.280 176.117 -0.214 0.000 1.100 619 I CA 1.053 62.243 61.300 -0.184 0.000 1.374 619 I CB -0.309 37.580 38.000 -0.185 0.000 1.057 619 I HN 0.162 nan 8.210 nan 0.000 0.413 620 I N 0.674 121.097 120.570 -0.246 0.000 2.163 620 I HA -0.323 3.838 4.170 -0.014 0.000 0.243 620 I C 2.612 178.452 176.117 -0.461 0.000 1.085 620 I CA 1.331 62.387 61.300 -0.407 0.000 1.347 620 I CB -0.330 37.400 38.000 -0.450 0.000 1.044 620 I HN 0.159 nan 8.210 nan 0.000 0.408 621 K N 1.520 121.664 120.400 -0.427 0.000 2.057 621 K HA -0.162 4.149 4.320 -0.014 0.000 0.207 621 K C 2.046 178.500 176.600 -0.243 0.000 1.049 621 K CA 1.551 57.515 56.287 -0.539 0.000 0.931 621 K CB -0.624 31.280 32.500 -0.993 0.000 0.714 621 K HN 0.233 nan 8.250 nan 0.000 0.440 622 L N 0.379 121.493 121.223 -0.181 0.000 2.012 622 L HA -0.199 4.133 4.340 -0.014 0.000 0.210 622 L C 2.237 178.879 176.870 -0.380 0.000 1.073 622 L CA 1.795 56.350 54.840 -0.476 0.000 0.748 622 L CB -0.307 41.379 42.059 -0.622 0.000 0.891 622 L HN 0.283 nan 8.230 nan 0.000 0.431 623 I N -0.265 120.133 120.570 -0.287 0.000 2.163 623 I HA -0.344 3.818 4.170 -0.014 0.000 0.243 623 I C 2.626 178.645 176.117 -0.164 0.000 1.085 623 I CA 1.990 63.172 61.300 -0.195 0.000 1.347 623 I CB -0.585 37.377 38.000 -0.064 0.000 1.044 623 I HN 0.433 nan 8.210 nan 0.000 0.408 624 T N -0.914 113.518 114.554 -0.205 0.000 2.867 624 T HA -0.063 4.279 4.350 -0.014 0.000 0.268 624 T C 1.946 176.589 174.700 -0.095 0.000 1.057 624 T CA 0.935 62.945 62.100 -0.149 0.000 1.136 624 T CB -0.442 68.294 68.868 -0.220 0.000 0.874 624 T HN 0.344 nan 8.240 nan 0.000 0.466 625 A N 1.425 124.187 122.820 -0.096 0.000 1.930 625 A HA 0.191 4.502 4.320 -0.014 0.000 0.217 625 A C 2.359 179.976 177.584 0.055 0.000 1.175 625 A CA 1.102 53.153 52.037 0.022 0.000 0.627 625 A CB -0.755 18.353 19.000 0.180 0.000 0.815 625 A HN 0.582 nan 8.150 nan 0.000 0.443 626 I N -0.221 120.277 120.570 -0.119 0.000 2.179 626 I HA -0.198 3.964 4.170 -0.014 0.000 0.242 626 I C 2.724 178.813 176.117 -0.047 0.000 1.088 626 I CA 1.120 62.333 61.300 -0.145 0.000 1.357 626 I CB -0.657 37.121 38.000 -0.369 0.000 1.051 626 I HN 0.385 nan 8.210 nan 0.000 0.409 627 G N 0.488 109.251 108.800 -0.062 0.000 2.469 627 G HA2 -0.276 3.675 3.960 -0.014 0.000 0.219 627 G HA3 -0.276 3.675 3.960 -0.014 0.000 0.219 627 G C 1.292 176.196 174.900 0.006 0.000 1.150 627 G CA 1.080 46.154 45.100 -0.043 0.000 0.763 627 G HN 0.289 nan 8.290 nan 0.000 0.561 628 D N -0.081 120.358 120.400 0.065 0.000 2.178 628 D HA -0.073 4.558 4.640 -0.014 0.000 0.201 628 D C 2.698 179.111 176.300 0.188 0.000 0.980 628 D CA 0.667 54.767 54.000 0.165 0.000 0.842 628 D CB -0.085 40.768 40.800 0.089 0.000 0.948 628 D HN 0.255 nan 8.370 nan 0.000 0.472 629 V N 0.134 120.096 119.914 0.080 0.000 2.331 629 V HA -0.124 3.988 4.120 -0.014 0.000 0.242 629 V C 2.584 178.636 176.094 -0.070 0.000 1.034 629 V CA 0.696 62.986 62.300 -0.015 0.000 1.027 629 V CB -0.163 31.610 31.823 -0.084 0.000 0.667 629 V HN 0.017 nan 8.190 nan 0.000 0.457 630 V N 0.946 120.767 119.914 -0.154 0.000 2.358 630 V HA -0.184 3.927 4.120 -0.014 0.000 0.246 630 V C 2.109 178.165 176.094 -0.065 0.000 1.047 630 V CA 1.952 64.147 62.300 -0.176 0.000 1.035 630 V CB -0.807 30.907 31.823 -0.182 0.000 0.658 630 V HN 0.564 nan 8.190 nan 0.000 0.452 631 N N -0.366 118.249 118.700 -0.142 0.000 2.494 631 N HA -0.068 4.663 4.740 -0.014 0.000 0.182 631 N C 1.154 176.404 175.510 -0.434 0.000 1.076 631 N CA 0.816 53.693 53.050 -0.288 0.000 0.908 631 N CB -0.227 38.026 38.487 -0.391 0.000 0.967 631 N HN 0.683 nan 8.380 nan 0.000 0.449 632 H N -1.545 117.540 119.070 0.024 0.000 2.784 632 H HA 0.201 4.749 4.556 -0.014 0.000 0.273 632 H C -0.489 174.859 175.328 0.034 0.000 1.112 632 H CA -0.499 55.565 56.048 0.026 0.000 1.162 632 H CB 0.624 30.393 29.762 0.011 0.000 1.586 632 H HN -0.016 nan 8.280 nan 0.000 0.548 633 D N 1.964 122.439 120.400 0.126 0.000 2.325 633 D HA 0.032 4.664 4.640 -0.014 0.000 0.251 633 D C -1.590 174.766 176.300 0.094 0.000 1.196 633 D CA -2.027 52.058 54.000 0.141 0.000 0.866 633 D CB 1.662 42.620 40.800 0.264 0.000 1.101 633 D HN 0.108 nan 8.370 nan 0.000 0.476 634 P HA -0.119 nan 4.420 nan 0.000 0.218 634 P C 1.562 178.879 177.300 0.028 0.000 1.149 634 P CA 0.398 63.522 63.100 0.040 0.000 0.817 634 P CB 0.375 32.094 31.700 0.032 0.000 0.785 635 V N -0.607 119.325 119.914 0.031 0.000 2.515 635 V HA -0.157 3.955 4.120 -0.014 0.000 0.250 635 V C 2.473 178.568 176.094 0.002 0.000 1.058 635 V CA 1.425 63.729 62.300 0.007 0.000 1.064 635 V CB -1.045 30.773 31.823 -0.009 0.000 0.675 635 V HN -0.019 nan 8.190 nan 0.000 0.461 636 V N -0.159 119.774 119.914 0.031 0.000 2.379 636 V HA 0.102 4.213 4.120 -0.014 0.000 0.245 636 V C 1.823 177.918 176.094 0.002 0.000 1.044 636 V CA 1.619 63.936 62.300 0.029 0.000 1.036 636 V CB -1.083 30.804 31.823 0.106 0.000 0.664 636 V HN 0.742 nan 8.190 nan 0.000 0.453 637 G N 1.510 110.313 108.800 0.005 0.000 2.556 637 G HA2 -0.358 3.593 3.960 -0.014 0.000 0.283 637 G HA3 -0.358 3.593 3.960 -0.014 0.000 0.283 637 G C 0.315 175.202 174.900 -0.023 0.000 1.177 637 G CA 0.417 45.509 45.100 -0.012 0.000 0.978 637 G HN 0.667 nan 8.290 nan 0.000 0.554 638 D N 0.419 120.803 120.400 -0.027 0.000 2.463 638 D HA 0.191 4.823 4.640 -0.014 0.000 0.224 638 D C 1.763 178.044 176.300 -0.031 0.000 1.174 638 D CA -0.029 53.954 54.000 -0.027 0.000 0.829 638 D CB -0.071 40.716 40.800 -0.022 0.000 0.993 638 D HN 0.595 nan 8.370 nan 0.000 0.497 639 R N -0.637 119.836 120.500 -0.045 0.000 2.200 639 R HA 0.206 4.538 4.340 -0.014 0.000 0.208 639 R C -0.005 176.247 176.300 -0.079 0.000 1.033 639 R CA 0.272 56.324 56.100 -0.080 0.000 1.000 639 R CB 0.330 30.564 30.300 -0.110 0.000 0.906 639 R HN 0.106 nan 8.270 nan 0.000 0.462 640 L N 0.506 121.700 121.223 -0.048 0.000 2.505 640 L HA 0.397 4.728 4.340 -0.014 0.000 0.266 640 L C -1.576 175.270 176.870 -0.039 0.000 0.954 640 L CA -0.495 54.318 54.840 -0.046 0.000 0.852 640 L CB 1.846 43.891 42.059 -0.023 0.000 1.282 640 L HN -0.182 nan 8.230 nan 0.000 0.403 641 R N 3.809 124.275 120.500 -0.056 0.000 2.621 641 R HA 0.789 5.120 4.340 -0.014 0.000 0.284 641 R C -1.715 174.537 176.300 -0.081 0.000 0.998 641 R CA -0.783 55.278 56.100 -0.065 0.000 0.895 641 R CB 2.455 32.721 30.300 -0.056 0.000 1.195 641 R HN 0.422 nan 8.270 nan 0.000 0.450 642 V N 4.861 124.726 119.914 -0.082 0.000 2.407 642 V HA 0.485 4.596 4.120 -0.014 0.000 0.291 642 V C -0.305 175.749 176.094 -0.066 0.000 1.018 642 V CA -0.768 61.484 62.300 -0.079 0.000 0.842 642 V CB 1.899 33.673 31.823 -0.081 0.000 0.996 642 V HN 0.491 nan 8.190 nan 0.000 0.426 643 I N 4.694 125.223 120.570 -0.068 0.000 2.465 643 I HA 0.429 4.591 4.170 -0.014 0.000 0.291 643 I C -0.638 175.465 176.117 -0.024 0.000 1.014 643 I CA -0.814 60.452 61.300 -0.056 0.000 1.093 643 I CB 1.813 39.752 38.000 -0.102 0.000 1.267 643 I HN 0.577 nan 8.210 nan 0.000 0.431 644 F N 6.673 126.556 119.950 -0.112 0.000 2.391 644 F HA 0.446 4.965 4.527 -0.014 0.000 0.359 644 F C -0.195 175.538 175.800 -0.111 0.000 1.122 644 F CA -0.481 57.457 58.000 -0.105 0.000 1.120 644 F CB 0.765 39.708 39.000 -0.095 0.000 1.142 644 F HN 0.256 nan 8.300 nan 0.000 0.483 645 L N 6.225 127.051 121.223 -0.662 0.000 2.342 645 L HA 0.205 4.536 4.340 -0.014 0.000 0.285 645 L C 0.280 176.899 176.870 -0.417 0.000 1.095 645 L CA -0.177 54.407 54.840 -0.427 0.000 0.843 645 L CB 0.512 42.414 42.059 -0.261 0.000 1.201 645 L HN 0.642 nan 8.230 nan 0.000 0.445 646 E N 3.802 123.904 120.200 -0.164 0.000 2.373 646 E HA -0.051 4.290 4.350 -0.014 0.000 0.267 646 E C 0.463 177.142 176.600 0.131 0.000 1.032 646 E CA -0.271 56.184 56.400 0.092 0.000 0.889 646 E CB 0.425 30.176 29.700 0.085 0.000 0.984 646 E HN 0.547 nan 8.360 nan 0.000 0.425 647 N N 2.522 121.352 118.700 0.218 0.000 2.740 647 N HA -0.279 4.452 4.740 -0.014 0.000 0.248 647 N C -1.536 174.075 175.510 0.169 0.000 1.062 647 N CA 0.527 53.698 53.050 0.202 0.000 0.704 647 N CB -1.656 36.963 38.487 0.221 0.000 0.968 647 N HN 0.505 nan 8.380 nan 0.000 0.547 648 Y N 1.544 121.859 120.300 0.025 0.000 2.721 648 Y HA 0.136 4.677 4.550 -0.015 0.000 0.329 648 Y C 1.163 177.085 175.900 0.035 0.000 1.211 648 Y CA 0.888 58.989 58.100 0.002 0.000 1.512 648 Y CB 0.294 38.723 38.460 -0.052 0.000 1.249 648 Y HN 0.379 nan 8.280 nan 0.000 0.549 649 R N 2.270 122.411 120.500 -0.598 0.000 2.756 649 R HA 0.409 4.740 4.340 -0.014 0.000 0.273 649 R C -0.637 175.330 176.300 -0.555 0.000 1.030 649 R CA -0.551 55.297 56.100 -0.419 0.000 0.887 649 R CB 0.230 30.466 30.300 -0.107 0.000 1.274 649 R HN 0.341 nan 8.270 nan 0.000 0.461 650 V N 0.841 120.474 119.914 -0.468 0.000 2.287 650 V HA -0.231 3.880 4.120 -0.014 0.000 0.248 650 V C 2.200 178.163 176.094 -0.218 0.000 1.053 650 V CA 2.629 64.709 62.300 -0.367 0.000 1.027 650 V CB -0.650 30.929 31.823 -0.407 0.000 0.646 650 V HN 0.813 nan 8.190 nan 0.000 0.447 651 S N -0.172 115.419 115.700 -0.181 0.000 2.382 651 S HA -0.161 4.300 4.470 -0.014 0.000 0.228 651 S C 1.850 176.391 174.600 -0.099 0.000 1.027 651 S CA 1.534 59.655 58.200 -0.130 0.000 0.991 651 S CB -0.381 62.771 63.200 -0.080 0.000 0.823 651 S HN 0.414 nan 8.310 nan 0.000 0.469 652 L N 1.800 122.975 121.223 -0.081 0.000 2.093 652 L HA 0.079 4.411 4.340 -0.014 0.000 0.208 652 L C 2.350 179.232 176.870 0.020 0.000 1.085 652 L CA 1.636 56.477 54.840 0.001 0.000 0.755 652 L CB -1.119 40.999 42.059 0.099 0.000 0.904 652 L HN 0.248 nan 8.230 nan 0.000 0.435 653 A N -0.813 121.988 122.820 -0.030 0.000 1.902 653 A HA -0.237 4.074 4.320 -0.014 0.000 0.217 653 A C 2.136 179.778 177.584 0.097 0.000 1.181 653 A CA 1.783 53.880 52.037 0.101 0.000 0.623 653 A CB -0.607 18.438 19.000 0.075 0.000 0.818 653 A HN 0.585 nan 8.150 nan 0.000 0.443 654 E N -0.389 119.842 120.200 0.052 0.000 2.265 654 E HA -0.174 4.168 4.350 -0.014 0.000 0.196 654 E C 1.902 178.464 176.600 -0.063 0.000 0.996 654 E CA 1.262 57.645 56.400 -0.028 0.000 0.832 654 E CB -0.055 29.535 29.700 -0.183 0.000 0.756 654 E HN 0.630 nan 8.360 nan 0.000 0.491 655 K N -0.028 120.322 120.400 -0.083 0.000 2.141 655 K HA 0.023 4.334 4.320 -0.014 0.000 0.202 655 K C 2.154 178.595 176.600 -0.266 0.000 1.045 655 K CA 0.479 56.710 56.287 -0.093 0.000 0.971 655 K CB 0.016 32.473 32.500 -0.073 0.000 0.795 655 K HN -0.042 nan 8.250 nan 0.000 0.459 656 V N 1.837 121.504 119.914 -0.411 0.000 2.488 656 V HA -0.116 3.995 4.120 -0.014 0.000 0.246 656 V C 1.892 177.752 176.094 -0.390 0.000 1.046 656 V CA 1.157 62.986 62.300 -0.785 0.000 1.053 656 V CB -0.151 31.298 31.823 -0.624 0.000 0.679 656 V HN 0.236 nan 8.190 nan 0.000 0.458 657 I N 0.736 121.131 120.570 -0.292 0.000 2.163 657 I HA -0.142 4.020 4.170 -0.014 0.000 0.243 657 I C -0.217 175.787 176.117 -0.187 0.000 1.085 657 I CA 1.690 62.745 61.300 -0.409 0.000 1.347 657 I CB -1.555 36.064 38.000 -0.635 0.000 1.044 657 I HN 0.363 nan 8.210 nan 0.000 0.408 658 P HA -0.129 nan 4.420 nan 0.000 0.222 658 P C 1.108 178.407 177.300 -0.001 0.000 1.147 658 P CA 1.359 64.438 63.100 -0.035 0.000 0.790 658 P CB 0.011 31.698 31.700 -0.022 0.000 0.780 659 A N -1.071 121.733 122.820 -0.026 0.000 2.218 659 A HA 0.396 4.707 4.320 -0.014 0.000 0.209 659 A C 1.244 178.927 177.584 0.165 0.000 1.168 659 A CA 0.291 52.366 52.037 0.063 0.000 0.804 659 A CB -0.789 18.252 19.000 0.069 0.000 0.834 659 A HN 0.213 nan 8.150 nan 0.000 0.482 660 A N -0.142 122.779 122.820 0.169 0.000 2.340 660 A HA 0.470 4.781 4.320 -0.014 0.000 0.268 660 A C 0.369 178.100 177.584 0.245 0.000 1.100 660 A CA -0.159 52.041 52.037 0.271 0.000 0.803 660 A CB 0.365 19.609 19.000 0.405 0.000 1.043 660 A HN 0.267 nan 8.150 nan 0.000 0.488 661 D N 0.302 120.844 120.400 0.236 0.000 2.338 661 D HA 0.121 4.752 4.640 -0.014 0.000 0.224 661 D C 0.052 176.561 176.300 0.349 0.000 0.967 661 D CA 0.780 54.969 54.000 0.315 0.000 0.896 661 D CB 0.277 41.176 40.800 0.164 0.000 1.028 661 D HN 0.355 nan 8.370 nan 0.000 0.493 662 L N 1.016 122.327 121.223 0.146 0.000 2.356 662 L HA 0.295 4.627 4.340 -0.014 0.000 0.277 662 L C -0.826 175.923 176.870 -0.203 0.000 0.996 662 L CA -0.314 54.535 54.840 0.014 0.000 0.822 662 L CB 2.118 44.157 42.059 -0.033 0.000 1.256 662 L HN -0.185 nan 8.230 nan 0.000 0.413 663 S N 4.182 119.674 115.700 -0.347 0.000 2.429 663 S HA 0.336 4.798 4.470 -0.014 0.000 0.302 663 S C -0.443 173.886 174.600 -0.451 0.000 1.115 663 S CA -0.666 57.088 58.200 -0.743 0.000 1.095 663 S CB 0.663 63.385 63.200 -0.798 0.000 0.987 663 S HN 0.549 nan 8.310 nan 0.000 0.474 664 E N 4.061 124.008 120.200 -0.422 0.000 2.081 664 E HA 0.226 4.567 4.350 -0.014 0.000 0.281 664 E C -0.601 175.891 176.600 -0.180 0.000 0.986 664 E CA -0.453 55.822 56.400 -0.207 0.000 0.796 664 E CB 1.078 30.684 29.700 -0.155 0.000 1.085 664 E HN 0.591 nan 8.360 nan 0.000 0.398 665 Q N 2.825 122.575 119.800 -0.083 0.000 3.064 665 Q HA 0.280 4.611 4.340 -0.014 0.000 0.258 665 Q C 0.547 176.541 176.000 -0.009 0.000 0.972 665 Q CA -0.125 55.643 55.803 -0.059 0.000 0.761 665 Q CB 0.309 29.023 28.738 -0.039 0.000 1.281 665 Q HN 0.623 nan 8.270 nan 0.000 0.455 666 I N -1.778 118.771 120.570 -0.035 0.000 3.707 666 I HA 0.279 4.440 4.170 -0.014 0.000 0.330 666 I C 0.405 176.484 176.117 -0.064 0.000 1.572 666 I CA -0.696 60.601 61.300 -0.005 0.000 1.104 666 I CB 0.601 38.597 38.000 -0.006 0.000 1.240 666 I HN 0.021 nan 8.210 nan 0.000 0.475 667 S N 0.475 116.136 115.700 -0.065 0.000 2.568 667 S HA 0.193 4.654 4.470 -0.014 0.000 0.282 667 S C 0.579 175.171 174.600 -0.013 0.000 1.338 667 S CA -0.222 57.959 58.200 -0.030 0.000 1.045 667 S CB 0.303 63.534 63.200 0.052 0.000 0.873 667 S HN 0.374 nan 8.310 nan 0.000 0.516 668 T N 2.838 117.418 114.554 0.042 0.000 2.908 668 T HA 0.372 4.714 4.350 -0.014 0.000 0.301 668 T C 0.769 175.485 174.700 0.027 0.000 1.019 668 T CA 0.261 62.391 62.100 0.051 0.000 1.152 668 T CB -0.031 68.939 68.868 0.170 0.000 0.966 668 T HN 1.025 nan 8.240 nan 0.000 0.540 669 A N 2.673 125.478 122.820 -0.026 0.000 2.567 669 A HA 0.453 4.765 4.320 -0.014 0.000 0.240 669 A C 1.648 179.228 177.584 -0.005 0.000 1.053 669 A CA 0.277 52.293 52.037 -0.034 0.000 0.755 669 A CB -0.882 18.084 19.000 -0.056 0.000 0.978 669 A HN 1.752 nan 8.150 nan 0.000 0.507 670 G N 1.339 110.134 108.800 -0.007 0.000 2.175 670 G HA2 -0.245 3.706 3.960 -0.014 0.000 0.244 670 G HA3 -0.245 3.706 3.960 -0.014 0.000 0.244 670 G C 0.847 175.740 174.900 -0.013 0.000 0.982 670 G CA 1.180 46.278 45.100 -0.004 0.000 0.641 670 G HN 1.995 nan 8.290 nan 0.000 0.527 671 T N -2.551 111.992 114.554 -0.019 0.000 3.038 671 T HA 0.403 4.744 4.350 -0.014 0.000 0.244 671 T C 0.762 175.309 174.700 -0.255 0.000 1.016 671 T CA 1.032 63.054 62.100 -0.131 0.000 1.098 671 T CB 0.505 69.340 68.868 -0.055 0.000 0.954 671 T HN 0.270 nan 8.240 nan 0.000 0.469 672 E N 1.599 121.782 120.200 -0.028 0.000 2.052 672 E HA 0.647 4.988 4.350 -0.014 0.000 0.283 672 E C 1.157 177.716 176.600 -0.069 0.000 1.071 672 E CA 0.113 56.539 56.400 0.043 0.000 0.851 672 E CB 0.791 30.575 29.700 0.139 0.000 1.066 672 E HN 0.372 nan 8.360 nan 0.000 0.396 673 A N 3.425 126.131 122.820 -0.189 0.000 1.892 673 A HA -0.216 4.095 4.320 -0.014 0.000 0.218 673 A C 2.002 179.466 177.584 -0.200 0.000 1.188 673 A CA 2.254 54.051 52.037 -0.401 0.000 0.631 673 A CB -0.285 18.226 19.000 -0.815 0.000 0.822 673 A HN 0.602 nan 8.150 nan 0.000 0.447 674 S N -3.775 111.863 115.700 -0.103 0.000 3.624 674 S HA 0.452 4.914 4.470 -0.014 0.000 0.244 674 S C 0.706 175.299 174.600 -0.013 0.000 1.115 674 S CA 1.457 59.642 58.200 -0.026 0.000 0.820 674 S CB -0.082 63.123 63.200 0.010 0.000 0.964 674 S HN 2.252 nan 8.310 nan 0.000 0.508 675 G N 0.451 109.249 108.800 -0.004 0.000 2.767 675 G HA2 -0.077 3.874 3.960 -0.014 0.000 0.686 675 G HA3 -0.077 3.874 3.960 -0.014 0.000 0.686 675 G C 0.245 175.128 174.900 -0.027 0.000 1.213 675 G CA 0.441 45.535 45.100 -0.009 0.000 0.803 675 G HN 1.246 nan 8.290 nan 0.000 0.603 676 T N -1.468 113.057 114.554 -0.049 0.000 3.010 676 T HA 0.377 4.718 4.350 -0.014 0.000 0.253 676 T C 2.435 177.039 174.700 -0.160 0.000 0.939 676 T CA 1.256 63.298 62.100 -0.097 0.000 0.910 676 T CB 0.218 69.021 68.868 -0.108 0.000 1.226 676 T HN 1.892 nan 8.240 nan 0.000 0.508 677 G N 3.279 112.010 108.800 -0.114 0.000 2.469 677 G HA2 -0.326 3.625 3.960 -0.014 0.000 0.219 677 G HA3 -0.326 3.625 3.960 -0.014 0.000 0.219 677 G C 1.470 176.421 174.900 0.084 0.000 1.150 677 G CA 1.328 46.386 45.100 -0.070 0.000 0.763 677 G HN 0.839 nan 8.290 nan 0.000 0.561 678 N N -0.051 118.682 118.700 0.054 0.000 2.060 678 N HA -0.127 4.604 4.740 -0.014 0.000 0.195 678 N C 1.460 176.977 175.510 0.013 0.000 1.028 678 N CA 0.758 53.840 53.050 0.052 0.000 0.861 678 N CB -0.355 38.118 38.487 -0.024 0.000 1.029 678 N HN 0.350 nan 8.380 nan 0.000 0.428 682 M N 0.319 120.008 119.600 0.148 0.000 2.086 682 M HA -0.158 4.314 4.480 -0.014 0.000 0.261 682 M C 2.024 178.379 176.300 0.091 0.000 1.067 682 M CA 1.862 57.219 55.300 0.096 0.000 1.116 682 M CB -0.108 32.536 32.600 0.074 0.000 1.348 682 M HN 0.313 nan 8.290 nan 0.000 0.407 683 L N 0.835 122.109 121.223 0.084 0.000 2.275 683 L HA -0.113 4.219 4.340 -0.014 0.000 0.215 683 L C 1.332 178.247 176.870 0.075 0.000 1.119 683 L CA 1.647 56.542 54.840 0.092 0.000 0.790 683 L CB -0.621 41.502 42.059 0.106 0.000 0.919 683 L HN 0.367 nan 8.230 nan 0.000 0.443 684 N N -0.426 118.310 118.700 0.061 0.000 2.214 684 N HA 0.178 4.909 4.740 -0.014 0.000 0.214 684 N C 0.846 176.395 175.510 0.064 0.000 1.132 684 N CA 0.784 53.864 53.050 0.050 0.000 0.856 684 N CB 0.635 39.129 38.487 0.012 0.000 1.020 684 N HN 0.379 nan 8.380 nan 0.000 0.509 685 G N 0.630 109.475 108.800 0.074 0.000 2.142 685 G HA2 -0.198 3.753 3.960 -0.014 0.000 0.225 685 G HA3 -0.198 3.753 3.960 -0.014 0.000 0.225 685 G C 0.001 174.975 174.900 0.122 0.000 1.015 685 G CA 0.138 45.282 45.100 0.073 0.000 0.716 685 G HN 0.511 nan 8.290 nan 0.000 0.508 686 A N -0.305 122.601 122.820 0.143 0.000 2.312 686 A HA 0.876 5.187 4.320 -0.014 0.000 0.328 686 A C 0.484 178.085 177.584 0.029 0.000 1.158 686 A CA -0.597 51.541 52.037 0.168 0.000 0.821 686 A CB 0.949 20.102 19.000 0.256 0.000 1.170 686 A HN 0.717 nan 8.150 nan 0.000 0.490 687 L N 0.792 121.995 121.223 -0.033 0.000 2.421 687 L HA 0.433 4.764 4.340 -0.014 0.000 0.263 687 L C 0.197 176.951 176.870 -0.194 0.000 1.122 687 L CA -0.338 54.385 54.840 -0.195 0.000 0.804 687 L CB 1.453 43.303 42.059 -0.348 0.000 1.150 687 L HN 0.690 nan 8.230 nan 0.000 0.457 688 T N 2.649 116.966 114.554 -0.395 0.000 2.779 688 T HA 0.455 4.797 4.350 -0.014 0.000 0.280 688 T C -0.392 174.134 174.700 -0.291 0.000 0.987 688 T CA -0.262 61.553 62.100 -0.475 0.000 0.966 688 T CB 1.545 69.918 68.868 -0.825 0.000 0.933 688 T HN 0.352 nan 8.240 nan 0.000 0.442 689 I N 2.959 123.469 120.570 -0.099 0.000 2.339 689 I HA 0.710 4.872 4.170 -0.014 0.000 0.290 689 I C 0.057 176.311 176.117 0.228 0.000 0.994 689 I CA 0.046 61.412 61.300 0.111 0.000 1.191 689 I CB 0.337 38.351 38.000 0.023 0.000 1.343 689 I HN 0.775 nan 8.210 nan 0.000 0.458 690 G N 4.034 113.055 108.800 0.369 0.000 2.673 690 G HA2 0.454 4.406 3.960 -0.014 0.000 0.292 690 G HA3 0.454 4.406 3.960 -0.014 0.000 0.292 690 G C -0.832 174.024 174.900 -0.073 0.000 1.450 690 G CA -0.453 44.782 45.100 0.225 0.000 0.837 690 G HN 0.596 nan 8.290 nan 0.000 0.505 691 T N -1.044 113.317 114.554 -0.321 0.000 2.816 691 T HA 0.471 4.813 4.350 -0.014 0.000 0.282 691 T C 0.803 175.394 174.700 -0.181 0.000 0.993 691 T CA -0.630 61.200 62.100 -0.449 0.000 0.994 691 T CB 0.983 69.605 68.868 -0.411 0.000 1.025 691 T HN 0.258 nan 8.240 nan 0.000 0.529 692 M N 2.787 122.287 119.600 -0.167 0.000 3.436 692 M HA 0.323 4.794 4.480 -0.014 0.000 0.240 692 M C -0.454 175.796 176.300 -0.083 0.000 1.469 692 M CA -0.052 55.185 55.300 -0.105 0.000 1.622 692 M CB -1.671 30.874 32.600 -0.092 0.000 1.098 692 M HN 0.726 nan 8.290 nan 0.000 0.568 693 D N 0.004 120.363 120.400 -0.068 0.000 2.671 693 D HA 0.675 5.306 4.640 -0.014 0.000 0.232 693 D C 0.730 177.014 176.300 -0.028 0.000 1.114 693 D CA 0.690 54.664 54.000 -0.043 0.000 0.858 693 D CB 1.768 42.545 40.800 -0.038 0.000 1.544 693 D HN 0.601 nan 8.370 nan 0.000 0.471 694 G N 1.755 110.548 108.800 -0.012 0.000 2.627 694 G HA2 -0.265 3.687 3.960 -0.014 0.000 0.312 694 G HA3 -0.265 3.687 3.960 -0.014 0.000 0.312 694 G C 1.039 175.936 174.900 -0.004 0.000 1.299 694 G CA 1.162 46.259 45.100 -0.004 0.000 0.989 694 G HN 1.051 nan 8.290 nan 0.000 0.547 695 A N -0.379 122.434 122.820 -0.011 0.000 2.167 695 A HA 0.105 4.416 4.320 -0.014 0.000 0.214 695 A C 2.115 179.643 177.584 -0.094 0.000 1.151 695 A CA 1.794 53.821 52.037 -0.017 0.000 0.735 695 A CB -0.441 18.543 19.000 -0.026 0.000 0.802 695 A HN 0.620 nan 8.150 nan 0.000 0.467 696 N N 0.585 119.235 118.700 -0.082 0.000 2.094 696 N HA -0.165 4.567 4.740 -0.014 0.000 0.191 696 N C 1.593 176.974 175.510 -0.216 0.000 1.023 696 N CA 1.647 54.639 53.050 -0.096 0.000 0.857 696 N CB -0.640 37.843 38.487 -0.005 0.000 1.013 696 N HN 0.281 nan 8.380 nan 0.000 0.426 697 V N 1.177 121.010 119.914 -0.135 0.000 2.332 697 V HA -0.220 3.892 4.120 -0.014 0.000 0.248 697 V C 1.998 178.017 176.094 -0.126 0.000 1.055 697 V CA 1.712 63.930 62.300 -0.136 0.000 1.038 697 V CB -0.462 31.318 31.823 -0.070 0.000 0.651 697 V HN 0.366 nan 8.190 nan 0.000 0.450 698 E N -0.733 119.449 120.200 -0.031 0.000 2.158 698 E HA -0.113 4.228 4.350 -0.014 0.000 0.191 698 E C 2.239 178.952 176.600 0.188 0.000 0.982 698 E CA 0.960 57.421 56.400 0.103 0.000 0.823 698 E CB -0.164 29.682 29.700 0.243 0.000 0.766 698 E HN 0.538 nan 8.360 nan 0.000 0.468 699 M N 0.559 120.158 119.600 -0.002 0.000 2.067 699 M HA -0.180 4.291 4.480 -0.014 0.000 0.260 699 M C 2.533 178.628 176.300 -0.341 0.000 1.069 699 M CA 1.658 56.878 55.300 -0.134 0.000 1.117 699 M CB -0.283 32.124 32.600 -0.322 0.000 1.334 699 M HN 0.142 nan 8.290 nan 0.000 0.407 700 A N -0.083 122.243 122.820 -0.824 0.000 1.908 700 A HA -0.244 4.067 4.320 -0.014 0.000 0.218 700 A C 1.976 179.380 177.584 -0.301 0.000 1.181 700 A CA 2.129 53.661 52.037 -0.841 0.000 0.627 700 A CB -0.877 17.627 19.000 -0.826 0.000 0.818 700 A HN 0.607 nan 8.150 nan 0.000 0.445 701 E N -0.528 119.560 120.200 -0.188 0.000 2.077 701 E HA -0.212 4.130 4.350 -0.014 0.000 0.193 701 E C 1.849 178.427 176.600 -0.036 0.000 0.989 701 E CA 1.247 57.597 56.400 -0.085 0.000 0.800 701 E CB -0.065 29.602 29.700 -0.054 0.000 0.746 701 E HN 0.556 nan 8.360 nan 0.000 0.452 702 E N 0.154 120.361 120.200 0.012 0.000 2.047 702 E HA -0.142 4.199 4.350 -0.014 0.000 0.191 702 E C 1.919 178.546 176.600 0.044 0.000 0.987 702 E CA 1.183 57.610 56.400 0.046 0.000 0.799 702 E CB -0.253 29.530 29.700 0.138 0.000 0.752 702 E HN 0.371 nan 8.360 nan 0.000 0.449 703 A N 0.391 123.243 122.820 0.053 0.000 2.016 703 A HA 0.289 4.600 4.320 -0.014 0.000 0.217 703 A C 1.087 178.688 177.584 0.029 0.000 1.162 703 A CA 1.200 53.279 52.037 0.070 0.000 0.662 703 A CB -0.119 18.974 19.000 0.156 0.000 0.812 703 A HN 0.274 nan 8.150 nan 0.000 0.450 704 G N -0.635 108.159 108.800 -0.009 0.000 3.055 704 G HA2 -0.092 3.860 3.960 -0.014 0.000 0.686 704 G HA3 -0.092 3.860 3.960 -0.014 0.000 0.686 704 G C -0.019 174.866 174.900 -0.024 0.000 1.087 704 G CA 0.006 45.093 45.100 -0.022 0.000 0.779 704 G HN 0.252 nan 8.290 nan 0.000 0.599 705 E N 1.032 121.206 120.200 -0.044 0.000 2.209 705 E HA -0.174 4.167 4.350 -0.014 0.000 0.196 705 E C 2.017 178.604 176.600 -0.021 0.000 0.993 705 E CA 1.746 58.126 56.400 -0.032 0.000 0.819 705 E CB 0.084 29.762 29.700 -0.038 0.000 0.745 705 E HN 0.776 nan 8.360 nan 0.000 0.477 706 E N 0.732 120.906 120.200 -0.043 0.000 2.338 706 E HA -0.094 4.247 4.350 -0.014 0.000 0.197 706 E C 0.990 177.504 176.600 -0.142 0.000 1.007 706 E CA 0.640 56.991 56.400 -0.081 0.000 0.849 706 E CB -0.030 29.634 29.700 -0.060 0.000 0.774 706 E HN 0.149 nan 8.360 nan 0.000 0.506 707 N N -0.446 118.202 118.700 -0.087 0.000 2.238 707 N HA 0.153 4.884 4.740 -0.014 0.000 0.222 707 N C -0.993 174.456 175.510 -0.102 0.000 1.133 707 N CA 0.050 53.027 53.050 -0.121 0.000 0.854 707 N CB 0.433 38.899 38.487 -0.036 0.000 1.041 707 N HN 0.051 nan 8.380 nan 0.000 0.510 708 F N -0.306 119.447 119.950 -0.329 0.000 2.588 708 F HA 0.409 4.926 4.527 -0.015 0.000 0.310 708 F C -0.946 174.657 175.800 -0.329 0.000 1.082 708 F CA -1.079 56.773 58.000 -0.246 0.000 0.929 708 F CB 1.357 40.291 39.000 -0.110 0.000 1.254 708 F HN -0.223 nan 8.300 nan 0.000 0.455 709 F N 5.721 125.647 119.950 -0.039 0.000 2.329 709 F HA 0.439 4.957 4.527 -0.014 0.000 0.362 709 F C -0.095 175.833 175.800 0.213 0.000 1.113 709 F CA -0.367 57.665 58.000 0.055 0.000 1.212 709 F CB 0.113 39.093 39.000 -0.034 0.000 1.509 709 F HN 0.078 nan 8.300 nan 0.000 0.546 710 I N 4.255 125.039 120.570 0.357 0.000 2.385 710 I HA 0.416 4.577 4.170 -0.014 0.000 0.294 710 I C -0.348 175.969 176.117 0.333 0.000 0.988 710 I CA -0.742 60.739 61.300 0.302 0.000 1.265 710 I CB 1.057 39.158 38.000 0.169 0.000 1.388 710 I HN 0.341 nan 8.210 nan 0.000 0.480 711 F N 3.445 123.468 119.950 0.122 0.000 2.685 711 F HA 0.936 5.454 4.527 -0.015 0.000 0.315 711 F C -0.037 175.808 175.800 0.074 0.000 1.126 711 F CA -0.680 57.380 58.000 0.098 0.000 0.950 711 F CB 1.063 40.134 39.000 0.118 0.000 1.360 711 F HN 0.760 nan 8.300 nan 0.000 0.469 712 G N 0.999 109.849 108.800 0.083 0.000 2.710 712 G HA2 -0.051 3.900 3.960 -0.014 0.000 0.668 712 G HA3 -0.051 3.900 3.960 -0.014 0.000 0.668 712 G C -0.946 173.925 174.900 -0.049 0.000 1.320 712 G CA -0.683 44.410 45.100 -0.012 0.000 0.860 712 G HN 0.954 nan 8.290 nan 0.000 0.538 713 M N 0.977 120.561 119.600 -0.028 0.000 2.251 713 M HA 0.180 4.652 4.480 -0.014 0.000 0.343 713 M C 1.213 177.479 176.300 -0.057 0.000 1.245 713 M CA 0.042 55.332 55.300 -0.017 0.000 1.061 713 M CB 0.245 32.844 32.600 -0.002 0.000 1.723 713 M HN 0.509 nan 8.290 nan 0.000 0.449 714 R N 1.965 122.445 120.500 -0.034 0.000 2.583 714 R HA 0.218 4.549 4.340 -0.014 0.000 0.268 714 R C 1.265 177.548 176.300 -0.029 0.000 1.101 714 R CA -0.536 55.539 56.100 -0.040 0.000 1.180 714 R CB -0.105 30.178 30.300 -0.028 0.000 1.128 714 R HN 0.581 nan 8.270 nan 0.000 0.568 715 V N 1.544 121.440 119.914 -0.030 0.000 2.317 715 V HA -0.298 3.813 4.120 -0.014 0.000 0.251 715 V C 1.901 177.986 176.094 -0.015 0.000 1.065 715 V CA 2.177 64.463 62.300 -0.023 0.000 1.049 715 V CB -0.487 31.321 31.823 -0.025 0.000 0.651 715 V HN 0.638 nan 8.190 nan 0.000 0.450 716 E N 0.048 120.241 120.200 -0.012 0.000 2.110 716 E HA -0.188 4.154 4.350 -0.014 0.000 0.193 716 E C 1.963 178.568 176.600 0.007 0.000 0.988 716 E CA 1.392 57.789 56.400 -0.004 0.000 0.804 716 E CB -0.364 29.334 29.700 -0.003 0.000 0.745 716 E HN 0.634 nan 8.360 nan 0.000 0.458 717 D N -0.123 120.284 120.400 0.010 0.000 2.117 717 D HA -0.101 4.530 4.640 -0.014 0.000 0.198 717 D C 2.009 178.326 176.300 0.028 0.000 0.982 717 D CA 0.890 54.906 54.000 0.027 0.000 0.828 717 D CB -0.105 40.714 40.800 0.032 0.000 0.967 717 D HN 0.063 nan 8.370 nan 0.000 0.464 718 V N 1.906 121.825 119.914 0.008 0.000 2.295 718 V HA -0.224 3.887 4.120 -0.014 0.000 0.246 718 V C 2.011 178.107 176.094 0.003 0.000 1.049 718 V CA 1.713 64.010 62.300 -0.004 0.000 1.024 718 V CB -0.442 31.370 31.823 -0.020 0.000 0.648 718 V HN 0.031 nan 8.190 nan 0.000 0.447 719 D N -0.114 120.288 120.400 0.003 0.000 2.104 719 D HA -0.176 4.455 4.640 -0.014 0.000 0.194 719 D C 2.419 178.731 176.300 0.020 0.000 0.994 719 D CA 1.400 55.403 54.000 0.005 0.000 0.830 719 D CB -0.272 40.528 40.800 -0.000 0.000 0.959 719 D HN 0.347 nan 8.370 nan 0.000 0.452 720 R N 0.003 120.520 120.500 0.028 0.000 2.081 720 R HA -0.028 4.303 4.340 -0.014 0.000 0.235 720 R C 2.519 178.854 176.300 0.059 0.000 1.131 720 R CA 0.526 56.650 56.100 0.040 0.000 0.960 720 R CB -0.344 29.982 30.300 0.043 0.000 0.856 720 R HN 0.203 nan 8.270 nan 0.000 0.436 721 L N 0.547 121.815 121.223 0.074 0.000 2.093 721 L HA -0.204 4.128 4.340 -0.014 0.000 0.208 721 L C 1.462 178.397 176.870 0.109 0.000 1.085 721 L CA 1.313 56.224 54.840 0.118 0.000 0.755 721 L CB -0.264 41.882 42.059 0.145 0.000 0.904 721 L HN 0.228 nan 8.230 nan 0.000 0.435 722 D N -0.531 119.907 120.400 0.065 0.000 2.144 722 D HA -0.203 4.428 4.640 -0.014 0.000 0.199 722 D C 2.221 178.551 176.300 0.050 0.000 0.984 722 D CA 1.051 55.082 54.000 0.051 0.000 0.834 722 D CB -0.005 40.804 40.800 0.016 0.000 0.955 722 D HN 0.415 nan 8.370 nan 0.000 0.465 723 Q N -0.025 119.801 119.800 0.043 0.000 2.050 723 Q HA -0.144 4.188 4.340 -0.014 0.000 0.202 723 Q C 2.182 178.207 176.000 0.043 0.000 0.980 723 Q CA 1.334 57.159 55.803 0.036 0.000 0.840 723 Q CB -0.059 28.696 28.738 0.030 0.000 0.898 723 Q HN 0.350 nan 8.270 nan 0.000 0.424 724 R N -0.348 120.184 120.500 0.054 0.000 2.276 724 R HA 0.200 4.531 4.340 -0.014 0.000 0.196 724 R C 0.196 176.534 176.300 0.062 0.000 0.961 724 R CA 0.702 56.834 56.100 0.053 0.000 1.024 724 R CB 0.257 30.589 30.300 0.052 0.000 0.940 724 R HN 0.106 nan 8.270 nan 0.000 0.480 725 G N 0.863 109.714 108.800 0.086 0.000 3.055 725 G HA2 -0.258 3.694 3.960 -0.014 0.000 0.686 725 G HA3 -0.258 3.694 3.960 -0.014 0.000 0.686 725 G C -1.498 173.496 174.900 0.156 0.000 1.087 725 G CA -0.409 44.752 45.100 0.102 0.000 0.779 725 G HN 0.318 nan 8.290 nan 0.000 0.599 726 Y N 3.120 123.451 120.300 0.051 0.000 2.452 726 Y HA 0.598 5.140 4.550 -0.014 0.000 0.348 726 Y C 0.270 176.220 175.900 0.085 0.000 0.985 726 Y CA -1.326 56.823 58.100 0.082 0.000 1.214 726 Y CB 1.101 39.593 38.460 0.055 0.000 1.136 726 Y HN 0.618 nan 8.280 nan 0.000 0.523 727 N N 4.870 123.370 118.700 -0.334 0.000 2.621 727 N HA 0.332 5.064 4.740 -0.014 0.000 0.237 727 N C 0.361 175.622 175.510 -0.415 0.000 0.997 727 N CA 0.279 53.132 53.050 -0.329 0.000 0.918 727 N CB 1.162 39.572 38.487 -0.128 0.000 1.122 727 N HN 0.775 nan 8.380 nan 0.000 0.510 728 A N 2.904 125.381 122.820 -0.570 0.000 1.972 728 A HA -0.195 4.117 4.320 -0.014 0.000 0.219 728 A C 1.885 179.593 177.584 0.206 0.000 1.169 728 A CA 1.459 53.395 52.037 -0.169 0.000 0.635 728 A CB -0.482 18.354 19.000 -0.272 0.000 0.810 728 A HN 0.714 nan 8.150 nan 0.000 0.446 729 Q N 0.301 120.115 119.800 0.022 0.000 2.152 729 Q HA -0.245 4.087 4.340 -0.014 0.000 0.206 729 Q C 1.887 177.951 176.000 0.107 0.000 0.985 729 Q CA 2.337 58.172 55.803 0.054 0.000 0.863 729 Q CB -0.373 28.350 28.738 -0.025 0.000 0.904 729 Q HN 0.778 nan 8.270 nan 0.000 0.422 730 E N -1.365 118.838 120.200 0.006 0.000 2.070 730 E HA -0.253 4.088 4.350 -0.014 0.000 0.197 730 E C 1.610 178.137 176.600 -0.121 0.000 1.004 730 E CA 1.568 57.902 56.400 -0.110 0.000 0.805 730 E CB -0.262 29.273 29.700 -0.274 0.000 0.744 730 E HN 0.606 nan 8.360 nan 0.000 0.451 731 Y N -1.025 119.336 120.300 0.101 0.000 2.163 731 Y HA -0.221 4.320 4.550 -0.014 0.000 0.288 731 Y C 2.280 178.171 175.900 -0.014 0.000 1.136 731 Y CA 1.587 59.734 58.100 0.080 0.000 1.147 731 Y CB -0.722 37.841 38.460 0.172 0.000 0.987 731 Y HN 0.234 nan 8.280 nan 0.000 0.509 732 Y N 1.377 121.692 120.300 0.026 0.000 2.151 732 Y HA -0.301 4.240 4.550 -0.014 0.000 0.284 732 Y C 1.851 177.712 175.900 -0.065 0.000 1.166 732 Y CA 1.929 59.970 58.100 -0.099 0.000 1.163 732 Y CB -0.428 38.025 38.460 -0.010 0.000 0.974 732 Y HN 0.095 nan 8.280 nan 0.000 0.511 733 D N -0.232 120.258 120.400 0.150 0.000 2.144 733 D HA -0.126 4.505 4.640 -0.014 0.000 0.200 733 D C 1.848 178.123 176.300 -0.041 0.000 0.978 733 D CA 1.530 55.564 54.000 0.057 0.000 0.833 733 D CB -0.169 40.680 40.800 0.082 0.000 0.961 733 D HN 0.572 nan 8.370 nan 0.000 0.470 734 R N 0.035 120.509 120.500 -0.042 0.000 2.397 734 R HA 0.266 4.598 4.340 -0.014 0.000 0.241 734 R C 0.252 176.531 176.300 -0.036 0.000 0.914 734 R CA -0.018 56.057 56.100 -0.041 0.000 1.071 734 R CB 0.473 30.752 30.300 -0.036 0.000 1.116 734 R HN 0.103 nan 8.270 nan 0.000 0.524 735 I N 2.488 123.018 120.570 -0.067 0.000 2.428 735 I HA 0.270 4.431 4.170 -0.014 0.000 0.279 735 I C -1.970 174.056 176.117 -0.151 0.000 1.040 735 I CA -2.536 58.730 61.300 -0.057 0.000 1.171 735 I CB 2.202 40.205 38.000 0.006 0.000 1.312 735 I HN -0.259 nan 8.210 nan 0.000 0.470 736 P HA -0.134 nan 4.420 nan 0.000 0.218 736 P C 1.189 178.397 177.300 -0.153 0.000 1.149 736 P CA 1.253 64.262 63.100 -0.151 0.000 0.817 736 P CB 0.315 31.958 31.700 -0.095 0.000 0.785 737 E N -0.935 119.212 120.200 -0.089 0.000 2.153 737 E HA -0.158 4.184 4.350 -0.014 0.000 0.194 737 E C 1.817 178.325 176.600 -0.154 0.000 0.988 737 E CA 0.677 57.040 56.400 -0.061 0.000 0.811 737 E CB -0.540 29.194 29.700 0.056 0.000 0.746 737 E HN 0.128 nan 8.360 nan 0.000 0.466 738 L N 1.159 122.206 121.223 -0.294 0.000 2.072 738 L HA -0.110 4.222 4.340 -0.014 0.000 0.205 738 L C 2.355 178.957 176.870 -0.447 0.000 1.079 738 L CA 1.571 56.074 54.840 -0.561 0.000 0.752 738 L CB -0.303 41.272 42.059 -0.806 0.000 0.906 738 L HN -0.095 nan 8.230 nan 0.000 0.436 739 R N -0.769 119.440 120.500 -0.484 0.000 2.096 739 R HA -0.262 4.070 4.340 -0.014 0.000 0.240 739 R C 2.405 178.536 176.300 -0.282 0.000 1.139 739 R CA 2.132 57.868 56.100 -0.608 0.000 0.952 739 R CB -0.386 29.491 30.300 -0.706 0.000 0.854 739 R HN 0.607 nan 8.270 nan 0.000 0.436 740 Q N 0.379 120.052 119.800 -0.212 0.000 2.061 740 Q HA -0.198 4.133 4.340 -0.014 0.000 0.204 740 Q C 2.083 178.028 176.000 -0.090 0.000 0.984 740 Q CA 2.110 57.833 55.803 -0.133 0.000 0.846 740 Q CB -0.130 28.532 28.738 -0.126 0.000 0.902 740 Q HN 0.487 nan 8.270 nan 0.000 0.421 741 I N 0.573 121.087 120.570 -0.094 0.000 2.179 741 I HA -0.282 3.879 4.170 -0.014 0.000 0.242 741 I C 2.099 178.234 176.117 0.030 0.000 1.088 741 I CA 0.638 61.921 61.300 -0.029 0.000 1.357 741 I CB -0.312 37.646 38.000 -0.069 0.000 1.051 741 I HN 0.308 nan 8.210 nan 0.000 0.409 742 I N 0.818 121.406 120.570 0.030 0.000 2.286 742 I HA -0.240 3.921 4.170 -0.014 0.000 0.248 742 I C 2.399 178.614 176.117 0.162 0.000 1.115 742 I CA 1.677 63.064 61.300 0.145 0.000 1.392 742 I CB -1.272 36.903 38.000 0.291 0.000 1.065 742 I HN 0.356 nan 8.210 nan 0.000 0.418 743 E N 0.225 120.497 120.200 0.120 0.000 2.107 743 E HA -0.190 4.152 4.350 -0.014 0.000 0.191 743 E C 2.171 178.834 176.600 0.105 0.000 0.982 743 E CA 0.640 57.107 56.400 0.112 0.000 0.809 743 E CB -0.052 29.688 29.700 0.068 0.000 0.756 743 E HN 0.563 nan 8.360 nan 0.000 0.459 744 Q N 0.568 120.413 119.800 0.075 0.000 2.050 744 Q HA -0.141 4.190 4.340 -0.014 0.000 0.202 744 Q C 2.354 178.535 176.000 0.302 0.000 0.980 744 Q CA 1.055 56.921 55.803 0.105 0.000 0.840 744 Q CB -0.067 28.655 28.738 -0.027 0.000 0.898 744 Q HN 0.290 nan 8.270 nan 0.000 0.424 745 L N 0.040 121.445 121.223 0.304 0.000 1.989 745 L HA -0.233 4.099 4.340 -0.014 0.000 0.211 745 L C 2.484 179.536 176.870 0.303 0.000 1.071 745 L CA 1.172 56.205 54.840 0.321 0.000 0.749 745 L CB -0.451 41.713 42.059 0.175 0.000 0.890 745 L HN 0.172 nan 8.230 nan 0.000 0.431 746 S N -0.366 115.468 115.700 0.224 0.000 2.368 746 S HA -0.155 4.306 4.470 -0.014 0.000 0.225 746 S C 2.072 176.776 174.600 0.173 0.000 1.030 746 S CA 1.546 59.858 58.200 0.187 0.000 0.999 746 S CB -0.224 63.066 63.200 0.151 0.000 0.844 746 S HN 0.618 nan 8.310 nan 0.000 0.459 747 S N 0.321 116.125 115.700 0.173 0.000 2.527 747 S HA 0.319 4.780 4.470 -0.014 0.000 0.222 747 S C 1.412 176.105 174.600 0.155 0.000 0.985 747 S CA 0.727 59.014 58.200 0.146 0.000 0.921 747 S CB -0.003 63.277 63.200 0.132 0.000 0.772 747 S HN 0.824 nan 8.310 nan 0.000 0.529 748 G N 0.472 109.398 108.800 0.210 0.000 2.131 748 G HA2 -0.257 3.695 3.960 -0.014 0.000 0.201 748 G HA3 -0.257 3.695 3.960 -0.014 0.000 0.201 748 G C 0.161 175.163 174.900 0.170 0.000 1.000 748 G CA 0.068 45.283 45.100 0.191 0.000 0.680 748 G HN 0.479 nan 8.290 nan 0.000 0.514 749 F N 0.268 120.233 119.950 0.024 0.000 2.161 749 F HA 0.174 4.692 4.527 -0.014 0.000 0.300 749 F C 1.867 177.475 175.800 -0.320 0.000 1.089 749 F CA 1.969 59.858 58.000 -0.184 0.000 1.282 749 F CB -0.029 38.787 39.000 -0.307 0.000 1.010 749 F HN 0.184 nan 8.300 nan 0.000 0.485 750 F N -0.402 119.699 119.950 0.252 0.000 2.693 750 F HA 0.201 4.720 4.527 -0.014 0.000 0.303 750 F C 0.561 176.486 175.800 0.208 0.000 1.097 750 F CA 0.221 58.326 58.000 0.175 0.000 1.330 750 F CB -0.090 39.008 39.000 0.163 0.000 1.067 750 F HN -0.046 nan 8.300 nan 0.000 0.565 751 S N -1.957 113.898 115.700 0.257 0.000 2.680 751 S HA 0.294 4.756 4.470 -0.014 0.000 0.140 751 S C -2.503 172.120 174.600 0.038 0.000 1.357 751 S CA -0.937 57.338 58.200 0.125 0.000 1.201 751 S CB 0.806 64.038 63.200 0.054 0.000 1.547 751 S HN -0.176 nan 8.310 nan 0.000 0.411 752 P HA -0.044 nan 4.420 nan 0.000 0.218 752 P C 1.097 178.386 177.300 -0.017 0.000 1.149 752 P CA 1.117 64.196 63.100 -0.036 0.000 0.817 752 P CB 0.108 31.758 31.700 -0.082 0.000 0.785 753 K N -0.974 119.417 120.400 -0.015 0.000 2.243 753 K HA 0.022 4.333 4.320 -0.014 0.000 0.201 753 K C 0.631 177.228 176.600 -0.005 0.000 1.051 753 K CA 0.771 57.052 56.287 -0.010 0.000 0.970 753 K CB 0.053 32.547 32.500 -0.009 0.000 0.755 753 K HN 0.297 nan 8.250 nan 0.000 0.465 754 Q N 0.269 120.064 119.800 -0.009 0.000 2.798 754 Q HA 0.160 4.492 4.340 -0.014 0.000 0.250 754 Q C -2.355 173.637 176.000 -0.013 0.000 1.006 754 Q CA -1.717 54.077 55.803 -0.015 0.000 0.759 754 Q CB 1.550 30.271 28.738 -0.028 0.000 1.201 754 Q HN -0.077 nan 8.270 nan 0.000 0.486 755 P HA -0.192 nan 4.420 nan 0.000 0.222 755 P C 0.499 177.835 177.300 0.060 0.000 1.147 755 P CA 1.273 64.401 63.100 0.047 0.000 0.790 755 P CB 0.235 31.964 31.700 0.047 0.000 0.780 756 D N -1.344 119.075 120.400 0.030 0.000 2.368 756 D HA 0.001 4.633 4.640 -0.014 0.000 0.218 756 D C 1.599 177.900 176.300 0.001 0.000 1.112 756 D CA -0.257 53.768 54.000 0.042 0.000 0.834 756 D CB -0.633 40.192 40.800 0.041 0.000 0.953 756 D HN 0.015 nan 8.370 nan 0.000 0.505 757 L N -0.033 121.127 121.223 -0.106 0.000 2.081 757 L HA -0.067 4.264 4.340 -0.014 0.000 0.212 757 L C 1.232 177.902 176.870 -0.333 0.000 1.080 757 L CA 1.681 56.341 54.840 -0.299 0.000 0.754 757 L CB -0.631 41.071 42.059 -0.595 0.000 0.893 757 L HN -0.014 nan 8.230 nan 0.000 0.433 758 F N -1.149 118.856 119.950 0.092 0.000 2.639 758 F HA 0.145 4.663 4.527 -0.014 0.000 0.300 758 F C 1.981 177.833 175.800 0.085 0.000 1.109 758 F CA -0.191 57.852 58.000 0.073 0.000 1.335 758 F CB -0.259 38.774 39.000 0.055 0.000 1.014 758 F HN 0.016 nan 8.300 nan 0.000 0.537 759 K N 0.929 121.448 120.400 0.198 0.000 2.063 759 K HA -0.210 4.101 4.320 -0.014 0.000 0.208 759 K C 1.201 177.902 176.600 0.169 0.000 1.048 759 K CA 2.049 58.435 56.287 0.165 0.000 0.928 759 K CB -0.103 32.469 32.500 0.120 0.000 0.713 759 K HN 0.173 nan 8.250 nan 0.000 0.442 760 D N 0.927 121.435 120.400 0.180 0.000 2.123 760 D HA -0.162 4.470 4.640 -0.014 0.000 0.196 760 D C 1.994 178.399 176.300 0.174 0.000 0.992 760 D CA 1.177 55.291 54.000 0.189 0.000 0.833 760 D CB -0.179 40.770 40.800 0.249 0.000 0.954 760 D HN 0.337 nan 8.370 nan 0.000 0.455 761 I N 0.403 121.080 120.570 0.178 0.000 2.202 761 I HA -0.215 3.946 4.170 -0.014 0.000 0.242 761 I C 2.432 178.612 176.117 0.104 0.000 1.091 761 I CA 0.612 61.989 61.300 0.128 0.000 1.368 761 I CB -0.239 37.831 38.000 0.117 0.000 1.058 761 I HN -0.106 nan 8.210 nan 0.000 0.410 762 V N 1.176 121.167 119.914 0.129 0.000 2.343 762 V HA -0.295 3.817 4.120 -0.014 0.000 0.247 762 V C 2.226 178.354 176.094 0.058 0.000 1.051 762 V CA 2.373 64.736 62.300 0.105 0.000 1.036 762 V CB -0.961 30.940 31.823 0.131 0.000 0.654 762 V HN 0.471 nan 8.190 nan 0.000 0.451 763 N N -0.200 118.565 118.700 0.109 0.000 2.120 763 N HA -0.201 4.531 4.740 -0.014 0.000 0.188 763 N C 1.852 177.444 175.510 0.137 0.000 1.024 763 N CA 1.685 54.831 53.050 0.160 0.000 0.852 763 N CB -0.266 38.357 38.487 0.226 0.000 1.003 763 N HN 0.312 nan 8.380 nan 0.000 0.424 764 M N -0.152 119.531 119.600 0.139 0.000 2.086 764 M HA -0.112 4.359 4.480 -0.014 0.000 0.261 764 M C 1.406 177.704 176.300 -0.004 0.000 1.067 764 M CA 1.314 56.695 55.300 0.136 0.000 1.116 764 M CB -0.658 32.022 32.600 0.135 0.000 1.348 764 M HN 0.208 nan 8.290 nan 0.000 0.407 765 L N 0.668 121.838 121.223 -0.089 0.000 2.042 765 L HA -0.215 4.116 4.340 -0.014 0.000 0.210 765 L C 2.462 179.045 176.870 -0.478 0.000 1.076 765 L CA 1.664 56.312 54.840 -0.319 0.000 0.749 765 L CB -1.173 40.723 42.059 -0.272 0.000 0.893 765 L HN 0.346 nan 8.230 nan 0.000 0.432 766 M N -1.859 117.517 119.600 -0.373 0.000 2.288 766 M HA -0.075 4.396 4.480 -0.014 0.000 0.266 766 M C 1.791 177.673 176.300 -0.697 0.000 1.072 766 M CA 1.460 56.425 55.300 -0.559 0.000 1.132 766 M CB -0.790 31.355 32.600 -0.758 0.000 1.386 766 M HN 0.343 nan 8.290 nan 0.000 0.432 767 H N -2.888 116.045 119.070 -0.228 0.000 3.400 767 H HA 0.250 4.797 4.556 -0.014 0.000 0.251 767 H C 0.194 175.154 175.328 -0.614 0.000 1.040 767 H CA 0.447 56.222 56.048 -0.455 0.000 1.175 767 H CB 0.398 29.787 29.762 -0.622 0.000 1.487 767 H HN 0.502 nan 8.280 nan 0.000 0.505 768 H N 0.182 119.308 119.070 0.093 0.000 2.924 768 H HA 0.139 4.686 4.556 -0.014 0.000 0.229 768 H C -0.738 174.614 175.328 0.039 0.000 1.345 768 H CA -0.318 55.773 56.048 0.073 0.000 1.044 768 H CB 0.961 30.770 29.762 0.077 0.000 2.221 768 H HN -0.016 nan 8.280 nan 0.000 0.574 769 D N 1.378 121.840 120.400 0.102 0.000 2.411 769 D HA 0.069 4.700 4.640 -0.014 0.000 0.225 769 D C 1.051 177.304 176.300 -0.079 0.000 1.156 769 D CA -0.364 53.662 54.000 0.044 0.000 0.874 769 D CB 0.676 41.483 40.800 0.011 0.000 1.034 769 D HN 0.376 nan 8.370 nan 0.000 0.502 770 R N 2.631 122.981 120.500 -0.249 0.000 2.237 770 R HA -0.056 4.276 4.340 -0.014 0.000 0.219 770 R C 0.517 176.306 176.300 -0.851 0.000 1.080 770 R CA 0.786 56.515 56.100 -0.618 0.000 0.995 770 R CB -0.024 29.728 30.300 -0.913 0.000 0.875 770 R HN 0.390 nan 8.270 nan 0.000 0.462 771 F N 0.665 120.578 119.950 -0.062 0.000 2.661 771 F HA 0.299 4.818 4.527 -0.014 0.000 0.306 771 F C 0.061 175.747 175.800 -0.189 0.000 1.094 771 F CA -0.792 57.160 58.000 -0.080 0.000 1.254 771 F CB 0.229 39.246 39.000 0.029 0.000 1.040 771 F HN -0.219 nan 8.300 nan 0.000 0.562 772 K N -0.377 119.841 120.400 -0.303 0.000 3.148 772 K HA -0.181 4.131 4.320 -0.014 0.000 0.267 772 K C 1.001 177.496 176.600 -0.175 0.000 0.996 772 K CA 0.229 56.164 56.287 -0.587 0.000 0.737 772 K CB -1.923 30.162 32.500 -0.693 0.000 1.308 772 K HN 0.214 nan 8.250 nan 0.000 0.470 773 V N -0.000 119.888 119.914 -0.044 0.000 2.252 773 V HA -0.309 3.802 4.120 -0.014 0.000 0.249 773 V C 1.965 178.203 176.094 0.240 0.000 1.056 773 V CA 2.427 64.776 62.300 0.082 0.000 1.022 773 V CB -0.522 31.345 31.823 0.074 0.000 0.641 773 V HN 0.488 nan 8.190 nan 0.000 0.445 774 F N 0.140 120.104 119.950 0.022 0.000 2.216 774 F HA -0.179 4.339 4.527 -0.015 0.000 0.300 774 F C 2.512 178.105 175.800 -0.345 0.000 1.085 774 F CA 0.638 58.591 58.000 -0.077 0.000 1.326 774 F CB -0.359 38.612 39.000 -0.048 0.000 1.027 774 F HN 0.208 nan 8.300 nan 0.000 0.497 775 A N -0.560 122.103 122.820 -0.261 0.000 2.015 775 A HA -0.179 4.133 4.320 -0.014 0.000 0.219 775 A C 1.461 179.029 177.584 -0.026 0.000 1.163 775 A CA 1.721 53.500 52.037 -0.431 0.000 0.646 775 A CB -0.424 18.487 19.000 -0.148 0.000 0.806 775 A HN 0.210 nan 8.150 nan 0.000 0.448 776 D N -2.700 117.752 120.400 0.087 0.000 2.369 776 D HA 0.086 4.717 4.640 -0.014 0.000 0.211 776 D C 1.151 177.612 176.300 0.267 0.000 1.077 776 D CA -0.014 54.113 54.000 0.211 0.000 0.842 776 D CB -0.093 40.850 40.800 0.239 0.000 0.947 776 D HN 0.595 nan 8.370 nan 0.000 0.509 777 Y N 2.033 122.411 120.300 0.130 0.000 2.114 777 Y HA -0.199 4.343 4.550 -0.014 0.000 0.284 777 Y C 2.077 178.058 175.900 0.135 0.000 1.143 777 Y CA 1.834 60.021 58.100 0.144 0.000 1.135 777 Y CB 0.179 38.695 38.460 0.093 0.000 0.980 777 Y HN -0.116 nan 8.280 nan 0.000 0.499 778 E N 0.070 120.325 120.200 0.092 0.000 2.038 778 E HA -0.249 4.093 4.350 -0.014 0.000 0.195 778 E C 2.161 178.727 176.600 -0.055 0.000 1.000 778 E CA 1.629 58.016 56.400 -0.022 0.000 0.803 778 E CB -0.207 29.581 29.700 0.146 0.000 0.750 778 E HN 0.634 nan 8.360 nan 0.000 0.448 779 E N -0.122 120.123 120.200 0.075 0.000 2.118 779 E HA -0.215 4.127 4.350 -0.014 0.000 0.195 779 E C 1.955 178.551 176.600 -0.006 0.000 0.992 779 E CA 0.910 57.377 56.400 0.113 0.000 0.804 779 E CB -0.175 29.684 29.700 0.264 0.000 0.741 779 E HN 0.279 nan 8.360 nan 0.000 0.458 780 Y N 1.387 121.496 120.300 -0.318 0.000 2.133 780 Y HA -0.223 4.318 4.550 -0.014 0.000 0.287 780 Y C 2.206 177.721 175.900 -0.642 0.000 1.134 780 Y CA 1.003 58.600 58.100 -0.837 0.000 1.133 780 Y CB -0.564 37.438 38.460 -0.764 0.000 0.987 780 Y HN -0.217 nan 8.280 nan 0.000 0.502 781 V N 1.118 120.674 119.914 -0.597 0.000 2.287 781 V HA -0.351 3.760 4.120 -0.014 0.000 0.248 781 V C 2.371 178.239 176.094 -0.378 0.000 1.053 781 V CA 2.424 64.394 62.300 -0.550 0.000 1.027 781 V CB -0.625 30.903 31.823 -0.492 0.000 0.646 781 V HN 0.359 nan 8.190 nan 0.000 0.447 782 K N -0.933 119.313 120.400 -0.257 0.000 2.057 782 K HA -0.217 4.095 4.320 -0.014 0.000 0.207 782 K C 2.299 178.813 176.600 -0.143 0.000 1.049 782 K CA 1.721 57.922 56.287 -0.144 0.000 0.931 782 K CB -0.680 31.783 32.500 -0.062 0.000 0.714 782 K HN 0.540 nan 8.250 nan 0.000 0.440 783 C N 1.737 120.929 119.300 -0.180 0.000 2.425 783 C HA -0.096 4.355 4.460 -0.014 0.000 0.277 783 C C 2.692 177.511 174.990 -0.285 0.000 1.280 783 C CA 0.846 59.788 59.018 -0.127 0.000 1.744 783 C CB -0.661 27.027 27.740 -0.086 0.000 1.989 783 C HN 0.420 nan 8.230 nan 0.000 0.491 784 Q N 0.394 119.883 119.800 -0.519 0.000 2.170 784 Q HA -0.163 4.168 4.340 -0.014 0.000 0.203 784 Q C 2.001 177.809 176.000 -0.320 0.000 0.976 784 Q CA 1.562 57.014 55.803 -0.585 0.000 0.858 784 Q CB -0.387 27.749 28.738 -1.004 0.000 0.907 784 Q HN 0.762 nan 8.270 nan 0.000 0.433 785 E N 0.214 120.286 120.200 -0.214 0.000 2.106 785 E HA -0.131 4.210 4.350 -0.014 0.000 0.192 785 E C 2.075 178.641 176.600 -0.056 0.000 0.984 785 E CA 0.542 56.879 56.400 -0.104 0.000 0.806 785 E CB -0.010 29.648 29.700 -0.071 0.000 0.750 785 E HN 0.262 nan 8.360 nan 0.000 0.458 786 R N 0.460 120.937 120.500 -0.039 0.000 2.115 786 R HA -0.079 4.252 4.340 -0.014 0.000 0.230 786 R C 2.419 178.761 176.300 0.069 0.000 1.111 786 R CA 0.854 57.006 56.100 0.086 0.000 0.976 786 R CB -0.285 30.141 30.300 0.210 0.000 0.870 786 R HN 0.065 nan 8.270 nan 0.000 0.445 787 V N 0.594 120.338 119.914 -0.283 0.000 2.295 787 V HA -0.245 3.866 4.120 -0.014 0.000 0.246 787 V C 2.212 178.298 176.094 -0.015 0.000 1.049 787 V CA 1.960 63.989 62.300 -0.452 0.000 1.024 787 V CB -0.407 31.006 31.823 -0.683 0.000 0.648 787 V HN 0.278 nan 8.190 nan 0.000 0.447 788 S N 0.051 115.712 115.700 -0.065 0.000 2.370 788 S HA -0.192 4.269 4.470 -0.014 0.000 0.226 788 S C 2.221 176.883 174.600 0.104 0.000 1.033 788 S CA 1.450 59.646 58.200 -0.007 0.000 1.011 788 S CB -0.521 62.651 63.200 -0.048 0.000 0.852 788 S HN 0.657 nan 8.310 nan 0.000 0.457 789 A N 1.263 124.148 122.820 0.109 0.000 1.883 789 A HA -0.083 4.229 4.320 -0.014 0.000 0.217 789 A C 2.125 179.831 177.584 0.203 0.000 1.186 789 A CA 1.522 53.644 52.037 0.142 0.000 0.624 789 A CB -0.775 18.298 19.000 0.122 0.000 0.822 789 A HN 0.427 nan 8.150 nan 0.000 0.444 790 L N -2.020 119.386 121.223 0.305 0.000 2.141 790 L HA -0.096 4.235 4.340 -0.014 0.000 0.209 790 L C 2.238 179.394 176.870 0.476 0.000 1.094 790 L CA 1.904 56.998 54.840 0.422 0.000 0.763 790 L CB -0.709 41.698 42.059 0.580 0.000 0.908 790 L HN 0.511 nan 8.230 nan 0.000 0.437 791 Y N 0.083 120.521 120.300 0.231 0.000 2.421 791 Y HA -0.199 4.344 4.550 -0.013 0.000 0.292 791 Y C 2.298 178.139 175.900 -0.099 0.000 1.136 791 Y CA 1.435 59.421 58.100 -0.190 0.000 1.255 791 Y CB -0.061 38.050 38.460 -0.581 0.000 0.991 791 Y HN 0.156 nan 8.280 nan 0.000 0.552 792 K N -0.022 120.432 120.400 0.090 0.000 2.360 792 K HA -0.154 4.158 4.320 -0.014 0.000 0.201 792 K C 0.348 176.937 176.600 -0.018 0.000 1.046 792 K CA 0.896 57.212 56.287 0.047 0.000 0.945 792 K CB -0.104 32.458 32.500 0.103 0.000 0.750 792 K HN 0.051 nan 8.250 nan 0.000 0.464 793 N N 0.218 118.924 118.700 0.010 0.000 2.898 793 N HA 0.139 4.870 4.740 -0.014 0.000 0.245 793 N C -2.450 173.067 175.510 0.011 0.000 1.185 793 N CA -2.265 50.794 53.050 0.015 0.000 0.879 793 N CB 1.169 39.694 38.487 0.063 0.000 1.157 793 N HN -0.202 nan 8.380 nan 0.000 0.503 794 P HA -0.178 nan 4.420 nan 0.000 0.216 794 P C 1.379 178.693 177.300 0.023 0.000 1.154 794 P CA 1.138 64.171 63.100 -0.112 0.000 0.865 794 P CB 0.410 32.018 31.700 -0.154 0.000 0.789 795 R N -0.085 120.427 120.500 0.019 0.000 2.081 795 R HA -0.144 4.187 4.340 -0.014 0.000 0.235 795 R C 1.964 178.305 176.300 0.068 0.000 1.131 795 R CA 1.368 57.489 56.100 0.036 0.000 0.960 795 R CB -0.310 30.003 30.300 0.021 0.000 0.856 795 R HN 0.084 nan 8.270 nan 0.000 0.436 796 E N -0.071 120.180 120.200 0.085 0.000 2.112 796 E HA -0.209 4.133 4.350 -0.014 0.000 0.190 796 E C 1.578 178.252 176.600 0.124 0.000 0.979 796 E CA 0.573 57.026 56.400 0.088 0.000 0.814 796 E CB -0.466 29.285 29.700 0.084 0.000 0.762 796 E HN 0.494 nan 8.360 nan 0.000 0.460 797 W N 2.221 123.522 121.300 0.000 0.000 2.317 797 W HA -0.222 4.429 4.660 -0.015 0.000 0.318 797 W C 1.651 178.178 176.519 0.013 0.000 1.227 797 W CA 2.269 59.628 57.345 0.024 0.000 1.269 797 W CB -0.477 28.965 29.460 -0.029 0.000 1.155 797 W HN 0.045 nan 8.180 nan 0.000 0.484 798 T N 1.079 115.765 114.554 0.220 0.000 2.788 798 T HA -0.167 4.175 4.350 -0.014 0.000 0.268 798 T C 1.844 176.550 174.700 0.010 0.000 1.044 798 T CA 1.704 63.865 62.100 0.103 0.000 1.139 798 T CB -0.292 68.624 68.868 0.080 0.000 0.867 798 T HN 0.179 nan 8.240 nan 0.000 0.454 799 R N 0.448 120.960 120.500 0.020 0.000 2.096 799 R HA 0.082 4.413 4.340 -0.014 0.000 0.235 799 R C 2.507 178.794 176.300 -0.021 0.000 1.127 799 R CA 1.230 57.341 56.100 0.018 0.000 0.968 799 R CB -0.338 29.979 30.300 0.029 0.000 0.861 799 R HN 0.361 nan 8.270 nan 0.000 0.440 800 M N 0.489 120.040 119.600 -0.082 0.000 2.175 800 M HA -0.150 4.322 4.480 -0.014 0.000 0.264 800 M C 1.945 178.152 176.300 -0.155 0.000 1.063 800 M CA 1.409 56.624 55.300 -0.142 0.000 1.119 800 M CB 0.142 32.600 32.600 -0.238 0.000 1.377 800 M HN -0.011 nan 8.290 nan 0.000 0.415 801 V N 0.982 120.779 119.914 -0.195 0.000 2.255 801 V HA -0.330 3.782 4.120 -0.014 0.000 0.247 801 V C 2.216 178.291 176.094 -0.033 0.000 1.051 801 V CA 2.188 64.410 62.300 -0.130 0.000 1.018 801 V CB -0.671 31.098 31.823 -0.090 0.000 0.641 801 V HN 0.515 nan 8.190 nan 0.000 0.445 802 I N -0.552 120.019 120.570 0.001 0.000 2.264 802 I HA -0.284 3.877 4.170 -0.014 0.000 0.248 802 I C 2.696 178.862 176.117 0.082 0.000 1.111 802 I CA 1.667 63.017 61.300 0.082 0.000 1.382 802 I CB -0.435 37.666 38.000 0.167 0.000 1.060 802 I HN 0.219 nan 8.210 nan 0.000 0.418 803 R N 0.375 120.900 120.500 0.042 0.000 2.148 803 R HA -0.098 4.233 4.340 -0.014 0.000 0.227 803 R C 2.027 178.357 176.300 0.050 0.000 1.103 803 R CA 1.122 57.246 56.100 0.040 0.000 0.983 803 R CB -0.408 29.900 30.300 0.014 0.000 0.874 803 R HN 0.540 nan 8.270 nan 0.000 0.451 804 N N 0.681 119.404 118.700 0.038 0.000 2.109 804 N HA -0.084 4.647 4.740 -0.014 0.000 0.188 804 N C 1.964 177.529 175.510 0.092 0.000 1.034 804 N CA 1.103 54.197 53.050 0.072 0.000 0.846 804 N CB -0.038 38.470 38.487 0.035 0.000 1.010 804 N HN 0.117 nan 8.380 nan 0.000 0.425 805 I N 1.669 122.282 120.570 0.073 0.000 2.208 805 I HA -0.251 3.911 4.170 -0.014 0.000 0.245 805 I C 2.471 178.635 176.117 0.080 0.000 1.097 805 I CA 0.972 62.320 61.300 0.080 0.000 1.363 805 I CB -0.344 37.697 38.000 0.068 0.000 1.051 805 I HN 0.099 nan 8.210 nan 0.000 0.413 806 A N 0.296 123.163 122.820 0.078 0.000 2.070 806 A HA -0.165 4.147 4.320 -0.014 0.000 0.220 806 A C 2.077 179.697 177.584 0.060 0.000 1.159 806 A CA 2.052 54.126 52.037 0.061 0.000 0.656 806 A CB -0.867 18.173 19.000 0.067 0.000 0.800 806 A HN 0.543 nan 8.150 nan 0.000 0.453 807 T N -2.865 111.739 114.554 0.084 0.000 3.176 807 T HA 0.191 4.532 4.350 -0.014 0.000 0.263 807 T C 1.151 175.944 174.700 0.155 0.000 1.021 807 T CA 0.620 62.775 62.100 0.091 0.000 0.905 807 T CB -0.174 68.746 68.868 0.088 0.000 1.057 807 T HN 0.477 nan 8.240 nan 0.000 0.558 808 S N 0.141 115.947 115.700 0.177 0.000 2.562 808 S HA 0.223 4.684 4.470 -0.014 0.000 0.221 808 S C 2.231 176.964 174.600 0.222 0.000 0.975 808 S CA 0.315 58.691 58.200 0.295 0.000 0.918 808 S CB -0.693 62.646 63.200 0.232 0.000 0.772 808 S HN 0.531 nan 8.310 nan 0.000 0.531 809 G N 2.681 111.533 108.800 0.087 0.000 2.469 809 G HA2 -0.312 3.639 3.960 -0.014 0.000 0.219 809 G HA3 -0.312 3.639 3.960 -0.014 0.000 0.219 809 G C 1.323 176.176 174.900 -0.078 0.000 1.150 809 G CA 1.097 46.213 45.100 0.025 0.000 0.763 809 G HN 0.613 nan 8.290 nan 0.000 0.561 810 K N -0.200 120.035 120.400 -0.274 0.000 2.218 810 K HA -0.057 4.254 4.320 -0.014 0.000 0.205 810 K C 1.251 177.513 176.600 -0.564 0.000 1.046 810 K CA 0.890 56.858 56.287 -0.533 0.000 0.933 810 K CB -0.270 31.705 32.500 -0.875 0.000 0.728 810 K HN 0.425 nan 8.250 nan 0.000 0.454 811 F N 0.637 120.616 119.950 0.049 0.000 2.645 811 F HA 0.153 4.671 4.527 -0.015 0.000 0.300 811 F C 0.723 176.567 175.800 0.073 0.000 1.115 811 F CA -0.625 57.410 58.000 0.059 0.000 1.355 811 F CB 0.503 39.534 39.000 0.052 0.000 1.026 811 F HN -0.129 nan 8.300 nan 0.000 0.536 812 S N 0.367 116.150 115.700 0.138 0.000 2.528 812 S HA 0.065 4.527 4.470 -0.014 0.000 0.277 812 S C 1.459 176.139 174.600 0.133 0.000 1.297 812 S CA -0.167 58.110 58.200 0.128 0.000 1.052 812 S CB 0.779 64.025 63.200 0.077 0.000 0.917 812 S HN 0.365 nan 8.310 nan 0.000 0.492 813 S N 3.408 119.212 115.700 0.174 0.000 2.507 813 S HA -0.093 4.369 4.470 -0.014 0.000 0.235 813 S C 0.987 175.641 174.600 0.090 0.000 0.988 813 S CA 0.800 59.123 58.200 0.205 0.000 0.944 813 S CB -0.371 63.028 63.200 0.333 0.000 0.762 813 S HN 0.794 nan 8.310 nan 0.000 0.526 814 D N 1.946 122.383 120.400 0.062 0.000 2.117 814 D HA -0.101 4.530 4.640 -0.014 0.000 0.197 814 D C 2.100 178.404 176.300 0.007 0.000 0.987 814 D CA 0.862 54.875 54.000 0.023 0.000 0.829 814 D CB -0.355 40.456 40.800 0.018 0.000 0.961 814 D HN 0.295 nan 8.370 nan 0.000 0.460 815 R N 0.797 121.303 120.500 0.010 0.000 2.073 815 R HA -0.097 4.234 4.340 -0.014 0.000 0.234 815 R C 1.942 178.234 176.300 -0.013 0.000 1.134 815 R CA 1.500 57.592 56.100 -0.013 0.000 0.952 815 R CB -0.857 29.422 30.300 -0.035 0.000 0.850 815 R HN 0.132 nan 8.270 nan 0.000 0.433 816 T N 2.261 116.831 114.554 0.026 0.000 2.635 816 T HA -0.145 4.196 4.350 -0.014 0.000 0.267 816 T C 1.934 176.642 174.700 0.013 0.000 1.040 816 T CA 1.508 63.644 62.100 0.059 0.000 1.156 816 T CB -0.150 68.832 68.868 0.189 0.000 0.863 816 T HN 0.115 nan 8.240 nan 0.000 0.430 817 I N 1.595 122.095 120.570 -0.116 0.000 2.315 817 I HA -0.090 4.072 4.170 -0.014 0.000 0.248 817 I C 2.935 179.011 176.117 -0.068 0.000 1.117 817 I CA 0.979 62.173 61.300 -0.176 0.000 1.404 817 I CB -1.631 36.256 38.000 -0.188 0.000 1.071 817 I HN 0.199 nan 8.210 nan 0.000 0.419 818 A N 0.267 123.064 122.820 -0.039 0.000 1.940 818 A HA -0.250 4.061 4.320 -0.014 0.000 0.219 818 A C 2.250 179.793 177.584 -0.070 0.000 1.176 818 A CA 1.567 53.587 52.037 -0.028 0.000 0.631 818 A CB -0.578 18.410 19.000 -0.019 0.000 0.814 818 A HN 0.523 nan 8.150 nan 0.000 0.446 819 Q N -1.879 117.861 119.800 -0.100 0.000 2.083 819 Q HA -0.160 4.171 4.340 -0.014 0.000 0.198 819 Q C 1.953 177.776 176.000 -0.295 0.000 0.969 819 Q CA 1.617 57.318 55.803 -0.170 0.000 0.838 819 Q CB -0.327 28.302 28.738 -0.180 0.000 0.900 819 Q HN 0.816 nan 8.270 nan 0.000 0.436 820 Y N 0.693 120.703 120.300 -0.483 0.000 2.114 820 Y HA -0.311 4.230 4.550 -0.015 0.000 0.282 820 Y C 2.499 177.820 175.900 -0.966 0.000 1.165 820 Y CA 1.326 58.881 58.100 -0.909 0.000 1.148 820 Y CB -0.453 37.142 38.460 -1.441 0.000 0.972 820 Y HN 0.169 nan 8.280 nan 0.000 0.504 821 A N 0.216 122.803 122.820 -0.389 0.000 1.883 821 A HA -0.222 4.089 4.320 -0.014 0.000 0.217 821 A C 2.234 179.827 177.584 0.016 0.000 1.186 821 A CA 2.040 54.095 52.037 0.031 0.000 0.624 821 A CB -0.548 18.554 19.000 0.171 0.000 0.822 821 A HN 0.434 nan 8.150 nan 0.000 0.444 822 R N -0.747 119.724 120.500 -0.050 0.000 2.093 822 R HA -0.012 4.319 4.340 -0.014 0.000 0.224 822 R C 1.801 178.075 176.300 -0.043 0.000 1.101 822 R CA 1.420 57.505 56.100 -0.025 0.000 0.979 822 R CB -0.140 30.142 30.300 -0.030 0.000 0.877 822 R HN 0.663 nan 8.270 nan 0.000 0.441 823 E N -0.459 119.674 120.200 -0.112 0.000 2.415 823 E HA 0.093 4.434 4.350 -0.014 0.000 0.197 823 E C 1.450 177.998 176.600 -0.086 0.000 1.007 823 E CA 0.432 56.771 56.400 -0.101 0.000 0.890 823 E CB 0.541 30.155 29.700 -0.143 0.000 0.891 823 E HN 0.281 nan 8.360 nan 0.000 0.496 824 I N -0.957 119.520 120.570 -0.155 0.000 3.570 824 I HA 0.019 4.180 4.170 -0.014 0.000 0.270 824 I C 1.387 177.629 176.117 0.209 0.000 1.162 824 I CA -0.047 61.220 61.300 -0.054 0.000 1.413 824 I CB 0.205 38.034 38.000 -0.286 0.000 1.437 824 I HN 0.109 nan 8.210 nan 0.000 0.457 825 W N 1.521 122.914 121.300 0.155 0.000 2.658 825 W HA 0.305 4.956 4.660 -0.014 0.000 0.263 825 W C 1.481 178.039 176.519 0.066 0.000 1.274 825 W CA 0.843 58.263 57.345 0.125 0.000 1.343 825 W CB -1.130 28.391 29.460 0.102 0.000 1.106 825 W HN 0.325 nan 8.180 nan 0.000 0.615 826 G N 1.171 110.111 108.800 0.233 0.000 2.256 826 G HA2 -0.098 3.853 3.960 -0.014 0.000 0.272 826 G HA3 -0.098 3.853 3.960 -0.014 0.000 0.272 826 G C -0.341 174.633 174.900 0.123 0.000 1.076 826 G CA 0.231 45.409 45.100 0.131 0.000 0.882 826 G HN 0.441 nan 8.290 nan 0.000 0.497 827 V N -4.258 115.747 119.914 0.153 0.000 2.925 827 V HA 0.892 5.003 4.120 -0.014 0.000 0.311 827 V C -0.348 175.807 176.094 0.101 0.000 1.104 827 V CA -1.694 60.678 62.300 0.121 0.000 0.954 827 V CB 2.345 34.249 31.823 0.136 0.000 1.022 827 V HN 0.133 nan 8.190 nan 0.000 0.427 828 E N 3.979 124.222 120.200 0.071 0.000 2.146 828 E HA 0.505 4.846 4.350 -0.014 0.000 0.282 828 E C -2.458 174.180 176.600 0.062 0.000 0.989 828 E CA -1.705 54.729 56.400 0.058 0.000 0.799 828 E CB 1.762 31.488 29.700 0.043 0.000 1.088 828 E HN 0.737 nan 8.360 nan 0.000 0.397 829 P HA 0.064 nan 4.420 nan 0.000 0.270 829 P C -0.507 176.822 177.300 0.048 0.000 1.223 829 P CA -0.276 62.858 63.100 0.057 0.000 0.785 829 P CB 0.828 32.556 31.700 0.048 0.000 0.923 830 S N 0.775 116.505 115.700 0.050 0.000 2.614 830 S HA 0.308 4.769 4.470 -0.014 0.000 0.288 830 S C 0.590 175.214 174.600 0.039 0.000 1.137 830 S CA -0.724 57.503 58.200 0.046 0.000 0.992 830 S CB 0.865 64.100 63.200 0.058 0.000 1.026 830 S HN 0.243 nan 8.310 nan 0.000 0.486 831 R N 2.321 122.840 120.500 0.031 0.000 2.317 831 R HA 0.166 4.497 4.340 -0.014 0.000 0.208 831 R C 0.118 176.429 176.300 0.018 0.000 0.914 831 R CA 0.188 56.305 56.100 0.028 0.000 1.060 831 R CB 0.020 30.336 30.300 0.027 0.000 1.015 831 R HN 0.703 nan 8.270 nan 0.000 0.498 832 Q N 0.943 120.753 119.800 0.017 0.000 2.364 832 Q HA 0.099 4.430 4.340 -0.014 0.000 0.267 832 Q C -0.212 175.780 176.000 -0.013 0.000 0.999 832 Q CA 0.433 56.239 55.803 0.004 0.000 0.886 832 Q CB 0.773 29.517 28.738 0.011 0.000 1.243 832 Q HN -0.070 nan 8.270 nan 0.000 0.415 833 R N 1.577 122.060 120.500 -0.028 0.000 2.410 833 R HA 0.354 4.685 4.340 -0.014 0.000 0.288 833 R C -0.327 175.929 176.300 -0.074 0.000 1.051 833 R CA -0.507 55.562 56.100 -0.051 0.000 1.021 833 R CB 0.622 30.891 30.300 -0.051 0.000 1.032 833 R HN 0.444 nan 8.270 nan 0.000 0.481 834 L N 3.409 124.568 121.223 -0.107 0.000 2.418 834 L HA 0.299 4.631 4.340 -0.014 0.000 0.265 834 L C -1.888 174.921 176.870 -0.102 0.000 1.143 834 L CA -2.156 52.593 54.840 -0.153 0.000 0.809 834 L CB 0.669 42.592 42.059 -0.227 0.000 1.124 834 L HN 0.269 nan 8.230 nan 0.000 0.456 835 P HA -0.028 nan 4.420 nan 0.000 0.261 835 P C -0.530 176.741 177.300 -0.048 0.000 1.173 835 P CA 0.133 63.201 63.100 -0.054 0.000 0.760 835 P CB 0.517 32.192 31.700 -0.042 0.000 0.783 836 A N 0.000 122.799 122.820 -0.036 0.000 2.254 836 A HA 0.000 4.311 4.320 -0.014 0.000 0.244 836 A CA 0.000 52.021 52.037 -0.027 0.000 0.836 836 A CB 0.000 18.985 19.000 -0.024 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486