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 2ec6_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNIDFNDPDF QYLAVDRKKM MKEQTAPFDG KKNCWVPDPK EGFASAEIQS DATA SEQUENCE SKGEEITVKI VSDNSTRTVK KDDIQQMNPP KFEKLEDMAN MTYLNEASVL DATA SEQUENCE NNLRGRYTAG LIYTYSGLFC IAVNPYRRLP IYTDSVIAKY RGKRKTEIPP DATA SEQUENCE HLFSVADNAY QNMVTDRENQ SCLITGESGA GKTENTKKVI MYLAKVACAV DATA SEQUENCE XXXXXEEEEA DQKKGSLEDQ IIQANPVLEA YGNAKTTRNN NSSRFGKFIR DATA SEQUENCE IHFGPTGKIA GADIETYLLE KSRVTYQQSA ERNYHIFYQI CXXXXPELNE DATA SEQUENCE VMLITPDSGL YSFINXXXLT VDNIDDVEEF KLCDEAFDIL GFTKEEKTSM DATA SEQUENCE FKCTASILHM GEMKFKQRPR EEQAESDGTA EAEKVAFLCG INAGDLLKAL DATA SEQUENCE LKPKVKXGTE MVTKXXNLQQ VINSVGALSK SLYDRMFNWL VKRVNRTLDT DATA SEQUENCE KAKRNYYIGV LDIAGFEIFD FNSFEQLCIN YTNERLQQFF NHHMFVLEQE DATA SEQUENCE EYKKEGIQWE FIDFGMDLQM CIDLIEKPMG ILSILEEECM FPKADDKSFQ DATA SEQUENCE DYSYQNHIGK NRMFTKPGKP TRPNQGHAHF ELHHYAGNVP YSIAGWLDKN DATA SEQUENCE KDPIXENVVS LLAVSKEPLV AELFRAXXXX XXXXXXXXXX XXXAFQTISA DATA SEQUENCE VHRESLNKLM KNLYSTHPHF VRCIIPNELK QPGLVDAELV LHQLQCNGVL DATA SEQUENCE EGIRICRKGF PSRLIYSEFK QRYSILAPNA IPQXXXDGKT VSEKILTGLQ DATA SEQUENCE MDPSEYRLGT TKVFFKAGVL GNLEEMRDER LSKIISMFQA HIRGYLIRKA DATA SEQUENCE YKKLQDQRIG LSVIQRNIRK WLVLRNWQWW KLYAKVKP 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.314 176.300 0.024 0.000 1.140 1 M CA 0.000 55.308 55.300 0.013 0.000 0.988 1 M CB 0.000 32.604 32.600 0.007 0.000 1.302 2 N N -1.787 116.932 118.700 0.031 0.000 3.594 2 N HA 0.534 5.285 4.740 0.019 0.000 0.262 2 N C -1.701 173.854 175.510 0.074 0.000 1.265 2 N CA -0.093 52.996 53.050 0.066 0.000 0.725 2 N CB 0.301 38.833 38.487 0.075 0.000 1.624 2 N HN 0.769 nan 8.380 nan 0.000 0.348 3 I N -0.875 119.783 120.570 0.146 0.000 2.601 3 I HA 0.370 4.551 4.170 0.019 0.000 0.302 3 I C -0.921 175.297 176.117 0.167 0.000 0.536 3 I CA 0.828 62.207 61.300 0.133 0.000 3.137 3 I CB 0.302 38.371 38.000 0.115 0.000 1.543 3 I HN 0.954 nan 8.210 nan 0.000 0.537 4 D N 0.035 120.644 120.400 0.348 0.000 2.896 4 D HA 0.401 5.052 4.640 0.019 0.000 0.326 4 D C -1.268 175.318 176.300 0.477 0.000 1.348 4 D CA -0.410 53.644 54.000 0.090 0.000 0.746 4 D CB 0.827 41.570 40.800 -0.096 0.000 1.307 4 D HN 0.304 nan 8.370 nan 0.000 0.447 5 F N -2.948 116.989 119.950 -0.021 0.000 2.680 5 F HA 0.443 4.981 4.527 0.019 0.000 0.314 5 F C -0.408 175.392 175.800 -0.000 0.000 1.055 5 F CA -0.832 57.159 58.000 -0.015 0.000 0.918 5 F CB -0.666 38.323 39.000 -0.018 0.000 1.363 5 F HN 0.837 nan 8.300 nan 0.000 0.501 6 N N 0.836 119.598 118.700 0.104 0.000 6.033 6 N HA 0.265 5.017 4.740 0.019 0.000 0.390 6 N C -0.615 174.885 175.510 -0.017 0.000 0.990 6 N CA 3.544 56.643 53.050 0.082 0.000 2.241 6 N CB -0.582 38.002 38.487 0.161 0.000 0.663 6 N HN 2.540 nan 8.380 nan 0.000 0.622 7 D N -2.147 118.270 120.400 0.029 0.000 2.904 7 D HA 0.040 4.691 4.640 0.019 0.000 0.180 7 D C -1.592 174.709 176.300 0.002 0.000 1.164 7 D CA 0.079 54.068 54.000 -0.018 0.000 0.726 7 D CB -1.740 38.995 40.800 -0.108 0.000 0.544 7 D HN 0.728 nan 8.370 nan 0.000 0.307 8 P HA 0.259 nan 4.420 nan 0.000 0.247 8 P C 0.692 178.134 177.300 0.236 0.000 1.225 8 P CA 1.169 64.320 63.100 0.087 0.000 0.768 8 P CB -1.036 30.717 31.700 0.088 0.000 1.020 9 D N 0.782 121.275 120.400 0.156 0.000 3.679 9 D HA -0.211 4.440 4.640 0.019 0.000 0.221 9 D C 0.175 176.599 176.300 0.206 0.000 1.008 9 D CA 0.058 54.148 54.000 0.148 0.000 1.735 9 D CB -1.932 38.927 40.800 0.099 0.000 1.225 9 D HN 0.116 nan 8.370 nan 0.000 0.541 10 F N 0.721 120.691 119.950 0.033 0.000 2.811 10 F HA 0.365 4.903 4.527 0.018 0.000 0.292 10 F C 2.583 178.362 175.800 -0.036 0.000 1.240 10 F CA 0.657 58.677 58.000 0.033 0.000 1.422 10 F CB -0.602 38.413 39.000 0.025 0.000 1.045 10 F HN 0.508 nan 8.300 nan 0.000 0.512 11 Q N 0.925 120.700 119.800 -0.042 0.000 2.378 11 Q HA -0.301 4.050 4.340 0.019 0.000 0.218 11 Q C 0.850 176.479 176.000 -0.618 0.000 1.007 11 Q CA 2.056 57.739 55.803 -0.200 0.000 0.955 11 Q CB -2.615 26.059 28.738 -0.108 0.000 0.952 11 Q HN 0.754 nan 8.270 nan 0.000 0.423 12 Y N -2.824 117.170 120.300 -0.510 0.000 3.078 12 Y HA 0.037 4.600 4.550 0.022 0.000 0.381 12 Y C 0.804 176.561 175.900 -0.239 0.000 1.155 12 Y CA -0.224 57.599 58.100 -0.460 0.000 1.574 12 Y CB -0.025 38.096 38.460 -0.566 0.000 1.034 12 Y HN 0.146 nan 8.280 nan 0.000 0.579 13 L N 4.146 125.399 121.223 0.051 0.000 2.645 13 L HA 0.202 4.554 4.340 0.019 0.000 0.235 13 L C 1.737 178.624 176.870 0.029 0.000 1.150 13 L CA 0.857 55.712 54.840 0.026 0.000 0.911 13 L CB -1.396 40.670 42.059 0.013 0.000 1.077 13 L HN 0.951 nan 8.230 nan 0.000 0.438 14 A N -0.217 122.639 122.820 0.060 0.000 3.559 14 A HA 0.436 4.767 4.320 0.019 0.000 0.145 14 A C 0.184 177.795 177.584 0.046 0.000 1.506 14 A CA 0.845 52.942 52.037 0.100 0.000 1.065 14 A CB -0.115 18.994 19.000 0.182 0.000 1.485 14 A HN 0.304 nan 8.150 nan 0.000 0.698 15 V N -4.233 115.713 119.914 0.053 0.000 2.653 15 V HA 0.644 4.775 4.120 0.019 0.000 0.298 15 V C -0.799 175.305 176.094 0.017 0.000 1.097 15 V CA 0.177 62.498 62.300 0.034 0.000 0.908 15 V CB 0.801 32.665 31.823 0.069 0.000 1.024 15 V HN 1.080 nan 8.190 nan 0.000 0.435 16 D N 3.260 123.649 120.400 -0.019 0.000 2.508 16 D HA 0.652 5.303 4.640 0.019 0.000 0.224 16 D C 1.191 177.488 176.300 -0.005 0.000 1.171 16 D CA 0.821 54.809 54.000 -0.021 0.000 1.006 16 D CB 0.497 41.273 40.800 -0.040 0.000 1.073 16 D HN 2.467 nan 8.370 nan 0.000 0.513 17 R N 1.077 121.583 120.500 0.010 0.000 3.795 17 R HA -0.135 4.216 4.340 0.019 0.000 0.417 17 R C 1.661 177.961 176.300 -0.001 0.000 1.081 17 R CA 1.110 57.214 56.100 0.006 0.000 1.031 17 R CB -3.153 27.145 30.300 -0.002 0.000 1.671 17 R HN 1.204 nan 8.270 nan 0.000 0.523 18 K N -0.645 119.760 120.400 0.008 0.000 2.914 18 K HA -0.349 3.982 4.320 0.019 0.000 0.253 18 K C 1.003 177.581 176.600 -0.035 0.000 0.986 18 K CA 2.503 58.788 56.287 -0.004 0.000 0.730 18 K CB -2.119 30.380 32.500 -0.002 0.000 1.228 18 K HN 1.817 nan 8.250 nan 0.000 0.483 19 K N -1.971 118.410 120.400 -0.031 0.000 2.081 19 K HA -0.362 3.969 4.320 0.019 0.000 0.150 19 K C 0.414 176.985 176.600 -0.048 0.000 0.905 19 K CA 1.953 58.214 56.287 -0.043 0.000 0.333 19 K CB -1.571 30.895 32.500 -0.058 0.000 0.733 19 K HN 0.137 nan 8.250 nan 0.000 0.766 20 M N 2.307 121.868 119.600 -0.065 0.000 3.224 20 M HA 0.061 4.552 4.480 0.019 0.000 0.188 20 M C 1.017 177.279 176.300 -0.062 0.000 1.319 20 M CA 0.820 56.081 55.300 -0.065 0.000 1.355 20 M CB -0.961 31.592 32.600 -0.079 0.000 1.588 20 M HN 0.397 nan 8.290 nan 0.000 0.426 21 M N 0.108 119.678 119.600 -0.050 0.000 2.906 21 M HA 0.178 4.670 4.480 0.019 0.000 0.252 21 M C 0.278 176.561 176.300 -0.028 0.000 1.359 21 M CA 0.724 56.000 55.300 -0.041 0.000 1.239 21 M CB -0.289 32.288 32.600 -0.037 0.000 1.229 21 M HN 0.114 nan 8.290 nan 0.000 0.547 22 K N 3.070 123.457 120.400 -0.022 0.000 2.347 22 K HA 0.504 4.836 4.320 0.019 0.000 0.262 22 K C -0.585 176.005 176.600 -0.016 0.000 1.052 22 K CA 0.051 56.329 56.287 -0.015 0.000 0.946 22 K CB 1.521 34.016 32.500 -0.008 0.000 1.220 22 K HN 0.177 nan 8.250 nan 0.000 0.450 23 E N 1.700 121.889 120.200 -0.018 0.000 2.239 23 E HA 0.227 4.588 4.350 0.019 0.000 0.261 23 E C -0.651 175.947 176.600 -0.004 0.000 1.016 23 E CA -0.688 55.704 56.400 -0.014 0.000 0.882 23 E CB 1.821 31.508 29.700 -0.021 0.000 1.190 23 E HN 0.485 nan 8.360 nan 0.000 0.415 24 Q N 0.923 120.724 119.800 0.003 0.000 2.533 24 Q HA 0.331 4.682 4.340 0.019 0.000 0.251 24 Q C -1.569 174.444 176.000 0.022 0.000 0.966 24 Q CA -0.181 55.629 55.803 0.010 0.000 0.714 24 Q CB 0.990 29.735 28.738 0.012 0.000 1.284 24 Q HN 0.547 nan 8.270 nan 0.000 0.478 25 T N 0.860 115.429 114.554 0.025 0.000 3.153 25 T HA 0.356 4.717 4.350 0.019 0.000 0.427 25 T C -1.452 173.286 174.700 0.063 0.000 1.464 25 T CA 0.368 62.496 62.100 0.047 0.000 1.005 25 T CB -0.019 68.886 68.868 0.063 0.000 1.594 25 T HN 0.706 nan 8.240 nan 0.000 0.444 26 A N 5.225 128.089 122.820 0.073 0.000 1.791 26 A HA 0.704 5.035 4.320 0.019 0.000 0.177 26 A C -1.511 176.137 177.584 0.106 0.000 1.851 26 A CA 0.591 52.660 52.037 0.055 0.000 1.130 26 A CB -0.940 18.071 19.000 0.018 0.000 0.958 26 A HN 0.627 nan 8.150 nan 0.000 0.637 27 P HA -0.297 nan 4.420 nan 0.000 0.225 27 P C 0.939 178.368 177.300 0.215 0.000 1.155 27 P CA 2.244 65.410 63.100 0.109 0.000 0.863 27 P CB -0.170 31.570 31.700 0.065 0.000 0.774 28 F N -1.305 118.638 119.950 -0.011 0.000 2.563 28 F HA -0.445 4.093 4.527 0.019 0.000 0.696 28 F C -0.258 175.529 175.800 -0.022 0.000 0.486 28 F CA 2.860 60.849 58.000 -0.017 0.000 0.701 28 F CB -1.675 37.319 39.000 -0.010 0.000 1.595 28 F HN 0.143 nan 8.300 nan 0.000 0.265 29 D N -1.703 118.612 120.400 -0.141 0.000 2.909 29 D HA 0.047 4.698 4.640 0.019 0.000 0.203 29 D C 0.584 176.610 176.300 -0.457 0.000 1.031 29 D CA 0.863 54.704 54.000 -0.264 0.000 0.813 29 D CB -1.654 38.986 40.800 -0.268 0.000 1.017 29 D HN 0.864 nan 8.370 nan 0.000 0.444 30 G N -0.191 108.479 108.800 -0.217 0.000 2.708 30 G HA2 -0.124 3.847 3.960 0.019 0.000 0.210 30 G HA3 -0.124 3.847 3.960 0.019 0.000 0.210 30 G C 1.248 176.155 174.900 0.012 0.000 1.141 30 G CA 0.520 45.611 45.100 -0.015 0.000 0.788 30 G HN 0.250 nan 8.290 nan 0.000 0.531 31 K N -0.747 119.629 120.400 -0.039 0.000 2.412 31 K HA 0.277 4.608 4.320 0.019 0.000 0.202 31 K C 1.963 178.525 176.600 -0.063 0.000 1.102 31 K CA -0.090 56.184 56.287 -0.021 0.000 1.027 31 K CB 0.537 33.033 32.500 -0.005 0.000 0.931 31 K HN -0.072 nan 8.250 nan 0.000 0.557 32 K N 1.111 121.442 120.400 -0.116 0.000 2.218 32 K HA 0.049 4.380 4.320 0.019 0.000 0.222 32 K C 1.346 177.840 176.600 -0.176 0.000 1.030 32 K CA 1.297 57.504 56.287 -0.134 0.000 0.946 32 K CB -0.488 31.927 32.500 -0.142 0.000 1.000 32 K HN 0.161 nan 8.250 nan 0.000 0.461 33 N N 0.364 118.887 118.700 -0.294 0.000 2.666 33 N HA -0.091 4.660 4.740 0.019 0.000 0.194 33 N C -0.219 175.094 175.510 -0.329 0.000 1.220 33 N CA 0.313 53.161 53.050 -0.335 0.000 0.928 33 N CB -0.390 37.812 38.487 -0.476 0.000 0.997 33 N HN -0.042 nan 8.380 nan 0.000 0.447 34 C N 1.927 121.065 119.300 -0.271 0.000 2.322 34 C HA 0.390 4.861 4.460 0.019 0.000 0.324 34 C C -0.354 174.587 174.990 -0.081 0.000 1.284 34 C CA -1.274 57.563 59.018 -0.302 0.000 1.606 34 C CB -1.089 26.417 27.740 -0.391 0.000 2.251 34 C HN 0.626 nan 8.230 nan 0.000 0.502 35 W N 5.346 126.632 121.300 -0.023 0.000 2.700 35 W HA 0.198 4.869 4.660 0.019 0.000 0.320 35 W C -0.015 176.534 176.519 0.051 0.000 0.942 35 W CA -0.160 57.197 57.345 0.019 0.000 1.117 35 W CB -1.238 28.255 29.460 0.056 0.000 1.086 35 W HN 0.614 nan 8.180 nan 0.000 0.541 36 V N 1.880 122.008 119.914 0.356 0.000 2.785 36 V HA 0.703 4.834 4.120 0.019 0.000 0.300 36 V C -2.080 174.171 176.094 0.262 0.000 1.062 36 V CA -2.567 59.873 62.300 0.234 0.000 1.029 36 V CB 1.338 33.248 31.823 0.146 0.000 1.024 36 V HN 0.593 nan 8.190 nan 0.000 0.477 37 P HA 0.668 nan 4.420 nan 0.000 0.304 37 P C -1.441 175.790 177.300 -0.116 0.000 1.385 37 P CA 0.077 63.221 63.100 0.073 0.000 0.896 37 P CB 1.608 33.437 31.700 0.215 0.000 0.958 38 D N 3.977 124.260 120.400 -0.195 0.000 2.694 38 D HA 0.321 4.973 4.640 0.019 0.000 0.260 38 D C -2.331 173.872 176.300 -0.161 0.000 1.250 38 D CA -1.107 52.804 54.000 -0.148 0.000 0.763 38 D CB 2.553 43.318 40.800 -0.059 0.000 1.311 38 D HN 0.079 nan 8.370 nan 0.000 0.420 39 P HA 0.106 nan 4.420 nan 0.000 0.247 39 P C 1.170 178.406 177.300 -0.107 0.000 1.024 39 P CA 1.253 64.267 63.100 -0.142 0.000 1.158 39 P CB 0.595 32.234 31.700 -0.102 0.000 0.992 40 K N 0.595 120.952 120.400 -0.072 0.000 2.527 40 K HA -0.248 4.083 4.320 0.019 0.000 0.207 40 K C 1.850 178.408 176.600 -0.069 0.000 0.978 40 K CA 2.650 58.903 56.287 -0.057 0.000 0.892 40 K CB -1.750 30.726 32.500 -0.040 0.000 1.104 40 K HN 0.267 nan 8.250 nan 0.000 0.508 41 E N -4.072 116.069 120.200 -0.098 0.000 2.633 41 E HA 0.268 4.629 4.350 0.019 0.000 0.214 41 E C 1.410 177.912 176.600 -0.164 0.000 0.898 41 E CA 1.142 57.487 56.400 -0.092 0.000 1.422 41 E CB 0.962 30.632 29.700 -0.049 0.000 1.398 41 E HN 0.818 nan 8.360 nan 0.000 0.752 42 G N 0.777 109.405 108.800 -0.288 0.000 5.005 42 G HA2 -0.272 3.699 3.960 0.019 0.000 0.251 42 G HA3 -0.272 3.699 3.960 0.019 0.000 0.251 42 G C 0.026 174.309 174.900 -1.028 0.000 1.536 42 G CA 0.216 44.938 45.100 -0.629 0.000 1.060 42 G HN 0.114 nan 8.290 nan 0.000 0.683 43 F N 0.523 120.337 119.950 -0.225 0.000 2.706 43 F HA 0.941 5.479 4.527 0.018 0.000 0.328 43 F C 0.353 176.044 175.800 -0.180 0.000 1.123 43 F CA -0.836 57.012 58.000 -0.254 0.000 0.978 43 F CB 1.640 40.331 39.000 -0.514 0.000 1.404 43 F HN 1.265 nan 8.300 nan 0.000 0.497 44 A N -0.113 122.842 122.820 0.225 0.000 2.555 44 A HA 0.629 4.960 4.320 0.019 0.000 0.297 44 A C -0.929 176.945 177.584 0.483 0.000 1.060 44 A CA -0.883 51.346 52.037 0.320 0.000 0.710 44 A CB 0.637 19.741 19.000 0.173 0.000 1.282 44 A HN 0.841 nan 8.150 nan 0.000 0.399 45 S N 0.382 116.389 115.700 0.511 0.000 2.550 45 S HA 0.500 4.981 4.470 0.019 0.000 0.285 45 S C 0.553 175.240 174.600 0.145 0.000 1.326 45 S CA 0.418 58.778 58.200 0.265 0.000 1.037 45 S CB 0.699 63.985 63.200 0.143 0.000 0.838 45 S HN 2.335 nan 8.310 nan 0.000 0.519 46 A N 0.821 123.667 122.820 0.042 0.000 2.483 46 A HA 0.764 5.095 4.320 0.019 0.000 0.306 46 A C -1.343 176.211 177.584 -0.050 0.000 1.137 46 A CA -0.782 51.265 52.037 0.017 0.000 0.626 46 A CB 0.642 19.677 19.000 0.057 0.000 1.352 46 A HN 0.614 nan 8.150 nan 0.000 0.508 47 E N -0.675 119.502 120.200 -0.039 0.000 2.355 47 E HA 0.834 5.195 4.350 0.019 0.000 0.261 47 E C -0.992 175.582 176.600 -0.044 0.000 0.943 47 E CA -0.374 55.988 56.400 -0.062 0.000 0.806 47 E CB 1.962 31.634 29.700 -0.046 0.000 1.286 47 E HN 0.686 nan 8.360 nan 0.000 0.424 48 I N 0.137 120.678 120.570 -0.049 0.000 3.343 48 I HA 0.467 4.649 4.170 0.019 0.000 0.315 48 I C -1.851 174.251 176.117 -0.025 0.000 1.153 48 I CA -0.517 60.764 61.300 -0.032 0.000 0.952 48 I CB 1.408 39.385 38.000 -0.039 0.000 1.287 48 I HN 0.709 nan 8.210 nan 0.000 0.472 49 Q N 2.418 122.208 119.800 -0.016 0.000 3.457 49 Q HA 0.042 4.393 4.340 0.019 0.000 0.132 49 Q C -1.671 174.325 176.000 -0.006 0.000 0.982 49 Q CA 0.168 55.963 55.803 -0.012 0.000 1.207 49 Q CB -0.940 27.790 28.738 -0.014 0.000 1.818 49 Q HN 0.778 nan 8.270 nan 0.000 0.594 50 S N -0.970 114.727 115.700 -0.005 0.000 2.518 50 S HA -0.031 4.451 4.470 0.019 0.000 0.174 50 S C 0.462 175.061 174.600 -0.002 0.000 0.802 50 S CA 0.141 58.340 58.200 -0.002 0.000 1.700 50 S CB -0.359 62.841 63.200 -0.000 0.000 1.216 50 S HN 1.126 nan 8.310 nan 0.000 0.574 51 S N 2.448 118.146 115.700 -0.003 0.000 2.796 51 S HA -0.136 4.345 4.470 0.019 0.000 0.277 51 S C 1.751 176.350 174.600 -0.000 0.000 0.872 51 S CA 1.568 59.767 58.200 -0.002 0.000 1.075 51 S CB -1.727 61.472 63.200 -0.002 0.000 0.727 51 S HN 1.085 nan 8.310 nan 0.000 0.480 52 K N 1.476 121.876 120.400 0.000 0.000 2.436 52 K HA -0.072 4.259 4.320 0.019 0.000 0.228 52 K C 2.030 178.631 176.600 0.002 0.000 0.733 52 K CA 1.848 58.136 56.287 0.001 0.000 0.930 52 K CB -1.480 31.022 32.500 0.002 0.000 0.423 52 K HN 0.606 nan 8.250 nan 0.000 0.939 53 G N -2.070 106.732 108.800 0.002 0.000 2.775 53 G HA2 0.407 4.378 3.960 0.019 0.000 0.198 53 G HA3 0.407 4.378 3.960 0.019 0.000 0.198 53 G C -0.366 174.536 174.900 0.003 0.000 1.121 53 G CA 1.127 46.229 45.100 0.003 0.000 0.686 53 G HN 0.760 nan 8.290 nan 0.000 0.782 54 E N -0.368 119.834 120.200 0.004 0.000 6.559 54 E HA 0.067 4.428 4.350 0.019 0.000 0.203 54 E C 0.171 176.773 176.600 0.005 0.000 0.998 54 E CA -0.014 56.388 56.400 0.004 0.000 1.460 54 E CB -0.645 29.057 29.700 0.004 0.000 0.870 54 E HN 0.321 nan 8.360 nan 0.000 0.306 55 E N -0.668 119.536 120.200 0.006 0.000 3.357 55 E HA -0.278 4.083 4.350 0.019 0.000 0.416 55 E C 0.498 177.102 176.600 0.007 0.000 1.565 55 E CA 2.575 58.980 56.400 0.008 0.000 1.422 55 E CB -0.713 28.992 29.700 0.008 0.000 1.536 55 E HN 0.725 nan 8.360 nan 0.000 0.459 56 I N -6.473 114.101 120.570 0.007 0.000 3.037 56 I HA 0.590 4.772 4.170 0.019 0.000 0.313 56 I C -1.362 174.758 176.117 0.005 0.000 1.577 56 I CA -0.236 61.067 61.300 0.006 0.000 0.926 56 I CB 2.127 40.132 38.000 0.009 0.000 1.307 56 I HN 0.268 nan 8.210 nan 0.000 0.568 57 T N 1.422 115.978 114.554 0.004 0.000 3.670 57 T HA 0.620 4.982 4.350 0.019 0.000 0.238 57 T C -0.923 173.779 174.700 0.004 0.000 0.793 57 T CA -0.099 62.004 62.100 0.005 0.000 1.523 57 T CB 0.207 69.077 68.868 0.004 0.000 0.854 57 T HN 0.835 nan 8.240 nan 0.000 0.591 58 V N -1.126 118.792 119.914 0.006 0.000 3.087 58 V HA 1.122 5.253 4.120 0.019 0.000 0.311 58 V C -0.158 175.942 176.094 0.010 0.000 1.333 58 V CA -0.902 61.400 62.300 0.003 0.000 1.054 58 V CB 1.420 33.241 31.823 -0.003 0.000 1.123 58 V HN 0.800 nan 8.190 nan 0.000 0.473 59 K N -0.301 120.105 120.400 0.010 0.000 3.040 59 K HA 0.611 4.942 4.320 0.019 0.000 0.300 59 K C -0.528 176.085 176.600 0.022 0.000 1.092 59 K CA -0.080 56.220 56.287 0.021 0.000 0.831 59 K CB -0.117 32.397 32.500 0.024 0.000 1.469 59 K HN 2.040 nan 8.250 nan 0.000 0.365 60 I N 0.430 121.024 120.570 0.041 0.000 3.628 60 I HA 0.082 4.263 4.170 0.019 0.000 0.277 60 I C 1.500 177.638 176.117 0.036 0.000 1.294 60 I CA 0.496 61.826 61.300 0.051 0.000 1.295 60 I CB 0.308 38.349 38.000 0.069 0.000 1.337 60 I HN 1.163 nan 8.210 nan 0.000 0.621 61 V N 1.948 121.889 119.914 0.045 0.000 4.690 61 V HA 0.342 4.474 4.120 0.019 0.000 0.267 61 V C 1.926 178.038 176.094 0.031 0.000 1.088 61 V CA 0.765 63.085 62.300 0.034 0.000 0.686 61 V CB -0.931 30.918 31.823 0.043 0.000 1.152 61 V HN 1.573 nan 8.190 nan 0.000 0.353 62 S N 0.234 115.951 115.700 0.030 0.000 4.006 62 S HA -0.413 4.068 4.470 0.019 0.000 0.537 62 S C 0.780 175.393 174.600 0.021 0.000 0.960 62 S CA 2.812 61.027 58.200 0.026 0.000 3.417 62 S CB -2.465 60.753 63.200 0.030 0.000 2.317 62 S HN 1.083 nan 8.310 nan 0.000 0.469 63 D N 2.743 123.157 120.400 0.023 0.000 1.774 63 D HA 0.433 5.085 4.640 0.019 0.000 0.240 63 D C 1.099 177.409 176.300 0.016 0.000 1.148 63 D CA 1.689 55.700 54.000 0.019 0.000 0.934 63 D CB -0.174 40.639 40.800 0.021 0.000 1.519 63 D HN 1.368 nan 8.370 nan 0.000 0.520 64 N N -3.299 115.410 118.700 0.015 0.000 5.453 64 N HA 0.035 4.786 4.740 0.019 0.000 0.355 64 N C -0.912 174.604 175.510 0.011 0.000 1.069 64 N CA 0.446 53.506 53.050 0.016 0.000 0.890 64 N CB -0.644 37.853 38.487 0.017 0.000 1.393 64 N HN 0.624 nan 8.380 nan 0.000 0.252 65 S N -2.648 113.058 115.700 0.010 0.000 3.856 65 S HA 0.761 5.242 4.470 0.019 0.000 0.290 65 S C -1.327 173.277 174.600 0.008 0.000 1.095 65 S CA 0.493 58.699 58.200 0.010 0.000 1.307 65 S CB 0.667 63.876 63.200 0.014 0.000 1.721 65 S HN 2.002 nan 8.310 nan 0.000 0.462 66 T N 0.525 115.085 114.554 0.009 0.000 2.890 66 T HA 0.238 4.600 4.350 0.019 0.000 0.465 66 T C -1.168 173.537 174.700 0.008 0.000 0.784 66 T CA -0.192 61.912 62.100 0.007 0.000 2.423 66 T CB -0.587 68.284 68.868 0.005 0.000 1.737 66 T HN 0.873 nan 8.240 nan 0.000 0.655 67 R N 1.049 121.555 120.500 0.010 0.000 2.739 67 R HA 0.821 5.172 4.340 0.019 0.000 0.271 67 R C -1.227 175.080 176.300 0.012 0.000 1.010 67 R CA -0.544 55.563 56.100 0.011 0.000 0.897 67 R CB 1.898 32.208 30.300 0.016 0.000 1.236 67 R HN 0.409 nan 8.270 nan 0.000 0.466 68 T N 1.600 116.160 114.554 0.011 0.000 2.881 68 T HA 0.550 4.911 4.350 0.019 0.000 0.291 68 T C -0.976 173.732 174.700 0.014 0.000 0.990 68 T CA -0.609 61.498 62.100 0.011 0.000 0.976 68 T CB 1.218 70.091 68.868 0.008 0.000 0.970 68 T HN 0.424 nan 8.240 nan 0.000 0.438 69 V N 0.144 120.068 119.914 0.017 0.000 3.145 69 V HA 1.071 5.202 4.120 0.019 0.000 0.311 69 V C -0.110 175.995 176.094 0.018 0.000 1.238 69 V CA -0.226 62.087 62.300 0.021 0.000 1.066 69 V CB 1.319 33.162 31.823 0.032 0.000 1.144 69 V HN 0.956 nan 8.190 nan 0.000 0.465 70 K N 0.351 120.763 120.400 0.020 0.000 3.690 70 K HA 0.678 5.009 4.320 0.019 0.000 0.291 70 K C 1.030 177.640 176.600 0.016 0.000 0.984 70 K CA 0.422 56.719 56.287 0.016 0.000 1.581 70 K CB -0.442 32.067 32.500 0.015 0.000 3.336 70 K HN 0.797 nan 8.250 nan 0.000 0.998 71 K N -0.122 120.287 120.400 0.015 0.000 2.502 71 K HA 0.127 4.458 4.320 0.019 0.000 0.211 71 K C 0.736 177.345 176.600 0.014 0.000 1.259 71 K CA 0.459 56.753 56.287 0.011 0.000 0.983 71 K CB 0.997 33.501 32.500 0.007 0.000 1.054 71 K HN 0.500 nan 8.250 nan 0.000 0.572 72 D N 1.486 121.899 120.400 0.021 0.000 2.360 72 D HA -0.070 4.581 4.640 0.019 0.000 0.210 72 D C 0.398 176.722 176.300 0.041 0.000 1.047 72 D CA 0.806 54.821 54.000 0.025 0.000 0.854 72 D CB 0.437 41.252 40.800 0.024 0.000 0.936 72 D HN 0.160 nan 8.370 nan 0.000 0.514 73 D N -0.649 119.779 120.400 0.047 0.000 2.433 73 D HA 0.014 4.666 4.640 0.019 0.000 0.211 73 D C 1.775 178.131 176.300 0.093 0.000 1.114 73 D CA -0.332 53.712 54.000 0.075 0.000 0.837 73 D CB -0.009 40.826 40.800 0.058 0.000 0.984 73 D HN 0.244 nan 8.370 nan 0.000 0.505 74 I N 0.355 120.962 120.570 0.062 0.000 2.185 74 I HA -0.114 4.067 4.170 0.019 0.000 0.235 74 I C 1.483 177.647 176.117 0.079 0.000 1.069 74 I CA 1.901 63.238 61.300 0.063 0.000 1.354 74 I CB -0.010 38.001 38.000 0.020 0.000 1.093 74 I HN 0.026 nan 8.210 nan 0.000 0.411 75 Q N -1.265 118.544 119.800 0.015 0.000 4.846 75 Q HA -0.306 4.045 4.340 0.019 0.000 0.255 75 Q C -0.355 175.582 176.000 -0.105 0.000 2.461 75 Q CA 1.413 57.202 55.803 -0.023 0.000 0.344 75 Q CB -0.691 28.045 28.738 -0.002 0.000 0.187 75 Q HN 0.720 nan 8.270 nan 0.000 0.596 76 Q N -1.151 118.635 119.800 -0.024 0.000 3.236 76 Q HA 0.041 4.392 4.340 0.019 0.000 0.027 76 Q C -1.287 174.630 176.000 -0.139 0.000 1.711 76 Q CA 0.874 56.564 55.803 -0.189 0.000 0.239 76 Q CB -0.431 27.991 28.738 -0.527 0.000 0.616 76 Q HN 0.487 nan 8.270 nan 0.000 0.322 77 M N 2.980 122.465 119.600 -0.190 0.000 2.213 77 M HA 0.216 4.707 4.480 0.019 0.000 0.243 77 M C -1.496 174.823 176.300 0.032 0.000 0.979 77 M CA -0.428 54.813 55.300 -0.099 0.000 1.037 77 M CB 1.340 33.767 32.600 -0.289 0.000 2.200 77 M HN 0.795 nan 8.290 nan 0.000 0.465 78 N N 3.968 122.761 118.700 0.154 0.000 2.597 78 N HA -0.166 4.586 4.740 0.019 0.000 0.306 78 N C -2.720 172.773 175.510 -0.027 0.000 1.337 78 N CA 0.457 53.522 53.050 0.025 0.000 0.850 78 N CB -0.537 37.968 38.487 0.030 0.000 1.032 78 N HN 0.304 nan 8.380 nan 0.000 0.511 79 P HA -0.047 nan 4.420 nan 0.000 0.269 79 P C -1.532 175.572 177.300 -0.327 0.000 1.205 79 P CA -0.814 61.753 63.100 -0.888 0.000 0.780 79 P CB 0.185 31.541 31.700 -0.573 0.000 0.858 80 P HA -0.196 nan 4.420 nan 0.000 0.219 80 P C 0.954 178.193 177.300 -0.102 0.000 1.144 80 P CA 1.806 64.837 63.100 -0.115 0.000 0.806 80 P CB -0.060 31.589 31.700 -0.086 0.000 0.771 81 K N -0.609 119.706 120.400 -0.143 0.000 2.743 81 K HA 0.018 4.350 4.320 0.019 0.000 0.219 81 K C -0.667 175.658 176.600 -0.460 0.000 1.003 81 K CA -0.012 56.125 56.287 -0.249 0.000 1.156 81 K CB -1.788 30.566 32.500 -0.243 0.000 0.932 81 K HN 0.111 nan 8.250 nan 0.000 0.490 82 F N -0.375 119.510 119.950 -0.108 0.000 2.554 82 F HA 0.172 4.710 4.527 0.019 0.000 0.387 82 F C -0.613 175.166 175.800 -0.035 0.000 1.462 82 F CA -0.808 57.154 58.000 -0.063 0.000 1.072 82 F CB 0.695 39.657 39.000 -0.063 0.000 1.894 82 F HN -0.093 nan 8.300 nan 0.000 0.506 83 E N 1.266 121.496 120.200 0.049 0.000 2.165 83 E HA 0.539 4.901 4.350 0.019 0.000 0.266 83 E C -0.556 176.063 176.600 0.031 0.000 0.889 83 E CA -0.874 55.556 56.400 0.050 0.000 0.756 83 E CB 1.050 30.761 29.700 0.017 0.000 1.131 83 E HN 0.134 nan 8.360 nan 0.000 0.411 84 K N 2.486 122.921 120.400 0.058 0.000 5.502 84 K HA -0.197 4.134 4.320 0.019 0.000 0.379 84 K C -0.407 176.204 176.600 0.018 0.000 0.908 84 K CA 0.941 57.251 56.287 0.039 0.000 1.130 84 K CB -1.207 31.303 32.500 0.017 0.000 1.893 84 K HN 0.561 nan 8.250 nan 0.000 0.379 85 L N -0.910 120.334 121.223 0.035 0.000 2.790 85 L HA 0.570 4.921 4.340 0.019 0.000 0.219 85 L C 1.063 177.944 176.870 0.019 0.000 2.006 85 L CA -0.715 54.134 54.840 0.014 0.000 2.500 85 L CB 0.430 42.504 42.059 0.026 0.000 2.732 85 L HN 0.258 nan 8.230 nan 0.000 0.605 86 E N -0.745 119.463 120.200 0.014 0.000 3.968 86 E HA -0.000 4.361 4.350 0.019 0.000 0.219 86 E C 1.135 177.778 176.600 0.071 0.000 1.310 86 E CA 0.112 56.520 56.400 0.014 0.000 1.622 86 E CB -0.248 29.388 29.700 -0.106 0.000 1.730 86 E HN 0.584 nan 8.360 nan 0.000 0.629 87 D N 1.002 121.402 120.400 0.001 0.000 2.228 87 D HA -0.155 4.496 4.640 0.019 0.000 0.203 87 D C 1.655 178.037 176.300 0.136 0.000 0.988 87 D CA 1.406 55.457 54.000 0.085 0.000 0.864 87 D CB -0.019 40.793 40.800 0.020 0.000 0.928 87 D HN 0.184 nan 8.370 nan 0.000 0.469 88 M N -1.992 117.674 119.600 0.110 0.000 2.783 88 M HA -0.436 4.055 4.480 0.019 0.000 0.140 88 M C 1.292 177.654 176.300 0.103 0.000 0.707 88 M CA 1.618 56.989 55.300 0.117 0.000 0.531 88 M CB -0.913 31.762 32.600 0.125 0.000 1.967 88 M HN 0.119 nan 8.290 nan 0.000 0.260 89 A N -0.168 122.707 122.820 0.092 0.000 1.898 89 A HA -0.043 4.289 4.320 0.019 0.000 0.216 89 A C 0.803 178.434 177.584 0.079 0.000 1.181 89 A CA 1.748 53.824 52.037 0.065 0.000 0.620 89 A CB -0.627 18.407 19.000 0.057 0.000 0.819 89 A HN 0.798 nan 8.150 nan 0.000 0.442 90 N N 0.222 118.973 118.700 0.085 0.000 2.498 90 N HA 0.376 5.128 4.740 0.019 0.000 0.277 90 N C -0.625 175.008 175.510 0.206 0.000 1.208 90 N CA 0.207 53.322 53.050 0.109 0.000 1.029 90 N CB -0.008 38.513 38.487 0.056 0.000 1.403 90 N HN 0.516 nan 8.380 nan 0.000 0.500 91 M N 1.790 121.526 119.600 0.227 0.000 2.387 91 M HA 0.073 4.564 4.480 0.019 0.000 0.215 91 M C -0.600 175.698 176.300 -0.003 0.000 0.973 91 M CA -0.324 55.129 55.300 0.254 0.000 0.924 91 M CB 1.155 33.864 32.600 0.182 0.000 2.471 91 M HN 0.263 nan 8.290 nan 0.000 0.445 92 T N 2.709 117.040 114.554 -0.372 0.000 2.724 92 T HA 0.201 4.562 4.350 0.019 0.000 0.324 92 T C -0.143 174.370 174.700 -0.312 0.000 1.071 92 T CA 1.004 62.793 62.100 -0.518 0.000 1.061 92 T CB 0.091 68.306 68.868 -1.089 0.000 0.990 92 T HN 0.678 nan 8.240 nan 0.000 0.543 93 Y N 0.526 120.696 120.300 -0.217 0.000 2.900 93 Y HA -0.158 4.403 4.550 0.019 0.000 0.146 93 Y C 0.499 176.348 175.900 -0.085 0.000 1.748 93 Y CA -0.607 57.411 58.100 -0.137 0.000 0.997 93 Y CB -1.230 37.132 38.460 -0.164 0.000 1.596 93 Y HN 0.435 nan 8.280 nan 0.000 0.335 94 L N 3.435 124.722 121.223 0.106 0.000 2.990 94 L HA 0.154 4.505 4.340 0.019 0.000 0.231 94 L C 0.582 177.470 176.870 0.029 0.000 1.341 94 L CA -0.280 54.592 54.840 0.053 0.000 1.208 94 L CB -0.350 41.730 42.059 0.033 0.000 1.571 94 L HN 0.428 nan 8.230 nan 0.000 0.453 95 N N -1.145 117.567 118.700 0.020 0.000 2.492 95 N HA 0.120 4.872 4.740 0.019 0.000 0.289 95 N C 0.494 175.966 175.510 -0.063 0.000 1.133 95 N CA -0.518 52.517 53.050 -0.026 0.000 0.961 95 N CB 1.535 39.989 38.487 -0.055 0.000 1.186 95 N HN 0.021 nan 8.380 nan 0.000 0.493 96 E N 1.391 121.554 120.200 -0.062 0.000 2.113 96 E HA -0.281 4.080 4.350 0.019 0.000 0.210 96 E C 1.716 178.202 176.600 -0.190 0.000 1.040 96 E CA 2.870 59.242 56.400 -0.047 0.000 0.847 96 E CB -0.575 29.153 29.700 0.046 0.000 0.755 96 E HN 0.787 nan 8.360 nan 0.000 0.459 97 A N 0.685 123.121 122.820 -0.639 0.000 1.832 97 A HA -0.179 4.152 4.320 0.019 0.000 0.214 97 A C 2.301 179.467 177.584 -0.698 0.000 1.204 97 A CA 2.186 53.272 52.037 -1.585 0.000 0.606 97 A CB -1.273 15.932 19.000 -2.992 0.000 0.849 97 A HN 0.317 nan 8.150 nan 0.000 0.445 98 S N 0.063 115.621 115.700 -0.237 0.000 2.412 98 S HA -0.286 4.195 4.470 0.019 0.000 0.246 98 S C 1.757 176.457 174.600 0.167 0.000 1.073 98 S CA 2.701 61.058 58.200 0.263 0.000 1.186 98 S CB -1.509 61.813 63.200 0.203 0.000 1.084 98 S HN 0.587 nan 8.310 nan 0.000 0.434 99 V N 3.253 123.201 119.914 0.056 0.000 2.289 99 V HA -0.300 3.831 4.120 0.019 0.000 0.243 99 V C 2.352 178.507 176.094 0.101 0.000 1.004 99 V CA 2.334 64.679 62.300 0.076 0.000 1.049 99 V CB -1.592 30.258 31.823 0.045 0.000 0.692 99 V HN 0.717 nan 8.190 nan 0.000 0.500 100 L N 0.550 121.814 121.223 0.068 0.000 2.502 100 L HA -0.427 3.925 4.340 0.019 0.000 0.248 100 L C 2.330 179.290 176.870 0.150 0.000 1.286 100 L CA 2.913 57.815 54.840 0.102 0.000 0.797 100 L CB -1.541 40.556 42.059 0.063 0.000 1.076 100 L HN 0.771 nan 8.230 nan 0.000 0.405 101 N N -0.295 118.497 118.700 0.153 0.000 2.341 101 N HA -0.350 4.401 4.740 0.019 0.000 0.204 101 N C 1.382 177.039 175.510 0.245 0.000 0.955 101 N CA 2.006 55.220 53.050 0.273 0.000 0.946 101 N CB -0.667 38.178 38.487 0.597 0.000 1.027 101 N HN 0.744 nan 8.380 nan 0.000 0.533 102 N N 0.321 119.143 118.700 0.204 0.000 2.449 102 N HA -0.042 4.709 4.740 0.019 0.000 0.191 102 N C 1.599 177.165 175.510 0.094 0.000 1.161 102 N CA 0.219 53.357 53.050 0.147 0.000 0.863 102 N CB 0.174 38.747 38.487 0.145 0.000 0.980 102 N HN 0.569 nan 8.380 nan 0.000 0.458 103 L N -3.233 118.055 121.223 0.108 0.000 2.758 103 L HA 0.348 4.699 4.340 0.019 0.000 0.234 103 L C 2.053 178.938 176.870 0.024 0.000 1.049 103 L CA -0.327 54.518 54.840 0.008 0.000 0.908 103 L CB -0.398 41.706 42.059 0.075 0.000 1.362 103 L HN -0.166 nan 8.230 nan 0.000 0.499 104 R N 1.353 122.063 120.500 0.350 0.000 2.073 104 R HA -0.038 4.313 4.340 0.019 0.000 0.234 104 R C 2.052 178.570 176.300 0.365 0.000 1.134 104 R CA 1.656 58.104 56.100 0.579 0.000 0.952 104 R CB -0.579 29.907 30.300 0.310 0.000 0.850 104 R HN 0.573 nan 8.270 nan 0.000 0.433 105 G N 0.508 109.427 108.800 0.198 0.000 2.740 105 G HA2 -0.190 3.782 3.960 0.019 0.000 0.208 105 G HA3 -0.190 3.782 3.960 0.019 0.000 0.208 105 G C 1.223 176.142 174.900 0.032 0.000 1.148 105 G CA 0.167 45.338 45.100 0.119 0.000 0.795 105 G HN 0.204 nan 8.290 nan 0.000 0.526 106 R N -1.211 119.260 120.500 -0.047 0.000 2.221 106 R HA 0.146 4.497 4.340 0.019 0.000 0.195 106 R C 1.683 177.880 176.300 -0.173 0.000 0.956 106 R CA 0.227 56.226 56.100 -0.168 0.000 1.064 106 R CB -0.370 29.766 30.300 -0.273 0.000 1.049 106 R HN 0.503 nan 8.270 nan 0.000 0.534 107 Y N 1.815 122.130 120.300 0.025 0.000 2.144 107 Y HA -0.068 4.492 4.550 0.018 0.000 0.279 107 Y C 2.522 178.419 175.900 -0.003 0.000 1.099 107 Y CA 1.460 59.572 58.100 0.020 0.000 1.087 107 Y CB -1.220 37.263 38.460 0.039 0.000 1.007 107 Y HN -0.081 nan 8.280 nan 0.000 0.482 108 T N -0.268 114.437 114.554 0.251 0.000 3.026 108 T HA -0.021 4.340 4.350 0.019 0.000 0.271 108 T C 0.952 175.676 174.700 0.040 0.000 1.149 108 T CA 1.016 63.184 62.100 0.114 0.000 1.088 108 T CB -0.561 68.370 68.868 0.105 0.000 0.857 108 T HN 0.386 nan 8.240 nan 0.000 0.551 109 A N 1.090 123.919 122.820 0.015 0.000 3.129 109 A HA 0.659 4.990 4.320 0.019 0.000 0.282 109 A C 0.947 178.451 177.584 -0.133 0.000 0.948 109 A CA -0.323 51.673 52.037 -0.069 0.000 1.027 109 A CB -0.466 18.508 19.000 -0.045 0.000 1.123 109 A HN 0.461 nan 8.150 nan 0.000 0.485 110 G N 1.112 109.834 108.800 -0.131 0.000 2.721 110 G HA2 0.150 4.121 3.960 0.019 0.000 0.342 110 G HA3 0.150 4.121 3.960 0.019 0.000 0.342 110 G C -0.250 174.571 174.900 -0.131 0.000 0.146 110 G CA 1.368 46.394 45.100 -0.124 0.000 1.204 110 G HN 1.474 nan 8.290 nan 0.000 0.499 111 L N 3.042 124.188 121.223 -0.130 0.000 3.285 111 L HA 0.336 4.687 4.340 0.019 0.000 0.232 111 L C -0.247 176.476 176.870 -0.244 0.000 0.996 111 L CA -0.436 54.282 54.840 -0.203 0.000 1.046 111 L CB 1.158 43.115 42.059 -0.171 0.000 1.549 111 L HN 0.951 nan 8.230 nan 0.000 0.427 112 I N 0.106 120.507 120.570 -0.282 0.000 3.768 112 I HA 0.303 4.485 4.170 0.019 0.000 0.328 112 I C -1.471 174.827 176.117 0.302 0.000 1.413 112 I CA -0.362 60.871 61.300 -0.112 0.000 1.003 112 I CB 0.785 38.783 38.000 -0.004 0.000 1.727 112 I HN 0.366 nan 8.210 nan 0.000 0.657 113 Y N 1.599 121.833 120.300 -0.109 0.000 2.447 113 Y HA 0.669 5.228 4.550 0.016 0.000 0.325 113 Y C 0.296 176.213 175.900 0.029 0.000 0.976 113 Y CA -1.507 56.559 58.100 -0.056 0.000 1.280 113 Y CB 1.316 39.713 38.460 -0.106 0.000 1.104 113 Y HN 0.062 nan 8.280 nan 0.000 0.486 114 T N 2.608 117.285 114.554 0.204 0.000 2.908 114 T HA 0.652 5.014 4.350 0.019 0.000 0.290 114 T C -1.012 173.861 174.700 0.289 0.000 1.034 114 T CA -0.276 61.966 62.100 0.236 0.000 1.010 114 T CB 0.848 69.806 68.868 0.151 0.000 1.068 114 T HN 0.229 nan 8.240 nan 0.000 0.481 115 Y N 1.092 121.441 120.300 0.083 0.000 2.374 115 Y HA 0.571 5.132 4.550 0.018 0.000 0.322 115 Y C 1.146 177.106 175.900 0.100 0.000 1.275 115 Y CA -0.776 57.385 58.100 0.101 0.000 1.307 115 Y CB 1.748 40.264 38.460 0.093 0.000 1.282 115 Y HN 0.578 nan 8.280 nan 0.000 0.509 116 S N 0.300 116.158 115.700 0.263 0.000 2.646 116 S HA 0.472 4.954 4.470 0.019 0.000 0.217 116 S C 0.225 174.888 174.600 0.106 0.000 0.836 116 S CA 0.339 58.631 58.200 0.153 0.000 1.094 116 S CB -0.842 62.430 63.200 0.119 0.000 1.557 116 S HN 1.272 nan 8.310 nan 0.000 0.449 117 G N 1.564 110.472 108.800 0.179 0.000 3.662 117 G HA2 -0.216 3.755 3.960 0.019 0.000 0.251 117 G HA3 -0.216 3.755 3.960 0.019 0.000 0.251 117 G C 0.115 175.158 174.900 0.239 0.000 1.815 117 G CA 0.276 45.464 45.100 0.147 0.000 1.373 117 G HN 0.613 nan 8.290 nan 0.000 0.571 118 L N 0.946 122.337 121.223 0.280 0.000 2.624 118 L HA 0.527 4.878 4.340 0.019 0.000 0.222 118 L C 1.236 178.311 176.870 0.342 0.000 1.046 118 L CA 0.036 55.086 54.840 0.351 0.000 0.872 118 L CB -0.363 42.022 42.059 0.543 0.000 1.190 118 L HN 0.347 nan 8.230 nan 0.000 0.487 119 F N 0.712 120.682 119.950 0.032 0.000 2.580 119 F HA -0.191 4.348 4.527 0.020 0.000 0.398 119 F C 1.039 176.755 175.800 -0.141 0.000 1.023 119 F CA -0.249 57.710 58.000 -0.069 0.000 1.188 119 F CB 0.369 39.292 39.000 -0.129 0.000 1.005 119 F HN 0.113 nan 8.300 nan 0.000 0.546 120 C N 8.236 127.471 119.300 -0.109 0.000 2.565 120 C HA 0.391 4.863 4.460 0.019 0.000 0.451 120 C C 0.708 175.600 174.990 -0.162 0.000 1.301 120 C CA -0.943 57.936 59.018 -0.232 0.000 1.638 120 C CB -2.399 25.159 27.740 -0.303 0.000 2.236 120 C HN 0.619 nan 8.230 nan 0.000 0.603 121 I N 3.166 123.700 120.570 -0.059 0.000 2.996 121 I HA 0.143 4.325 4.170 0.019 0.000 0.311 121 I C 0.766 176.848 176.117 -0.059 0.000 1.219 121 I CA 1.194 62.474 61.300 -0.033 0.000 1.452 121 I CB 0.319 38.349 38.000 0.051 0.000 1.319 121 I HN 0.660 nan 8.210 nan 0.000 0.564 122 A N 6.031 128.804 122.820 -0.078 0.000 2.566 122 A HA 0.739 5.070 4.320 0.019 0.000 0.297 122 A C -1.006 176.601 177.584 0.037 0.000 1.059 122 A CA -0.485 51.484 52.037 -0.113 0.000 0.691 122 A CB 1.424 20.093 19.000 -0.551 0.000 1.282 122 A HN 0.366 nan 8.150 nan 0.000 0.401 123 V N 1.194 121.236 119.914 0.213 0.000 3.096 123 V HA 0.484 4.615 4.120 0.019 0.000 0.319 123 V C 0.290 176.564 176.094 0.301 0.000 1.103 123 V CA -0.935 61.515 62.300 0.249 0.000 1.016 123 V CB 2.126 34.128 31.823 0.299 0.000 1.090 123 V HN 0.902 nan 8.190 nan 0.000 0.449 124 N N 2.543 121.421 118.700 0.296 0.000 2.469 124 N HA 0.353 5.104 4.740 0.019 0.000 0.253 124 N C -2.123 173.784 175.510 0.662 0.000 0.970 124 N CA -1.470 51.771 53.050 0.319 0.000 0.940 124 N CB 2.113 40.537 38.487 -0.106 0.000 1.128 124 N HN 0.415 nan 8.380 nan 0.000 0.503 125 P HA 0.023 nan 4.420 nan 0.000 0.264 125 P C -0.067 177.404 177.300 0.284 0.000 1.259 125 P CA 0.242 63.542 63.100 0.334 0.000 0.841 125 P CB -0.017 31.811 31.700 0.213 0.000 1.232 126 Y N -1.086 119.293 120.300 0.131 0.000 4.413 126 Y HA -0.269 4.291 4.550 0.016 0.000 0.205 126 Y C 0.088 176.046 175.900 0.096 0.000 1.045 126 Y CA -0.453 57.715 58.100 0.112 0.000 1.663 126 Y CB -3.389 35.125 38.460 0.090 0.000 1.552 126 Y HN 0.057 nan 8.280 nan 0.000 0.600 127 R N 1.347 121.944 120.500 0.161 0.000 2.486 127 R HA 0.517 4.868 4.340 0.019 0.000 0.286 127 R C 0.737 177.123 176.300 0.143 0.000 0.999 127 R CA -0.651 55.505 56.100 0.093 0.000 0.993 127 R CB 0.783 31.111 30.300 0.048 0.000 1.084 127 R HN 0.420 nan 8.270 nan 0.000 0.487 128 R N 3.761 124.340 120.500 0.131 0.000 3.585 128 R HA 0.211 4.562 4.340 0.019 0.000 0.324 128 R C -0.141 176.230 176.300 0.119 0.000 1.372 128 R CA -0.397 55.806 56.100 0.171 0.000 1.291 128 R CB -0.448 29.966 30.300 0.190 0.000 1.470 128 R HN 0.370 nan 8.270 nan 0.000 0.633 129 L N 0.096 121.346 121.223 0.045 0.000 2.557 129 L HA -0.048 4.303 4.340 0.019 0.000 0.308 129 L C -1.154 175.680 176.870 -0.061 0.000 1.283 129 L CA -0.936 53.873 54.840 -0.052 0.000 0.847 129 L CB -0.261 41.718 42.059 -0.134 0.000 1.088 129 L HN -0.001 nan 8.230 nan 0.000 0.537 130 P HA -0.180 nan 4.420 nan 0.000 0.229 130 P C 1.462 178.725 177.300 -0.061 0.000 1.147 130 P CA 0.628 63.695 63.100 -0.056 0.000 0.766 130 P CB -0.074 31.575 31.700 -0.086 0.000 0.775 131 I N -1.683 118.777 120.570 -0.183 0.000 2.094 131 I HA -0.257 3.924 4.170 0.019 0.000 0.236 131 I C 0.992 177.082 176.117 -0.045 0.000 1.016 131 I CA 1.568 62.702 61.300 -0.277 0.000 1.294 131 I CB -2.334 35.218 38.000 -0.748 0.000 1.006 131 I HN 0.093 nan 8.210 nan 0.000 0.397 132 Y N 2.168 122.664 120.300 0.326 0.000 2.585 132 Y HA 0.429 4.990 4.550 0.019 0.000 0.354 132 Y C 0.783 176.778 175.900 0.157 0.000 1.024 132 Y CA -0.225 58.057 58.100 0.304 0.000 1.321 132 Y CB 0.037 38.663 38.460 0.276 0.000 1.151 132 Y HN 0.118 nan 8.280 nan 0.000 0.525 133 T N -0.336 114.352 114.554 0.222 0.000 2.618 133 T HA 0.168 4.529 4.350 0.019 0.000 0.255 133 T C -0.159 174.592 174.700 0.086 0.000 0.988 133 T CA -0.643 61.536 62.100 0.132 0.000 1.221 133 T CB 1.083 70.014 68.868 0.105 0.000 1.674 133 T HN 0.511 nan 8.240 nan 0.000 0.448 134 D N 0.614 121.056 120.400 0.070 0.000 2.525 134 D HA 0.126 4.777 4.640 0.019 0.000 0.231 134 D C 0.782 177.122 176.300 0.067 0.000 1.216 134 D CA 0.186 54.216 54.000 0.050 0.000 0.813 134 D CB 0.337 41.150 40.800 0.020 0.000 1.108 134 D HN 0.388 nan 8.370 nan 0.000 0.524 135 S N -0.004 115.745 115.700 0.082 0.000 2.582 135 S HA 0.275 4.757 4.470 0.019 0.000 0.234 135 S C 1.264 175.936 174.600 0.119 0.000 0.961 135 S CA -0.292 57.957 58.200 0.082 0.000 0.953 135 S CB 0.719 63.961 63.200 0.071 0.000 0.800 135 S HN 0.017 nan 8.310 nan 0.000 0.471 136 V N 0.334 120.339 119.914 0.153 0.000 3.444 136 V HA 0.211 4.342 4.120 0.019 0.000 0.210 136 V C 1.868 178.151 176.094 0.315 0.000 1.217 136 V CA 0.301 62.750 62.300 0.248 0.000 1.302 136 V CB -0.703 31.287 31.823 0.279 0.000 1.341 136 V HN 0.413 nan 8.190 nan 0.000 0.522 137 I N 2.457 123.136 120.570 0.181 0.000 2.074 137 I HA -0.240 3.941 4.170 0.019 0.000 0.238 137 I C 1.771 177.979 176.117 0.151 0.000 1.037 137 I CA 2.009 63.340 61.300 0.053 0.000 1.301 137 I CB -0.600 37.328 38.000 -0.119 0.000 1.016 137 I HN 0.315 nan 8.210 nan 0.000 0.400 138 A N 0.410 123.289 122.820 0.098 0.000 3.558 138 A HA -0.114 4.218 4.320 0.019 0.000 0.265 138 A C 0.907 178.576 177.584 0.141 0.000 2.250 138 A CA 1.426 53.515 52.037 0.087 0.000 1.646 138 A CB -1.121 17.916 19.000 0.061 0.000 0.629 138 A HN 0.632 nan 8.150 nan 0.000 0.574 139 K N -1.629 118.903 120.400 0.221 0.000 2.443 139 K HA 0.191 4.522 4.320 0.019 0.000 0.367 139 K C -0.824 175.997 176.600 0.367 0.000 0.609 139 K CA -0.178 56.252 56.287 0.239 0.000 0.501 139 K CB -0.503 32.084 32.500 0.146 0.000 2.001 139 K HN 0.285 nan 8.250 nan 0.000 0.734 140 Y N 2.948 123.295 120.300 0.078 0.000 3.036 140 Y HA -0.260 4.302 4.550 0.021 0.000 0.215 140 Y C 0.956 176.872 175.900 0.027 0.000 1.214 140 Y CA 1.055 59.208 58.100 0.088 0.000 0.797 140 Y CB -1.598 36.969 38.460 0.179 0.000 1.223 140 Y HN 0.303 nan 8.280 nan 0.000 0.372 141 R N 0.823 121.398 120.500 0.125 0.000 2.080 141 R HA 0.262 4.614 4.340 0.019 0.000 0.222 141 R C 1.744 178.030 176.300 -0.024 0.000 1.107 141 R CA 1.094 57.199 56.100 0.008 0.000 0.980 141 R CB -0.378 29.933 30.300 0.019 0.000 0.879 141 R HN 0.576 nan 8.270 nan 0.000 0.439 142 G N 0.301 109.135 108.800 0.056 0.000 5.129 142 G HA2 0.139 4.110 3.960 0.019 0.000 0.253 142 G HA3 0.139 4.110 3.960 0.019 0.000 0.253 142 G C -0.786 174.180 174.900 0.109 0.000 0.912 142 G CA -0.640 44.508 45.100 0.079 0.000 0.729 142 G HN -0.027 nan 8.290 nan 0.000 0.373 143 K N 1.576 122.058 120.400 0.136 0.000 2.379 143 K HA 0.338 4.669 4.320 0.019 0.000 0.284 143 K C 0.392 177.092 176.600 0.165 0.000 1.044 143 K CA -0.019 56.338 56.287 0.117 0.000 0.974 143 K CB 1.295 33.834 32.500 0.064 0.000 0.962 143 K HN 0.281 nan 8.250 nan 0.000 0.474 144 R N 1.695 122.268 120.500 0.122 0.000 2.527 144 R HA 0.193 4.544 4.340 0.019 0.000 0.243 144 R C 1.289 177.667 176.300 0.131 0.000 1.206 144 R CA -0.801 55.387 56.100 0.147 0.000 1.134 144 R CB 0.368 30.739 30.300 0.118 0.000 1.347 144 R HN 0.393 nan 8.270 nan 0.000 0.580 145 K N 0.153 120.645 120.400 0.154 0.000 2.163 145 K HA -0.224 4.107 4.320 0.019 0.000 0.210 145 K C 1.356 177.889 176.600 -0.110 0.000 1.048 145 K CA 2.363 58.668 56.287 0.030 0.000 0.928 145 K CB -0.331 32.162 32.500 -0.012 0.000 0.716 145 K HN 0.543 nan 8.250 nan 0.000 0.459 146 T N 0.388 114.911 114.554 -0.051 0.000 3.060 146 T HA 0.049 4.410 4.350 0.019 0.000 0.249 146 T C 0.951 175.622 174.700 -0.048 0.000 1.079 146 T CA 0.198 62.257 62.100 -0.068 0.000 1.013 146 T CB 0.331 69.165 68.868 -0.056 0.000 0.975 146 T HN 0.200 nan 8.240 nan 0.000 0.518 147 E N 0.953 121.135 120.200 -0.029 0.000 2.437 147 E HA 0.194 4.556 4.350 0.019 0.000 0.189 147 E C -0.519 176.013 176.600 -0.114 0.000 1.054 147 E CA 0.193 56.563 56.400 -0.049 0.000 0.874 147 E CB 0.393 30.080 29.700 -0.022 0.000 1.011 147 E HN 0.295 nan 8.360 nan 0.000 0.474 148 I N 0.335 120.837 120.570 -0.113 0.000 2.728 148 I HA 0.113 4.294 4.170 0.019 0.000 0.286 148 I C -2.575 173.507 176.117 -0.057 0.000 1.623 148 I CA -1.814 59.381 61.300 -0.174 0.000 1.048 148 I CB 1.457 39.165 38.000 -0.487 0.000 1.474 148 I HN -0.220 nan 8.210 nan 0.000 0.439 149 P HA 0.129 nan 4.420 nan 0.000 0.278 149 P C -2.446 174.905 177.300 0.086 0.000 1.268 149 P CA -0.302 62.795 63.100 -0.005 0.000 0.813 149 P CB -0.415 31.289 31.700 0.007 0.000 1.180 150 P HA 0.166 nan 4.420 nan 0.000 0.272 150 P C -0.818 176.660 177.300 0.297 0.000 1.254 150 P CA 0.576 63.856 63.100 0.300 0.000 0.795 150 P CB 0.239 32.124 31.700 0.310 0.000 1.022 151 H N -2.622 116.566 119.070 0.197 0.000 2.894 151 H HA -0.036 4.530 4.556 0.017 0.000 0.217 151 H C 0.201 175.372 175.328 -0.261 0.000 1.240 151 H CA -0.636 55.367 56.048 -0.074 0.000 1.516 151 H CB -0.493 28.962 29.762 -0.513 0.000 1.740 151 H HN 0.138 nan 8.280 nan 0.000 0.405 152 L N 1.432 122.502 121.223 -0.255 0.000 2.313 152 L HA 0.066 4.417 4.340 0.019 0.000 0.214 152 L C 1.914 178.723 176.870 -0.102 0.000 1.119 152 L CA 0.743 55.481 54.840 -0.169 0.000 0.809 152 L CB -0.471 41.524 42.059 -0.107 0.000 0.933 152 L HN 0.469 nan 8.230 nan 0.000 0.449 153 F N 1.778 121.541 119.950 -0.311 0.000 2.380 153 F HA -0.246 4.292 4.527 0.019 0.000 0.299 153 F C 2.633 178.191 175.800 -0.404 0.000 1.064 153 F CA 0.462 58.014 58.000 -0.747 0.000 1.432 153 F CB -0.696 37.773 39.000 -0.886 0.000 1.089 153 F HN 0.282 nan 8.300 nan 0.000 0.562 154 S N 0.935 116.675 115.700 0.065 0.000 2.326 154 S HA -0.187 4.294 4.470 0.019 0.000 0.211 154 S C 2.201 176.844 174.600 0.071 0.000 1.031 154 S CA 0.994 59.306 58.200 0.186 0.000 0.985 154 S CB -1.292 62.096 63.200 0.313 0.000 0.961 154 S HN 0.335 nan 8.310 nan 0.000 0.436 155 V N 1.493 121.407 119.914 0.001 0.000 2.439 155 V HA -0.146 3.985 4.120 0.019 0.000 0.253 155 V C 2.399 178.388 176.094 -0.174 0.000 1.074 155 V CA 1.679 63.930 62.300 -0.082 0.000 1.076 155 V CB -1.802 29.941 31.823 -0.134 0.000 0.664 155 V HN 0.579 nan 8.190 nan 0.000 0.461 156 A N 0.606 123.305 122.820 -0.202 0.000 1.823 156 A HA -0.218 4.113 4.320 0.019 0.000 0.214 156 A C 2.247 179.776 177.584 -0.092 0.000 1.225 156 A CA 1.658 53.506 52.037 -0.315 0.000 0.604 156 A CB -1.202 17.247 19.000 -0.919 0.000 0.878 156 A HN 0.592 nan 8.150 nan 0.000 0.450 157 D N -0.005 120.303 120.400 -0.153 0.000 2.263 157 D HA -0.165 4.487 4.640 0.019 0.000 0.208 157 D C 1.055 177.450 176.300 0.158 0.000 0.971 157 D CA 1.637 55.681 54.000 0.073 0.000 0.867 157 D CB -0.140 40.723 40.800 0.105 0.000 0.929 157 D HN 0.684 nan 8.370 nan 0.000 0.492 158 N N -0.917 117.894 118.700 0.185 0.000 2.184 158 N HA 0.172 4.923 4.740 0.019 0.000 0.206 158 N C 1.175 176.860 175.510 0.292 0.000 1.151 158 N CA 0.322 53.518 53.050 0.244 0.000 0.878 158 N CB 0.445 39.071 38.487 0.231 0.000 1.014 158 N HN -0.006 nan 8.380 nan 0.000 0.512 159 A N -0.360 122.578 122.820 0.196 0.000 1.984 159 A HA 0.047 4.379 4.320 0.019 0.000 0.214 159 A C 1.785 179.477 177.584 0.178 0.000 1.173 159 A CA 0.320 52.422 52.037 0.108 0.000 0.673 159 A CB -0.782 17.834 19.000 -0.640 0.000 0.830 159 A HN 0.371 nan 8.150 nan 0.000 0.453 160 Y N 0.743 121.071 120.300 0.048 0.000 2.084 160 Y HA -0.238 4.323 4.550 0.017 0.000 0.279 160 Y C 2.505 178.500 175.900 0.158 0.000 1.119 160 Y CA 2.177 60.346 58.100 0.114 0.000 1.101 160 Y CB -1.054 37.505 38.460 0.165 0.000 0.989 160 Y HN 0.451 nan 8.280 nan 0.000 0.484 161 Q N 0.359 120.553 119.800 0.658 0.000 2.062 161 Q HA -0.341 4.010 4.340 0.019 0.000 0.209 161 Q C 1.950 178.132 176.000 0.302 0.000 0.996 161 Q CA 2.508 58.578 55.803 0.445 0.000 0.859 161 Q CB -0.501 28.394 28.738 0.261 0.000 0.920 161 Q HN 0.609 nan 8.270 nan 0.000 0.415 162 N N -0.549 118.313 118.700 0.270 0.000 2.184 162 N HA -0.133 4.619 4.740 0.019 0.000 0.190 162 N C 0.548 176.149 175.510 0.152 0.000 1.011 162 N CA 0.920 54.085 53.050 0.191 0.000 0.867 162 N CB -0.072 38.578 38.487 0.270 0.000 0.993 162 N HN 0.236 nan 8.380 nan 0.000 0.433 163 M N -0.230 119.479 119.600 0.180 0.000 2.157 163 M HA -0.032 4.459 4.480 0.019 0.000 0.304 163 M C 1.649 178.042 176.300 0.155 0.000 1.171 163 M CA 0.095 55.481 55.300 0.143 0.000 1.157 163 M CB 0.755 33.417 32.600 0.103 0.000 1.403 163 M HN 0.055 nan 8.290 nan 0.000 0.473 164 V N -1.078 118.925 119.914 0.147 0.000 0.657 164 V HA -0.431 3.700 4.120 0.019 0.000 0.092 164 V C 0.932 177.091 176.094 0.108 0.000 1.242 164 V CA 2.345 64.713 62.300 0.113 0.000 3.205 164 V CB -2.433 29.462 31.823 0.119 0.000 0.430 164 V HN 0.935 nan 8.190 nan 0.000 0.421 165 T N -0.079 114.550 114.554 0.124 0.000 2.716 165 T HA 0.240 4.601 4.350 0.019 0.000 0.335 165 T C 0.662 175.408 174.700 0.076 0.000 1.081 165 T CA 1.248 63.410 62.100 0.102 0.000 1.073 165 T CB 0.169 69.111 68.868 0.124 0.000 0.993 165 T HN 0.852 nan 8.240 nan 0.000 0.547 166 D N -0.317 120.113 120.400 0.049 0.000 4.508 166 D HA -0.228 4.423 4.640 0.019 0.000 0.178 166 D C 1.344 177.667 176.300 0.038 0.000 0.644 166 D CA 2.079 56.090 54.000 0.018 0.000 1.244 166 D CB -0.242 40.539 40.800 -0.032 0.000 0.727 166 D HN 0.567 nan 8.370 nan 0.000 0.495 167 R N -0.472 120.059 120.500 0.052 0.000 4.830 167 R HA -0.088 4.263 4.340 0.019 0.000 0.032 167 R C 0.064 176.445 176.300 0.134 0.000 0.812 167 R CA 0.730 56.885 56.100 0.093 0.000 2.328 167 R CB -0.955 29.396 30.300 0.084 0.000 0.964 167 R HN 0.445 nan 8.270 nan 0.000 0.476 168 E N 2.537 122.792 120.200 0.093 0.000 4.486 168 E HA -0.166 4.196 4.350 0.019 0.000 0.580 168 E C -0.534 176.039 176.600 -0.046 0.000 1.472 168 E CA 1.007 57.425 56.400 0.029 0.000 3.937 168 E CB -0.598 29.085 29.700 -0.028 0.000 1.059 168 E HN 0.539 nan 8.360 nan 0.000 0.307 169 N N 0.158 118.757 118.700 -0.168 0.000 2.321 169 N HA 0.245 4.997 4.740 0.019 0.000 0.299 169 N C -0.743 174.667 175.510 -0.167 0.000 1.048 169 N CA -0.763 52.120 53.050 -0.278 0.000 0.836 169 N CB 1.786 39.960 38.487 -0.523 0.000 1.269 169 N HN 0.263 nan 8.380 nan 0.000 0.486 170 Q N 0.545 120.235 119.800 -0.183 0.000 2.225 170 Q HA 0.699 5.050 4.340 0.019 0.000 0.177 170 Q C -0.302 175.666 176.000 -0.052 0.000 1.073 170 Q CA -0.191 55.601 55.803 -0.019 0.000 1.134 170 Q CB 0.632 29.354 28.738 -0.026 0.000 1.210 170 Q HN 0.863 nan 8.270 nan 0.000 0.599 171 S N -2.181 113.554 115.700 0.059 0.000 2.928 171 S HA 0.549 5.031 4.470 0.019 0.000 0.297 171 S C -1.790 172.828 174.600 0.029 0.000 1.251 171 S CA -0.253 57.984 58.200 0.063 0.000 1.189 171 S CB 0.456 63.645 63.200 -0.019 0.000 1.392 171 S HN 1.093 nan 8.310 nan 0.000 0.485 172 C N 2.062 121.309 119.300 -0.090 0.000 2.812 172 C HA 0.263 4.734 4.460 0.019 0.000 0.418 172 C C -2.515 172.339 174.990 -0.227 0.000 0.953 172 C CA -0.737 58.171 59.018 -0.183 0.000 1.066 172 C CB -1.428 26.231 27.740 -0.135 0.000 1.555 172 C HN 0.785 nan 8.230 nan 0.000 0.623 173 L N 6.296 127.308 121.223 -0.351 0.000 2.289 173 L HA 0.660 5.011 4.340 0.019 0.000 0.285 173 L C 0.251 177.007 176.870 -0.191 0.000 1.049 173 L CA -0.218 54.478 54.840 -0.240 0.000 0.804 173 L CB 1.461 43.412 42.059 -0.179 0.000 1.195 173 L HN 0.605 nan 8.230 nan 0.000 0.428 174 I N 2.384 122.867 120.570 -0.145 0.000 2.404 174 I HA 0.516 4.698 4.170 0.019 0.000 0.293 174 I C 0.410 176.450 176.117 -0.128 0.000 0.992 174 I CA -0.239 60.980 61.300 -0.136 0.000 1.149 174 I CB 1.646 39.582 38.000 -0.107 0.000 1.315 174 I HN 0.491 nan 8.210 nan 0.000 0.446 175 T N 3.108 117.577 114.554 -0.141 0.000 2.883 175 T HA 0.769 5.131 4.350 0.019 0.000 0.296 175 T C 0.365 175.002 174.700 -0.106 0.000 1.117 175 T CA -0.276 61.751 62.100 -0.122 0.000 1.006 175 T CB 2.323 71.101 68.868 -0.151 0.000 1.191 175 T HN 0.931 nan 8.240 nan 0.000 0.508 176 G N 0.972 109.726 108.800 -0.076 0.000 4.569 176 G HA2 0.172 4.143 3.960 0.019 0.000 0.221 176 G HA3 0.172 4.143 3.960 0.019 0.000 0.221 176 G C -0.188 174.692 174.900 -0.034 0.000 0.778 176 G CA -0.263 44.803 45.100 -0.056 0.000 1.115 176 G HN 0.671 nan 8.290 nan 0.000 0.774 177 E N -0.356 119.829 120.200 -0.024 0.000 9.198 177 E HA -0.191 4.170 4.350 0.019 0.000 0.446 177 E C 0.033 176.620 176.600 -0.021 0.000 1.403 177 E CA 1.295 57.691 56.400 -0.007 0.000 2.436 177 E CB -0.955 28.760 29.700 0.025 0.000 1.041 177 E HN 0.380 nan 8.360 nan 0.000 0.405 178 S N 1.187 116.880 115.700 -0.012 0.000 4.175 178 S HA 0.317 4.798 4.470 0.019 0.000 0.193 178 S C 0.558 175.137 174.600 -0.035 0.000 1.373 178 S CA 0.199 58.385 58.200 -0.022 0.000 0.908 178 S CB 0.362 63.558 63.200 -0.008 0.000 1.547 178 S HN 0.596 nan 8.310 nan 0.000 0.440 179 G N 0.994 109.759 108.800 -0.058 0.000 2.691 179 G HA2 0.553 4.525 3.960 0.019 0.000 0.169 179 G HA3 0.553 4.525 3.960 0.019 0.000 0.169 179 G C 0.759 175.565 174.900 -0.157 0.000 1.638 179 G CA 0.286 45.324 45.100 -0.104 0.000 0.822 179 G HN 0.606 nan 8.290 nan 0.000 0.768 180 A N 0.061 122.786 122.820 -0.157 0.000 2.810 180 A HA 0.237 4.569 4.320 0.019 0.000 0.463 180 A C 1.426 178.928 177.584 -0.136 0.000 0.923 180 A CA 2.776 54.724 52.037 -0.147 0.000 1.655 180 A CB -1.323 17.634 19.000 -0.071 0.000 0.827 180 A HN 2.226 nan 8.150 nan 0.000 0.539 181 G N -2.689 106.063 108.800 -0.080 0.000 2.532 181 G HA2 0.514 4.485 3.960 0.019 0.000 0.300 181 G HA3 0.514 4.485 3.960 0.019 0.000 0.300 181 G C -0.102 174.761 174.900 -0.062 0.000 1.911 181 G CA 0.412 45.474 45.100 -0.063 0.000 0.948 181 G HN 0.539 nan 8.290 nan 0.000 0.453 182 K N 0.456 120.818 120.400 -0.063 0.000 2.365 182 K HA 0.043 4.374 4.320 0.019 0.000 0.195 182 K C 2.128 178.696 176.600 -0.054 0.000 1.079 182 K CA 0.719 56.966 56.287 -0.065 0.000 0.979 182 K CB 0.416 32.873 32.500 -0.070 0.000 0.929 182 K HN 0.353 nan 8.250 nan 0.000 0.523 183 T N 2.095 116.622 114.554 -0.046 0.000 2.869 183 T HA -0.197 4.164 4.350 0.019 0.000 0.270 183 T C 0.875 175.556 174.700 -0.032 0.000 1.082 183 T CA 1.427 63.509 62.100 -0.030 0.000 1.123 183 T CB -0.347 68.507 68.868 -0.023 0.000 0.856 183 T HN 0.487 nan 8.240 nan 0.000 0.499 184 E N 0.142 120.314 120.200 -0.047 0.000 2.493 184 E HA 0.502 4.863 4.350 0.019 0.000 0.243 184 E C 0.136 176.698 176.600 -0.064 0.000 0.875 184 E CA -0.786 55.580 56.400 -0.057 0.000 0.872 184 E CB 0.735 30.389 29.700 -0.077 0.000 1.476 184 E HN 0.020 nan 8.360 nan 0.000 0.394 185 N N -1.028 117.628 118.700 -0.074 0.000 2.858 185 N HA -0.276 4.476 4.740 0.019 0.000 0.221 185 N C 1.173 176.655 175.510 -0.047 0.000 0.175 185 N CA 3.025 56.041 53.050 -0.056 0.000 4.001 185 N CB -2.027 36.420 38.487 -0.066 0.000 0.946 185 N HN 0.593 nan 8.380 nan 0.000 0.234 186 T N 0.064 114.587 114.554 -0.051 0.000 2.897 186 T HA -0.166 4.195 4.350 0.019 0.000 0.271 186 T C 1.478 176.159 174.700 -0.032 0.000 1.084 186 T CA 1.779 63.854 62.100 -0.041 0.000 1.123 186 T CB 0.003 68.850 68.868 -0.036 0.000 0.865 186 T HN 0.387 nan 8.240 nan 0.000 0.496 187 K N 0.673 121.050 120.400 -0.038 0.000 2.286 187 K HA 0.177 4.508 4.320 0.019 0.000 0.203 187 K C 2.226 178.800 176.600 -0.044 0.000 1.078 187 K CA 0.235 56.501 56.287 -0.035 0.000 0.957 187 K CB 0.057 32.534 32.500 -0.038 0.000 1.018 187 K HN 0.050 nan 8.250 nan 0.000 0.484 188 K N 1.347 121.704 120.400 -0.070 0.000 2.280 188 K HA -0.074 4.257 4.320 0.019 0.000 0.202 188 K C 1.544 178.130 176.600 -0.023 0.000 1.047 188 K CA 1.033 57.263 56.287 -0.095 0.000 0.942 188 K CB 0.041 32.424 32.500 -0.195 0.000 0.739 188 K HN 0.147 nan 8.250 nan 0.000 0.457 189 V N -1.392 118.522 119.914 -0.001 0.000 5.419 189 V HA 0.076 4.207 4.120 0.019 0.000 0.270 189 V C 1.679 177.797 176.094 0.040 0.000 1.335 189 V CA 0.388 62.708 62.300 0.033 0.000 0.646 189 V CB -0.630 31.192 31.823 -0.001 0.000 1.265 189 V HN 0.476 nan 8.190 nan 0.000 0.359 190 I N -3.258 117.342 120.570 0.050 0.000 4.725 190 I HA -0.507 3.674 4.170 0.019 0.000 0.048 190 I C 2.229 178.379 176.117 0.054 0.000 0.627 190 I CA 2.797 64.125 61.300 0.046 0.000 0.644 190 I CB -1.974 36.034 38.000 0.014 0.000 0.612 190 I HN 0.598 nan 8.210 nan 0.000 0.159 191 M N -0.091 119.522 119.600 0.022 0.000 2.190 191 M HA -0.288 4.204 4.480 0.019 0.000 0.252 191 M C 2.301 178.593 176.300 -0.013 0.000 1.076 191 M CA 3.066 58.363 55.300 -0.006 0.000 1.079 191 M CB -1.604 30.983 32.600 -0.022 0.000 1.303 191 M HN 0.670 nan 8.290 nan 0.000 0.412 192 Y N 1.468 121.697 120.300 -0.120 0.000 2.181 192 Y HA -0.224 4.336 4.550 0.016 0.000 0.253 192 Y C 2.321 178.200 175.900 -0.034 0.000 1.066 192 Y CA 1.848 59.854 58.100 -0.156 0.000 1.060 192 Y CB -0.867 37.445 38.460 -0.247 0.000 1.002 192 Y HN 0.028 nan 8.280 nan 0.000 0.475 193 L N 0.854 122.359 121.223 0.469 0.000 2.232 193 L HA -0.367 3.984 4.340 0.019 0.000 0.219 193 L C 2.469 179.467 176.870 0.214 0.000 1.086 193 L CA 2.250 57.320 54.840 0.383 0.000 0.789 193 L CB -1.836 40.353 42.059 0.216 0.000 0.890 193 L HN 0.477 nan 8.230 nan 0.000 0.441 194 A N -0.944 121.943 122.820 0.111 0.000 1.850 194 A HA -0.095 4.236 4.320 0.019 0.000 0.212 194 A C 2.253 179.842 177.584 0.008 0.000 1.208 194 A CA 0.977 53.054 52.037 0.066 0.000 0.609 194 A CB -0.305 18.717 19.000 0.038 0.000 0.860 194 A HN 0.293 nan 8.150 nan 0.000 0.448 195 K N 0.026 120.388 120.400 -0.064 0.000 2.107 195 K HA -0.163 4.168 4.320 0.019 0.000 0.211 195 K C 1.579 178.119 176.600 -0.100 0.000 1.049 195 K CA 1.802 58.020 56.287 -0.115 0.000 0.927 195 K CB -0.810 31.557 32.500 -0.222 0.000 0.714 195 K HN 0.375 nan 8.250 nan 0.000 0.452 196 V N 0.292 120.145 119.914 -0.102 0.000 3.649 196 V HA 0.063 4.194 4.120 0.019 0.000 0.275 196 V C 1.916 178.124 176.094 0.190 0.000 1.281 196 V CA 0.889 63.204 62.300 0.025 0.000 1.143 196 V CB -0.028 31.788 31.823 -0.012 0.000 0.892 196 V HN 0.247 nan 8.190 nan 0.000 0.441 197 A N -1.505 121.384 122.820 0.114 0.000 1.924 197 A HA -0.027 4.304 4.320 0.019 0.000 0.211 197 A C 1.647 179.236 177.584 0.007 0.000 1.198 197 A CA 1.131 53.216 52.037 0.079 0.000 0.657 197 A CB -0.274 18.794 19.000 0.114 0.000 0.852 197 A HN 0.524 nan 8.150 nan 0.000 0.454 198 C N -0.029 119.273 119.300 0.005 0.000 2.624 198 C HA 0.716 5.187 4.460 0.019 0.000 0.263 198 C C 1.121 176.102 174.990 -0.014 0.000 1.587 198 C CA 0.032 59.041 59.018 -0.015 0.000 1.718 198 C CB -0.905 26.824 27.740 -0.018 0.000 3.050 198 C HN 0.566 nan 8.230 nan 0.000 0.517 199 A N 0.546 123.362 122.820 -0.007 0.000 2.605 199 A HA 0.478 4.809 4.320 0.019 0.000 0.292 199 A C 0.479 178.064 177.584 0.002 0.000 1.055 199 A CA 0.069 52.099 52.037 -0.012 0.000 0.969 199 A CB -0.085 18.897 19.000 -0.029 0.000 1.236 199 A HN 0.327 nan 8.150 nan 0.000 0.534 207 E N -0.110 120.080 120.200 -0.017 0.000 2.257 207 E HA -0.280 4.081 4.350 0.019 0.000 0.224 207 E C -0.517 176.075 176.600 -0.014 0.000 1.286 207 E CA 0.945 57.336 56.400 -0.016 0.000 0.716 207 E CB -1.154 28.535 29.700 -0.018 0.000 1.159 207 E HN 0.281 nan 8.360 nan 0.000 0.367 208 E N 0.591 120.784 120.200 -0.013 0.000 2.191 208 E HA 0.376 4.737 4.350 0.019 0.000 0.278 208 E C 0.408 177.002 176.600 -0.011 0.000 0.972 208 E CA -0.127 56.266 56.400 -0.012 0.000 0.804 208 E CB 1.171 30.864 29.700 -0.011 0.000 1.110 208 E HN 0.369 nan 8.360 nan 0.000 0.394 209 E N 3.233 123.427 120.200 -0.010 0.000 1.153 209 E HA -0.087 4.274 4.350 0.019 0.000 0.209 209 E C 0.485 177.080 176.600 -0.009 0.000 1.048 209 E CA 0.876 57.271 56.400 -0.009 0.000 0.949 209 E CB -1.332 28.361 29.700 -0.011 0.000 4.847 209 E HN 0.658 nan 8.360 nan 0.000 0.614 210 A N 0.665 123.479 122.820 -0.010 0.000 3.413 210 A HA -0.307 4.024 4.320 0.019 0.000 0.268 210 A C 0.825 178.404 177.584 -0.009 0.000 1.128 210 A CA 2.122 54.153 52.037 -0.009 0.000 1.062 210 A CB -2.253 16.742 19.000 -0.008 0.000 1.121 210 A HN 0.511 nan 8.150 nan 0.000 0.895 211 D N -0.761 119.633 120.400 -0.009 0.000 2.309 211 D HA -0.064 4.587 4.640 0.019 0.000 0.212 211 D C 1.544 177.838 176.300 -0.011 0.000 0.968 211 D CA 1.529 55.524 54.000 -0.009 0.000 0.882 211 D CB -0.107 40.687 40.800 -0.010 0.000 0.918 211 D HN 0.849 nan 8.370 nan 0.000 0.503 212 Q N 0.113 119.905 119.800 -0.013 0.000 2.360 212 Q HA 0.069 4.420 4.340 0.019 0.000 0.202 212 Q C 0.470 176.462 176.000 -0.013 0.000 0.915 212 Q CA 0.288 56.083 55.803 -0.015 0.000 0.943 212 Q CB 0.292 29.020 28.738 -0.016 0.000 1.064 212 Q HN 0.030 nan 8.270 nan 0.000 0.511 213 K N 0.245 120.639 120.400 -0.011 0.000 2.684 213 K HA 0.026 4.357 4.320 0.019 0.000 0.215 213 K C 0.827 177.423 176.600 -0.007 0.000 1.073 213 K CA -0.151 56.131 56.287 -0.009 0.000 1.197 213 K CB 0.432 32.927 32.500 -0.008 0.000 0.955 213 K HN 0.049 nan 8.250 nan 0.000 0.473 214 K N 0.026 120.421 120.400 -0.008 0.000 1.991 214 K HA -0.042 4.289 4.320 0.019 0.000 0.208 214 K C 1.675 178.273 176.600 -0.004 0.000 1.038 214 K CA 1.631 57.915 56.287 -0.005 0.000 0.943 214 K CB -1.220 31.276 32.500 -0.007 0.000 0.736 214 K HN 0.123 nan 8.250 nan 0.000 0.440 215 G N 1.080 109.877 108.800 -0.006 0.000 2.848 215 G HA2 0.082 4.054 3.960 0.019 0.000 0.208 215 G HA3 0.082 4.054 3.960 0.019 0.000 0.208 215 G C -0.383 174.515 174.900 -0.003 0.000 1.152 215 G CA 0.501 45.599 45.100 -0.004 0.000 0.789 215 G HN 0.648 nan 8.290 nan 0.000 0.531 216 S N -2.002 113.695 115.700 -0.004 0.000 3.769 216 S HA -0.212 4.270 4.470 0.019 0.000 0.656 216 S C 0.322 174.920 174.600 -0.005 0.000 1.960 216 S CA 0.227 58.424 58.200 -0.004 0.000 2.104 216 S CB -0.826 62.373 63.200 -0.002 0.000 0.328 216 S HN 0.407 nan 8.310 nan 0.000 1.640 217 L N 1.686 122.907 121.223 -0.003 0.000 2.611 217 L HA 0.377 4.728 4.340 0.019 0.000 0.187 217 L C 2.265 179.134 176.870 -0.001 0.000 1.334 217 L CA 1.504 56.343 54.840 -0.001 0.000 2.722 217 L CB -1.787 40.273 42.059 0.002 0.000 2.570 217 L HN 1.027 nan 8.230 nan 0.000 1.073 218 E N 1.004 121.204 120.200 0.001 0.000 2.239 218 E HA -0.345 4.016 4.350 0.019 0.000 0.240 218 E C 0.868 177.466 176.600 -0.003 0.000 1.079 218 E CA 2.298 58.697 56.400 -0.001 0.000 0.991 218 E CB -1.035 28.663 29.700 -0.003 0.000 0.863 218 E HN 0.780 nan 8.360 nan 0.000 0.491 219 D N 0.033 120.431 120.400 -0.003 0.000 2.644 219 D HA -0.074 4.577 4.640 0.019 0.000 0.252 219 D C 1.058 177.358 176.300 0.001 0.000 1.254 219 D CA 0.176 54.175 54.000 -0.001 0.000 0.884 219 D CB 0.253 41.053 40.800 -0.000 0.000 1.034 219 D HN 0.201 nan 8.370 nan 0.000 0.473 220 Q N 0.314 120.114 119.800 0.000 0.000 2.345 220 Q HA 0.047 4.398 4.340 0.019 0.000 0.176 220 Q C 1.947 177.948 176.000 0.002 0.000 0.723 220 Q CA -0.296 55.508 55.803 0.000 0.000 0.743 220 Q CB -0.017 28.720 28.738 -0.003 0.000 1.260 220 Q HN 0.368 nan 8.270 nan 0.000 0.535 221 I N 2.349 122.918 120.570 -0.002 0.000 2.992 221 I HA -0.159 4.022 4.170 0.019 0.000 0.277 221 I C 1.249 177.371 176.117 0.007 0.000 1.277 221 I CA 1.181 62.480 61.300 -0.001 0.000 1.429 221 I CB -1.431 36.563 38.000 -0.010 0.000 1.104 221 I HN 0.382 nan 8.210 nan 0.000 0.498 222 I N -1.896 118.679 120.570 0.009 0.000 3.877 222 I HA 0.220 4.401 4.170 0.019 0.000 0.332 222 I C 1.360 177.487 176.117 0.017 0.000 1.525 222 I CA -0.163 61.148 61.300 0.018 0.000 1.146 222 I CB 0.085 38.094 38.000 0.015 0.000 1.137 222 I HN 0.209 nan 8.210 nan 0.000 0.424 223 Q N 1.882 121.689 119.800 0.011 0.000 2.019 223 Q HA 0.189 4.541 4.340 0.019 0.000 0.195 223 Q C 2.289 178.288 176.000 -0.001 0.000 0.981 223 Q CA 1.569 57.375 55.803 0.005 0.000 0.832 223 Q CB -0.048 28.694 28.738 0.007 0.000 0.902 223 Q HN 0.602 nan 8.270 nan 0.000 0.461 224 A N 2.024 124.844 122.820 0.002 0.000 2.067 224 A HA -0.344 3.987 4.320 0.019 0.000 0.224 224 A C 1.646 179.226 177.584 -0.006 0.000 1.172 224 A CA 1.997 54.029 52.037 -0.007 0.000 0.662 224 A CB -0.996 18.008 19.000 0.006 0.000 0.814 224 A HN 0.437 nan 8.150 nan 0.000 0.468 225 N N -0.060 118.654 118.700 0.023 0.000 2.184 225 N HA -0.219 4.533 4.740 0.019 0.000 0.188 225 N C -0.796 174.756 175.510 0.070 0.000 0.923 225 N CA 2.581 55.668 53.050 0.060 0.000 0.897 225 N CB -1.282 37.240 38.487 0.059 0.000 1.060 225 N HN 0.479 nan 8.380 nan 0.000 0.763 226 P HA -0.057 nan 4.420 nan 0.000 0.228 226 P C 1.377 178.703 177.300 0.043 0.000 1.151 226 P CA 0.899 64.029 63.100 0.050 0.000 0.770 226 P CB 0.174 31.886 31.700 0.019 0.000 0.786 227 V N -1.115 118.802 119.914 0.005 0.000 2.685 227 V HA 0.056 4.187 4.120 0.019 0.000 0.244 227 V C 1.687 177.843 176.094 0.103 0.000 1.054 227 V CA 0.705 63.041 62.300 0.060 0.000 1.076 227 V CB -0.286 31.503 31.823 -0.057 0.000 0.725 227 V HN -0.104 nan 8.190 nan 0.000 0.467 228 L N -0.655 120.561 121.223 -0.011 0.000 2.744 228 L HA 0.358 4.710 4.340 0.019 0.000 0.218 228 L C 1.435 178.396 176.870 0.153 0.000 1.190 228 L CA -0.017 54.785 54.840 -0.064 0.000 0.869 228 L CB -0.342 41.695 42.059 -0.037 0.000 1.652 228 L HN 0.106 nan 8.230 nan 0.000 0.519 229 E N -0.891 119.464 120.200 0.257 0.000 2.803 229 E HA -0.365 3.997 4.350 0.019 0.000 0.261 229 E C 0.678 177.415 176.600 0.229 0.000 1.221 229 E CA 0.622 57.212 56.400 0.317 0.000 0.720 229 E CB -0.478 29.378 29.700 0.260 0.000 1.337 229 E HN 0.661 nan 8.360 nan 0.000 0.439 230 A N -0.683 122.282 122.820 0.242 0.000 2.106 230 A HA 0.149 4.480 4.320 0.019 0.000 0.218 230 A C 1.263 178.935 177.584 0.147 0.000 1.718 230 A CA 0.478 52.623 52.037 0.180 0.000 0.768 230 A CB -0.590 18.508 19.000 0.164 0.000 1.321 230 A HN 0.194 nan 8.150 nan 0.000 0.567 231 Y N 0.651 121.085 120.300 0.223 0.000 1.977 231 Y HA 0.043 4.604 4.550 0.017 0.000 0.264 231 Y C 2.272 178.143 175.900 -0.048 0.000 1.167 231 Y CA 0.892 59.197 58.100 0.342 0.000 1.102 231 Y CB -1.546 37.276 38.460 0.602 0.000 0.948 231 Y HN 0.740 nan 8.280 nan 0.000 0.489 232 G N 0.328 109.318 108.800 0.317 0.000 2.611 232 G HA2 -0.371 3.600 3.960 0.019 0.000 0.301 232 G HA3 -0.371 3.600 3.960 0.019 0.000 0.301 232 G C -0.158 174.878 174.900 0.227 0.000 1.233 232 G CA 0.691 45.886 45.100 0.160 0.000 0.993 232 G HN 0.750 nan 8.290 nan 0.000 0.553 233 N N -1.790 117.081 118.700 0.285 0.000 3.836 233 N HA 0.563 5.314 4.740 0.019 0.000 0.229 233 N C -1.374 174.240 175.510 0.173 0.000 1.375 233 N CA -0.018 53.127 53.050 0.159 0.000 0.838 233 N CB 0.967 39.566 38.487 0.186 0.000 1.447 233 N HN 2.276 nan 8.380 nan 0.000 0.458 234 A N 0.718 123.624 122.820 0.143 0.000 1.450 234 A HA 0.509 4.840 4.320 0.019 0.000 0.227 234 A C -0.837 176.733 177.584 -0.023 0.000 1.628 234 A CA 0.373 52.443 52.037 0.056 0.000 1.646 234 A CB -0.812 18.225 19.000 0.061 0.000 0.563 234 A HN 1.514 nan 8.150 nan 0.000 0.764 235 K N -0.810 119.599 120.400 0.014 0.000 1.905 235 K HA 0.541 4.872 4.320 0.019 0.000 1.037 235 K C 0.187 176.843 176.600 0.093 0.000 0.918 235 K CA 1.165 57.461 56.287 0.015 0.000 0.912 235 K CB -1.537 30.936 32.500 -0.045 0.000 3.495 235 K HN 2.550 nan 8.250 nan 0.000 0.108 236 T N -1.658 112.943 114.554 0.078 0.000 1.832 236 T HA 0.714 5.075 4.350 0.019 0.000 0.171 236 T C 1.379 176.122 174.700 0.071 0.000 0.718 236 T CA 2.318 64.477 62.100 0.097 0.000 0.980 236 T CB 1.015 69.953 68.868 0.117 0.000 3.173 236 T HN 1.572 nan 8.240 nan 0.000 0.399 237 T N -0.902 113.699 114.554 0.079 0.000 3.536 237 T HA 0.352 4.713 4.350 0.019 0.000 0.242 237 T C 0.154 174.895 174.700 0.068 0.000 0.980 237 T CA -0.197 61.940 62.100 0.061 0.000 1.132 237 T CB 0.055 68.957 68.868 0.057 0.000 1.185 237 T HN 0.237 nan 8.240 nan 0.000 0.374 238 R N 2.715 123.279 120.500 0.106 0.000 4.609 238 R HA 0.498 4.850 4.340 0.019 0.000 0.235 238 R C -0.130 176.268 176.300 0.164 0.000 1.836 238 R CA -0.048 56.137 56.100 0.142 0.000 1.564 238 R CB -0.536 29.900 30.300 0.227 0.000 1.382 238 R HN 0.453 nan 8.270 nan 0.000 0.776 239 N N -0.480 118.280 118.700 0.101 0.000 4.616 239 N HA -0.118 4.633 4.740 0.019 0.000 0.221 239 N C -1.211 174.331 175.510 0.053 0.000 1.188 239 N CA -0.375 52.720 53.050 0.076 0.000 0.689 239 N CB -0.193 38.345 38.487 0.085 0.000 1.625 239 N HN 0.260 nan 8.380 nan 0.000 0.414 240 N N -0.899 117.819 118.700 0.031 0.000 2.082 240 N HA 0.215 4.966 4.740 0.019 0.000 0.228 240 N C -0.369 175.137 175.510 -0.006 0.000 1.341 240 N CA 0.413 53.469 53.050 0.011 0.000 0.873 240 N CB 0.860 39.343 38.487 -0.007 0.000 1.137 240 N HN 0.639 nan 8.380 nan 0.000 0.505 241 N N 0.753 119.455 118.700 0.004 0.000 2.673 241 N HA 0.120 4.872 4.740 0.019 0.000 0.265 241 N C -0.438 175.075 175.510 0.006 0.000 1.709 241 N CA -0.566 52.485 53.050 0.001 0.000 0.792 241 N CB 0.201 38.679 38.487 -0.015 0.000 1.286 241 N HN 0.154 nan 8.380 nan 0.000 0.506 242 S N -0.254 115.461 115.700 0.025 0.000 3.729 242 S HA 0.298 4.779 4.470 0.019 0.000 0.235 242 S C 0.126 174.713 174.600 -0.023 0.000 1.367 242 S CA -0.314 57.887 58.200 0.001 0.000 0.907 242 S CB -0.614 62.605 63.200 0.031 0.000 1.471 242 S HN 0.413 nan 8.310 nan 0.000 0.476 243 S N 2.778 118.426 115.700 -0.087 0.000 3.159 243 S HA 0.055 4.536 4.470 0.019 0.000 0.375 243 S C 1.380 175.724 174.600 -0.426 0.000 1.068 243 S CA 0.312 58.390 58.200 -0.203 0.000 1.678 243 S CB -0.717 62.202 63.200 -0.467 0.000 1.160 243 S HN 0.922 nan 8.310 nan 0.000 0.605 244 R N 2.588 123.097 120.500 0.014 0.000 4.980 244 R HA 0.378 4.729 4.340 0.019 0.000 0.190 244 R C -0.111 176.330 176.300 0.236 0.000 2.095 244 R CA 0.166 56.324 56.100 0.097 0.000 1.717 244 R CB -1.256 29.179 30.300 0.225 0.000 1.337 244 R HN 0.596 nan 8.270 nan 0.000 0.820 245 F N -3.676 116.232 119.950 -0.069 0.000 2.693 245 F HA 0.654 5.191 4.527 0.017 0.000 0.309 245 F C 0.367 176.172 175.800 0.010 0.000 1.129 245 F CA -2.350 55.612 58.000 -0.064 0.000 0.948 245 F CB 0.955 39.878 39.000 -0.130 0.000 1.315 245 F HN 0.045 nan 8.300 nan 0.000 0.447 246 G N 2.199 111.087 108.800 0.147 0.000 2.457 246 G HA2 0.430 4.401 3.960 0.019 0.000 0.316 246 G HA3 0.430 4.401 3.960 0.019 0.000 0.316 246 G C -0.438 174.661 174.900 0.332 0.000 1.030 246 G CA -0.531 44.662 45.100 0.156 0.000 1.073 246 G HN 0.862 nan 8.290 nan 0.000 0.430 247 K N 1.449 121.952 120.400 0.171 0.000 2.731 247 K HA 0.645 4.977 4.320 0.019 0.000 0.284 247 K C -0.758 176.082 176.600 0.400 0.000 1.027 247 K CA -0.655 55.795 56.287 0.272 0.000 1.040 247 K CB 0.395 32.986 32.500 0.153 0.000 1.334 247 K HN 0.325 nan 8.250 nan 0.000 0.498 248 F N 1.188 121.207 119.950 0.114 0.000 3.770 248 F HA 0.142 4.680 4.527 0.019 0.000 0.395 248 F C -1.315 174.504 175.800 0.032 0.000 0.836 248 F CA -0.471 57.581 58.000 0.087 0.000 1.701 248 F CB -0.746 38.371 39.000 0.196 0.000 2.206 248 F HN 0.364 nan 8.300 nan 0.000 0.853 249 I N 4.628 125.223 120.570 0.041 0.000 2.928 249 I HA -0.009 4.173 4.170 0.019 0.000 0.301 249 I C 1.792 177.708 176.117 -0.334 0.000 1.049 249 I CA 0.390 61.622 61.300 -0.114 0.000 2.558 249 I CB -0.362 37.614 38.000 -0.040 0.000 1.646 249 I HN 0.456 nan 8.210 nan 0.000 1.158 250 R N 4.028 124.088 120.500 -0.734 0.000 2.446 250 R HA -0.093 4.258 4.340 0.019 0.000 0.209 250 R C 1.030 176.919 176.300 -0.686 0.000 1.175 250 R CA -0.105 55.317 56.100 -1.131 0.000 1.154 250 R CB -0.542 28.913 30.300 -1.410 0.000 0.824 250 R HN 0.673 nan 8.270 nan 0.000 0.485 251 I N 0.390 120.749 120.570 -0.352 0.000 3.248 251 I HA -0.221 3.960 4.170 0.019 0.000 0.344 251 I C -0.190 175.852 176.117 -0.124 0.000 1.190 251 I CA 0.584 61.778 61.300 -0.175 0.000 1.489 251 I CB 0.330 38.290 38.000 -0.068 0.000 1.285 251 I HN 0.154 nan 8.210 nan 0.000 0.516 252 H N 6.316 125.384 119.070 -0.003 0.000 2.505 252 H HA 0.450 5.017 4.556 0.018 0.000 0.355 252 H C -0.998 174.587 175.328 0.428 0.000 1.179 252 H CA -0.121 56.027 56.048 0.166 0.000 1.343 252 H CB 1.333 31.124 29.762 0.048 0.000 1.501 252 H HN 0.557 nan 8.280 nan 0.000 0.569 253 F N 0.123 120.327 119.950 0.423 0.000 2.520 253 F HA 0.317 4.855 4.527 0.017 0.000 0.322 253 F C 1.035 176.945 175.800 0.183 0.000 1.103 253 F CA -0.711 57.429 58.000 0.233 0.000 0.926 253 F CB 1.410 40.516 39.000 0.177 0.000 1.154 253 F HN 0.614 nan 8.300 nan 0.000 0.453 254 G N 4.027 112.766 108.800 -0.102 0.000 2.597 254 G HA2 0.165 4.136 3.960 0.019 0.000 0.283 254 G HA3 0.165 4.136 3.960 0.019 0.000 0.283 254 G C -2.028 172.813 174.900 -0.099 0.000 1.319 254 G CA -0.420 44.610 45.100 -0.118 0.000 1.054 254 G HN 0.490 nan 8.290 nan 0.000 0.583 255 P HA 0.094 nan 4.420 nan 0.000 0.260 255 P C 0.830 178.067 177.300 -0.105 0.000 1.222 255 P CA 0.810 63.837 63.100 -0.121 0.000 0.843 255 P CB 0.997 32.633 31.700 -0.107 0.000 1.159 256 T N -0.773 113.713 114.554 -0.114 0.000 3.275 256 T HA 0.454 4.815 4.350 0.019 0.000 0.265 256 T C 1.020 175.644 174.700 -0.128 0.000 0.978 256 T CA 0.177 62.217 62.100 -0.100 0.000 0.923 256 T CB -1.674 67.142 68.868 -0.086 0.000 1.126 256 T HN 0.190 nan 8.240 nan 0.000 0.538 257 G N 2.411 111.116 108.800 -0.159 0.000 2.258 257 G HA2 -0.207 3.764 3.960 0.019 0.000 0.274 257 G HA3 -0.207 3.764 3.960 0.019 0.000 0.274 257 G C 0.014 174.714 174.900 -0.334 0.000 1.021 257 G CA 0.255 45.233 45.100 -0.204 0.000 0.798 257 G HN 0.559 nan 8.290 nan 0.000 0.507 258 K N -1.167 118.990 120.400 -0.405 0.000 2.258 258 K HA 0.852 5.183 4.320 0.019 0.000 0.236 258 K C 1.441 177.634 176.600 -0.678 0.000 1.008 258 K CA -0.021 56.024 56.287 -0.403 0.000 0.869 258 K CB 1.009 33.375 32.500 -0.223 0.000 1.171 258 K HN 0.656 nan 8.250 nan 0.000 0.447 259 I N -0.311 119.980 120.570 -0.464 0.000 2.926 259 I HA 0.505 4.686 4.170 0.019 0.000 0.198 259 I C 0.680 176.716 176.117 -0.134 0.000 1.339 259 I CA 0.670 61.788 61.300 -0.304 0.000 0.659 259 I CB -0.670 37.332 38.000 0.003 0.000 1.805 259 I HN 0.662 nan 8.210 nan 0.000 0.995 260 A N -0.064 122.784 122.820 0.047 0.000 2.112 260 A HA 0.657 4.988 4.320 0.019 0.000 0.228 260 A C 0.716 178.352 177.584 0.087 0.000 2.862 260 A CA 0.890 52.952 52.037 0.041 0.000 1.932 260 A CB -0.676 18.341 19.000 0.029 0.000 0.252 260 A HN 3.159 nan 8.150 nan 0.000 0.821 261 G N -1.180 107.670 108.800 0.084 0.000 2.422 261 G HA2 0.527 4.499 3.960 0.019 0.000 0.607 261 G HA3 0.527 4.499 3.960 0.019 0.000 0.607 261 G C 0.418 175.366 174.900 0.081 0.000 1.270 261 G CA 0.587 45.727 45.100 0.067 0.000 0.992 261 G HN 1.920 nan 8.290 nan 0.000 0.499 262 A N -1.463 121.373 122.820 0.027 0.000 2.899 262 A HA 0.846 5.177 4.320 0.019 0.000 0.209 262 A C 0.613 178.147 177.584 -0.083 0.000 2.128 262 A CA 2.102 54.123 52.037 -0.027 0.000 1.768 262 A CB -0.002 18.971 19.000 -0.045 0.000 1.238 262 A HN 2.544 nan 8.150 nan 0.000 0.375 263 D N -2.497 117.838 120.400 -0.107 0.000 10.506 263 D HA -0.021 4.631 4.640 0.019 0.000 0.337 263 D C -0.836 175.339 176.300 -0.208 0.000 3.149 263 D CA 0.874 54.782 54.000 -0.154 0.000 2.666 263 D CB -0.937 39.742 40.800 -0.201 0.000 1.274 263 D HN 1.630 nan 8.370 nan 0.000 0.953 264 I N -0.108 120.339 120.570 -0.205 0.000 2.494 264 I HA 0.339 4.520 4.170 0.019 0.000 0.305 264 I C -1.426 174.620 176.117 -0.118 0.000 1.954 264 I CA -0.278 60.917 61.300 -0.174 0.000 1.006 264 I CB 0.661 38.596 38.000 -0.108 0.000 1.650 264 I HN 0.459 nan 8.210 nan 0.000 0.559 265 E N 3.458 123.611 120.200 -0.079 0.000 2.489 265 E HA 0.844 5.205 4.350 0.019 0.000 0.201 265 E C -1.106 175.404 176.600 -0.149 0.000 0.752 265 E CA -0.121 56.193 56.400 -0.143 0.000 0.948 265 E CB 1.232 30.796 29.700 -0.227 0.000 1.871 265 E HN 0.784 nan 8.360 nan 0.000 0.383 266 T N -1.945 112.350 114.554 -0.430 0.000 2.749 266 T HA 0.705 5.066 4.350 0.019 0.000 0.310 266 T C -1.703 172.522 174.700 -0.791 0.000 1.496 266 T CA -0.974 60.927 62.100 -0.332 0.000 1.006 266 T CB 0.595 69.460 68.868 -0.005 0.000 1.457 266 T HN 0.380 nan 8.240 nan 0.000 0.497 267 Y N -0.350 119.987 120.300 0.061 0.000 2.592 267 Y HA 0.630 5.191 4.550 0.018 0.000 0.334 267 Y C -0.113 175.759 175.900 -0.046 0.000 1.136 267 Y CA -1.994 56.099 58.100 -0.012 0.000 1.042 267 Y CB 1.047 39.486 38.460 -0.035 0.000 1.325 267 Y HN 0.864 nan 8.280 nan 0.000 0.457 268 L N 3.285 124.514 121.223 0.010 0.000 3.419 268 L HA -0.195 4.157 4.340 0.019 0.000 0.579 268 L C -1.474 175.377 176.870 -0.032 0.000 1.012 268 L CA 0.457 55.213 54.840 -0.139 0.000 1.160 268 L CB -0.462 41.431 42.059 -0.276 0.000 1.111 268 L HN 0.627 nan 8.230 nan 0.000 0.659 269 L N 5.145 126.342 121.223 -0.044 0.000 2.287 269 L HA 0.354 4.705 4.340 0.019 0.000 0.287 269 L C 0.688 177.582 176.870 0.040 0.000 1.022 269 L CA -0.134 54.690 54.840 -0.026 0.000 0.814 269 L CB 1.394 43.328 42.059 -0.208 0.000 1.217 269 L HN 0.379 nan 8.230 nan 0.000 0.420 270 E N 5.002 125.291 120.200 0.149 0.000 1.909 270 E HA -0.058 4.303 4.350 0.019 0.000 0.253 270 E C 1.171 177.846 176.600 0.125 0.000 1.268 270 E CA 0.548 57.028 56.400 0.134 0.000 0.999 270 E CB 0.392 30.205 29.700 0.188 0.000 1.072 270 E HN 0.792 nan 8.360 nan 0.000 0.428 271 K N 1.930 122.369 120.400 0.064 0.000 1.977 271 K HA -0.256 4.075 4.320 0.019 0.000 0.218 271 K C 2.032 178.616 176.600 -0.026 0.000 1.051 271 K CA 1.992 58.315 56.287 0.061 0.000 0.953 271 K CB -1.144 31.375 32.500 0.033 0.000 0.727 271 K HN 0.382 nan 8.250 nan 0.000 0.445 272 S N 0.403 116.082 115.700 -0.036 0.000 2.411 272 S HA -0.387 4.094 4.470 0.019 0.000 0.293 272 S C 2.053 176.584 174.600 -0.114 0.000 1.146 272 S CA 1.858 60.024 58.200 -0.056 0.000 1.337 272 S CB -0.571 62.603 63.200 -0.043 0.000 1.258 272 S HN 0.586 nan 8.310 nan 0.000 0.453 273 R N 0.598 121.016 120.500 -0.137 0.000 2.366 273 R HA -0.267 4.084 4.340 0.019 0.000 0.249 273 R C 2.165 178.222 176.300 -0.406 0.000 1.064 273 R CA 2.229 58.150 56.100 -0.299 0.000 0.925 273 R CB -1.895 28.045 30.300 -0.599 0.000 0.952 273 R HN 0.553 nan 8.270 nan 0.000 0.444 274 V N -0.438 119.197 119.914 -0.466 0.000 2.216 274 V HA -0.260 3.872 4.120 0.019 0.000 0.243 274 V C 2.578 178.426 176.094 -0.411 0.000 1.044 274 V CA 2.799 64.806 62.300 -0.488 0.000 0.995 274 V CB -1.750 29.774 31.823 -0.497 0.000 0.633 274 V HN 0.591 nan 8.190 nan 0.000 0.446 275 T N -1.441 112.834 114.554 -0.465 0.000 2.622 275 T HA -0.252 4.109 4.350 0.019 0.000 0.266 275 T C 1.027 175.593 174.700 -0.224 0.000 1.047 275 T CA 1.723 63.467 62.100 -0.594 0.000 1.159 275 T CB -0.602 67.988 68.868 -0.463 0.000 0.863 275 T HN 0.488 nan 8.240 nan 0.000 0.422 276 Y N 1.926 122.109 120.300 -0.195 0.000 2.418 276 Y HA 0.572 5.133 4.550 0.018 0.000 0.327 276 Y C 0.183 176.016 175.900 -0.112 0.000 1.309 276 Y CA -0.905 57.134 58.100 -0.102 0.000 1.423 276 Y CB 0.929 39.347 38.460 -0.071 0.000 1.423 276 Y HN 0.625 nan 8.280 nan 0.000 0.532 277 Q N 1.509 120.990 119.800 -0.532 0.000 2.852 277 Q HA 0.130 4.481 4.340 0.019 0.000 0.250 277 Q C -1.978 173.861 176.000 -0.270 0.000 0.988 277 Q CA -0.577 55.117 55.803 -0.182 0.000 0.905 277 Q CB 1.118 29.736 28.738 -0.200 0.000 1.896 277 Q HN 0.773 nan 8.270 nan 0.000 0.464 278 Q N 1.699 121.529 119.800 0.051 0.000 2.465 278 Q HA 0.378 4.729 4.340 0.019 0.000 0.361 278 Q C -0.078 175.919 176.000 -0.004 0.000 0.957 278 Q CA 0.591 56.436 55.803 0.070 0.000 1.065 278 Q CB 0.758 29.613 28.738 0.195 0.000 1.274 278 Q HN 0.816 nan 8.270 nan 0.000 0.421 279 S N 0.240 115.905 115.700 -0.059 0.000 4.158 279 S HA -0.386 4.095 4.470 0.019 0.000 0.578 279 S C 1.499 176.082 174.600 -0.029 0.000 1.866 279 S CA 1.092 59.263 58.200 -0.050 0.000 4.250 279 S CB -1.508 61.668 63.200 -0.040 0.000 0.204 279 S HN 0.661 nan 8.310 nan 0.000 0.455 280 A N 1.240 124.052 122.820 -0.013 0.000 2.186 280 A HA 0.040 4.371 4.320 0.019 0.000 0.219 280 A C 1.316 178.907 177.584 0.012 0.000 1.159 280 A CA 2.144 54.181 52.037 -0.000 0.000 0.680 280 A CB -0.507 18.495 19.000 0.003 0.000 0.787 280 A HN 0.599 nan 8.150 nan 0.000 0.467 281 E N 0.611 120.819 120.200 0.013 0.000 2.441 281 E HA 0.009 4.371 4.350 0.019 0.000 0.210 281 E C 0.641 177.241 176.600 0.000 0.000 1.306 281 E CA -0.224 56.195 56.400 0.032 0.000 1.307 281 E CB -0.726 29.009 29.700 0.058 0.000 1.297 281 E HN 0.349 nan 8.360 nan 0.000 0.440 282 R N 1.932 122.429 120.500 -0.005 0.000 2.478 282 R HA -0.121 4.231 4.340 0.019 0.000 0.281 282 R C -0.272 176.005 176.300 -0.039 0.000 0.939 282 R CA 0.454 56.536 56.100 -0.029 0.000 1.120 282 R CB 0.103 30.409 30.300 0.010 0.000 0.885 282 R HN 0.322 nan 8.270 nan 0.000 0.415 283 N N 5.737 124.339 118.700 -0.163 0.000 2.415 283 N HA -0.041 4.710 4.740 0.019 0.000 0.246 283 N C -1.109 174.326 175.510 -0.125 0.000 1.078 283 N CA -0.222 52.651 53.050 -0.296 0.000 0.942 283 N CB 0.218 38.381 38.487 -0.540 0.000 1.140 283 N HN 0.383 nan 8.380 nan 0.000 0.501 284 Y N -0.288 120.035 120.300 0.039 0.000 2.583 284 Y HA -0.244 4.318 4.550 0.020 0.000 0.046 284 Y C 0.364 176.424 175.900 0.267 0.000 1.767 284 Y CA 0.048 58.267 58.100 0.198 0.000 1.361 284 Y CB -2.013 36.641 38.460 0.325 0.000 2.008 284 Y HN 0.682 nan 8.280 nan 0.000 0.267 285 H N 4.444 123.677 119.070 0.272 0.000 3.026 285 H HA 0.454 5.020 4.556 0.017 0.000 0.289 285 H C 0.943 176.356 175.328 0.141 0.000 1.022 285 H CA 1.351 57.497 56.048 0.163 0.000 1.477 285 H CB 0.233 30.059 29.762 0.107 0.000 1.510 285 H HN 0.698 nan 8.280 nan 0.000 0.535 286 I N 2.979 123.476 120.570 -0.121 0.000 4.820 286 I HA -0.253 3.928 4.170 0.019 0.000 0.248 286 I C 0.518 176.512 176.117 -0.205 0.000 0.902 286 I CA 0.072 61.242 61.300 -0.216 0.000 1.606 286 I CB -1.139 36.737 38.000 -0.207 0.000 2.550 286 I HN 0.477 nan 8.210 nan 0.000 0.737 287 F N 1.828 121.647 119.950 -0.218 0.000 2.045 287 F HA -0.362 4.177 4.527 0.018 0.000 0.297 287 F C 2.967 178.594 175.800 -0.288 0.000 1.114 287 F CA 3.925 61.783 58.000 -0.236 0.000 1.207 287 F CB -1.441 37.426 39.000 -0.221 0.000 0.964 287 F HN 0.479 nan 8.300 nan 0.000 0.486 288 Y N -0.781 119.512 120.300 -0.013 0.000 2.184 288 Y HA -0.043 4.518 4.550 0.019 0.000 0.290 288 Y C 2.374 178.124 175.900 -0.250 0.000 1.129 288 Y CA 1.466 59.506 58.100 -0.100 0.000 1.144 288 Y CB -1.584 36.861 38.460 -0.025 0.000 0.995 288 Y HN 0.213 nan 8.280 nan 0.000 0.513 289 Q N 1.022 120.591 119.800 -0.385 0.000 2.631 289 Q HA 0.169 4.520 4.340 0.019 0.000 0.220 289 Q C 1.609 177.154 176.000 -0.757 0.000 0.978 289 Q CA 1.825 57.329 55.803 -0.498 0.000 0.961 289 Q CB -1.318 27.029 28.738 -0.652 0.000 0.988 289 Q HN 1.315 nan 8.270 nan 0.000 0.567 290 I N -6.277 113.780 120.570 -0.855 0.000 4.547 290 I HA 0.252 4.433 4.170 0.019 0.000 0.303 290 I C 0.936 176.671 176.117 -0.636 0.000 1.188 290 I CA -0.270 60.066 61.300 -1.608 0.000 1.320 290 I CB 0.286 37.359 38.000 -1.544 0.000 1.495 290 I HN 0.195 nan 8.210 nan 0.000 0.462 297 E N 0.029 120.212 120.200 -0.028 0.000 2.433 297 E HA -0.246 4.115 4.350 0.019 0.000 0.231 297 E C 0.220 176.788 176.600 -0.053 0.000 1.133 297 E CA 2.469 58.844 56.400 -0.040 0.000 0.922 297 E CB -0.245 29.423 29.700 -0.053 0.000 0.773 297 E HN 0.368 nan 8.360 nan 0.000 0.460 298 L N -0.856 120.323 121.223 -0.073 0.000 4.061 298 L HA 0.152 4.503 4.340 0.019 0.000 0.403 298 L C 0.795 177.618 176.870 -0.079 0.000 1.233 298 L CA 0.000 54.791 54.840 -0.082 0.000 1.323 298 L CB -0.305 41.675 42.059 -0.132 0.000 1.460 298 L HN -0.016 nan 8.230 nan 0.000 0.601 299 N N 0.279 118.958 118.700 -0.036 0.000 2.678 299 N HA -0.094 4.658 4.740 0.019 0.000 0.199 299 N C 0.771 176.308 175.510 0.044 0.000 1.353 299 N CA 0.709 53.782 53.050 0.037 0.000 0.916 299 N CB 0.434 38.969 38.487 0.080 0.000 1.057 299 N HN 0.452 nan 8.380 nan 0.000 0.449 300 E N -2.052 118.159 120.200 0.018 0.000 3.496 300 E HA 0.191 4.552 4.350 0.019 0.000 0.213 300 E C 0.755 177.371 176.600 0.026 0.000 1.217 300 E CA -0.122 56.300 56.400 0.037 0.000 0.944 300 E CB 0.532 30.255 29.700 0.038 0.000 3.212 300 E HN -0.129 nan 8.360 nan 0.000 0.591 301 V N 0.943 120.872 119.914 0.025 0.000 1.738 301 V HA -0.296 3.835 4.120 0.019 0.000 0.060 301 V C -0.156 175.981 176.094 0.072 0.000 0.534 301 V CA 2.008 64.326 62.300 0.031 0.000 1.490 301 V CB -0.847 30.974 31.823 -0.003 0.000 1.715 301 V HN 0.608 nan 8.190 nan 0.000 0.814 302 M N -2.177 117.470 119.600 0.078 0.000 3.018 302 M HA 0.254 4.745 4.480 0.019 0.000 0.119 302 M C -1.808 174.571 176.300 0.132 0.000 0.528 302 M CA -0.234 55.136 55.300 0.117 0.000 1.078 302 M CB -0.201 32.505 32.600 0.176 0.000 0.982 302 M HN 1.044 nan 8.290 nan 0.000 0.595 303 L N 3.516 124.837 121.223 0.164 0.000 2.626 303 L HA -0.153 4.198 4.340 0.019 0.000 0.571 303 L C 0.913 177.887 176.870 0.173 0.000 1.001 303 L CA 2.025 56.992 54.840 0.210 0.000 1.280 303 L CB -2.313 39.933 42.059 0.313 0.000 1.779 303 L HN 1.976 nan 8.230 nan 0.000 0.887 304 I N 0.322 120.987 120.570 0.159 0.000 4.909 304 I HA -0.184 3.997 4.170 0.019 0.000 0.038 304 I C 0.626 176.814 176.117 0.120 0.000 0.635 304 I CA 1.686 63.061 61.300 0.125 0.000 0.209 304 I CB -1.315 36.783 38.000 0.164 0.000 0.322 304 I HN 1.235 nan 8.210 nan 0.000 0.152 305 T N -0.475 114.169 114.554 0.151 0.000 2.868 305 T HA 0.425 4.786 4.350 0.019 0.000 0.321 305 T C -3.016 171.800 174.700 0.192 0.000 1.853 305 T CA 0.080 62.275 62.100 0.157 0.000 1.020 305 T CB 0.030 68.951 68.868 0.089 0.000 1.902 305 T HN 1.173 nan 8.240 nan 0.000 0.528 306 P HA -0.114 nan 4.420 nan 0.000 0.292 306 P C -0.618 176.778 177.300 0.159 0.000 1.749 306 P CA 0.776 64.000 63.100 0.206 0.000 1.440 306 P CB -0.088 31.664 31.700 0.086 0.000 0.534 307 D N -1.701 118.812 120.400 0.188 0.000 9.054 307 D HA -0.130 4.521 4.640 0.019 0.000 0.288 307 D C 1.271 177.558 176.300 -0.022 0.000 2.510 307 D CA 1.047 55.095 54.000 0.080 0.000 2.292 307 D CB -0.405 40.377 40.800 -0.030 0.000 0.976 307 D HN 0.505 nan 8.370 nan 0.000 0.698 308 S N 3.067 118.878 115.700 0.184 0.000 2.523 308 S HA -0.096 4.385 4.470 0.019 0.000 0.226 308 S C 2.100 176.601 174.600 -0.165 0.000 1.062 308 S CA 2.340 60.681 58.200 0.235 0.000 1.207 308 S CB -1.052 62.231 63.200 0.138 0.000 1.151 308 S HN 1.821 nan 8.310 nan 0.000 0.408 309 G N 2.473 111.216 108.800 -0.096 0.000 4.637 309 G HA2 -0.374 3.597 3.960 0.019 0.000 0.359 309 G HA3 -0.374 3.597 3.960 0.019 0.000 0.359 309 G C 0.503 175.321 174.900 -0.137 0.000 1.577 309 G CA 1.263 46.286 45.100 -0.127 0.000 1.463 309 G HN 1.005 nan 8.290 nan 0.000 0.849 310 L N 0.135 121.210 121.223 -0.247 0.000 2.664 310 L HA 0.610 4.961 4.340 0.019 0.000 0.166 310 L C 1.107 177.944 176.870 -0.054 0.000 1.824 310 L CA 0.409 55.140 54.840 -0.182 0.000 3.021 310 L CB -1.018 40.921 42.059 -0.201 0.000 2.992 310 L HN 1.458 nan 8.230 nan 0.000 0.755 311 Y N 0.356 120.619 120.300 -0.062 0.000 2.997 311 Y HA -0.100 4.462 4.550 0.019 0.000 0.211 311 Y C 0.314 176.149 175.900 -0.110 0.000 1.322 311 Y CA 0.203 58.259 58.100 -0.073 0.000 0.873 311 Y CB -2.821 35.620 38.460 -0.031 0.000 1.348 311 Y HN 0.568 nan 8.280 nan 0.000 0.349 312 S N 3.170 118.871 115.700 0.002 0.000 2.633 312 S HA 0.549 5.031 4.470 0.019 0.000 0.257 312 S C 0.686 175.263 174.600 -0.038 0.000 1.265 312 S CA 0.245 58.395 58.200 -0.083 0.000 0.980 312 S CB 0.196 63.271 63.200 -0.208 0.000 1.017 312 S HN 1.118 nan 8.310 nan 0.000 0.577 313 F N -2.735 117.135 119.950 -0.134 0.000 2.794 313 F HA -0.285 4.253 4.527 0.018 0.000 0.335 313 F C 1.146 176.757 175.800 -0.315 0.000 0.653 313 F CA 0.521 58.407 58.000 -0.191 0.000 1.266 313 F CB -2.000 36.917 39.000 -0.139 0.000 1.666 313 F HN 0.569 nan 8.300 nan 0.000 0.314 314 I N -1.378 119.131 120.570 -0.101 0.000 4.676 314 I HA 0.121 4.303 4.170 0.019 0.000 0.306 314 I C 1.011 177.044 176.117 -0.141 0.000 1.178 314 I CA 0.595 61.736 61.300 -0.266 0.000 1.335 314 I CB -0.436 37.336 38.000 -0.381 0.000 1.541 314 I HN 0.125 nan 8.210 nan 0.000 0.469 320 T N -0.706 113.878 114.554 0.049 0.000 0.541 320 T HA -0.042 4.319 4.350 0.019 0.000 0.774 320 T C 0.530 175.250 174.700 0.034 0.000 0.992 320 T CA 0.986 63.121 62.100 0.058 0.000 4.077 320 T CB 0.206 69.114 68.868 0.068 0.000 2.303 320 T HN 0.560 nan 8.240 nan 0.000 0.398 321 V N -1.987 117.945 119.914 0.029 0.000 6.343 321 V HA 0.457 4.588 4.120 0.019 0.000 0.061 321 V C -0.409 175.696 176.094 0.020 0.000 0.815 321 V CA 0.275 62.587 62.300 0.020 0.000 1.064 321 V CB 0.006 31.837 31.823 0.012 0.000 1.936 321 V HN 1.127 nan 8.190 nan 0.000 0.577 322 D N 1.800 122.209 120.400 0.014 0.000 2.210 322 D HA 0.147 4.799 4.640 0.019 0.000 0.249 322 D C 0.555 176.866 176.300 0.018 0.000 1.062 322 D CA 0.362 54.372 54.000 0.017 0.000 0.891 322 D CB 1.129 41.939 40.800 0.015 0.000 1.186 322 D HN 0.879 nan 8.370 nan 0.000 0.432 323 N N 1.263 119.977 118.700 0.024 0.000 2.628 323 N HA -0.281 4.471 4.740 0.019 0.000 0.250 323 N C 1.082 176.611 175.510 0.032 0.000 1.045 323 N CA 0.582 53.650 53.050 0.030 0.000 0.782 323 N CB -0.682 37.822 38.487 0.029 0.000 0.989 323 N HN 0.517 nan 8.380 nan 0.000 0.547 324 I N -2.996 117.594 120.570 0.033 0.000 2.585 324 I HA 0.084 4.265 4.170 0.019 0.000 0.254 324 I C -0.192 175.988 176.117 0.104 0.000 1.129 324 I CA 0.569 61.892 61.300 0.039 0.000 1.455 324 I CB -1.402 36.611 38.000 0.020 0.000 1.111 324 I HN -0.074 nan 8.210 nan 0.000 0.433 325 D N 3.614 124.063 120.400 0.082 0.000 8.123 325 D HA -0.212 4.439 4.640 0.019 0.000 0.129 325 D C 0.280 176.637 176.300 0.094 0.000 1.103 325 D CA 1.077 55.122 54.000 0.075 0.000 0.894 325 D CB -0.276 40.557 40.800 0.055 0.000 1.688 325 D HN 0.429 nan 8.370 nan 0.000 0.961 326 D N 0.728 121.171 120.400 0.071 0.000 2.392 326 D HA -0.070 4.582 4.640 0.019 0.000 0.228 326 D C 1.809 178.074 176.300 -0.059 0.000 1.003 326 D CA 0.587 54.573 54.000 -0.023 0.000 0.917 326 D CB 0.103 40.839 40.800 -0.106 0.000 0.890 326 D HN 0.432 nan 8.370 nan 0.000 0.532 327 V N 0.033 119.951 119.914 0.008 0.000 2.297 327 V HA -0.393 3.738 4.120 0.019 0.000 0.192 327 V C 1.788 177.922 176.094 0.068 0.000 0.878 327 V CA 1.448 63.769 62.300 0.035 0.000 1.035 327 V CB -1.040 30.812 31.823 0.048 0.000 0.673 327 V HN 0.086 nan 8.190 nan 0.000 0.500 328 E N 0.371 120.616 120.200 0.075 0.000 2.271 328 E HA -0.327 4.035 4.350 0.019 0.000 0.209 328 E C 2.190 178.851 176.600 0.102 0.000 1.046 328 E CA 1.630 58.081 56.400 0.085 0.000 0.840 328 E CB -0.522 29.216 29.700 0.064 0.000 0.738 328 E HN 0.811 nan 8.360 nan 0.000 0.470 329 E N 0.240 120.490 120.200 0.083 0.000 2.208 329 E HA -0.229 4.133 4.350 0.019 0.000 0.202 329 E C 1.094 177.801 176.600 0.179 0.000 1.014 329 E CA 1.018 57.463 56.400 0.075 0.000 0.819 329 E CB -0.039 29.648 29.700 -0.022 0.000 0.735 329 E HN 0.148 nan 8.360 nan 0.000 0.469 330 F N 1.193 121.118 119.950 -0.042 0.000 2.190 330 F HA 0.037 4.574 4.527 0.016 0.000 0.269 330 F C 2.501 178.286 175.800 -0.026 0.000 1.338 330 F CA 0.746 58.720 58.000 -0.043 0.000 1.081 330 F CB -1.346 37.624 39.000 -0.050 0.000 1.089 330 F HN -0.079 nan 8.300 nan 0.000 0.549 331 K N 0.340 120.760 120.400 0.034 0.000 2.159 331 K HA -0.232 4.099 4.320 0.019 0.000 0.217 331 K C 0.647 177.248 176.600 0.001 0.000 1.048 331 K CA 1.823 58.086 56.287 -0.040 0.000 0.941 331 K CB -0.583 31.916 32.500 -0.001 0.000 0.738 331 K HN 0.186 nan 8.250 nan 0.000 0.469 332 L N 1.716 122.963 121.223 0.040 0.000 2.437 332 L HA 0.078 4.430 4.340 0.019 0.000 0.243 332 L C 1.030 177.913 176.870 0.021 0.000 1.346 332 L CA 0.322 55.181 54.840 0.032 0.000 1.233 332 L CB -1.178 40.907 42.059 0.043 0.000 1.436 332 L HN 0.681 nan 8.230 nan 0.000 0.416 333 C N -2.590 116.705 119.300 -0.009 0.000 5.362 333 C HA 0.057 4.528 4.460 0.019 0.000 0.423 333 C C 0.605 175.523 174.990 -0.119 0.000 0.913 333 C CA -0.205 58.766 59.018 -0.078 0.000 2.429 333 C CB 0.178 27.883 27.740 -0.058 0.000 2.750 333 C HN 0.479 nan 8.230 nan 0.000 0.380 334 D N 1.963 122.353 120.400 -0.015 0.000 2.346 334 D HA 0.467 5.118 4.640 0.019 0.000 0.260 334 D C 0.509 176.898 176.300 0.148 0.000 1.252 334 D CA 2.124 56.209 54.000 0.141 0.000 0.895 334 D CB 0.666 41.505 40.800 0.066 0.000 1.097 334 D HN 0.754 nan 8.370 nan 0.000 0.489 335 E N 2.421 122.776 120.200 0.258 0.000 3.329 335 E HA -0.173 4.189 4.350 0.019 0.000 0.126 335 E C 1.426 178.160 176.600 0.224 0.000 0.652 335 E CA 0.873 57.400 56.400 0.212 0.000 3.052 335 E CB -1.545 28.221 29.700 0.109 0.000 1.270 335 E HN 0.303 nan 8.360 nan 0.000 0.771 336 A N 1.249 124.144 122.820 0.125 0.000 1.954 336 A HA -0.211 4.121 4.320 0.019 0.000 0.222 336 A C 1.911 179.627 177.584 0.220 0.000 1.199 336 A CA 2.083 54.173 52.037 0.089 0.000 0.657 336 A CB -1.244 17.750 19.000 -0.010 0.000 0.823 336 A HN 0.412 nan 8.150 nan 0.000 0.463 337 F N 0.431 120.520 119.950 0.231 0.000 2.025 337 F HA -0.331 4.210 4.527 0.022 0.000 0.297 337 F C 2.417 178.497 175.800 0.467 0.000 1.171 337 F CA 1.646 59.970 58.000 0.540 0.000 1.204 337 F CB -0.379 38.841 39.000 0.367 0.000 0.948 337 F HN 0.531 nan 8.300 nan 0.000 0.512 338 D N 0.744 121.548 120.400 0.674 0.000 2.434 338 D HA -0.269 4.383 4.640 0.019 0.000 0.215 338 D C 1.631 177.906 176.300 -0.041 0.000 0.981 338 D CA 1.065 55.197 54.000 0.221 0.000 0.995 338 D CB -0.565 40.358 40.800 0.205 0.000 0.854 338 D HN 0.500 nan 8.370 nan 0.000 0.490 339 I N 0.136 120.674 120.570 -0.054 0.000 3.462 339 I HA 0.008 4.189 4.170 0.019 0.000 0.290 339 I C 0.615 176.606 176.117 -0.209 0.000 1.236 339 I CA -0.056 61.189 61.300 -0.093 0.000 1.418 339 I CB 0.253 38.235 38.000 -0.029 0.000 1.102 339 I HN 0.075 nan 8.210 nan 0.000 0.441 340 L N -1.149 119.843 121.223 -0.385 0.000 2.354 340 L HA 0.612 4.964 4.340 0.019 0.000 0.269 340 L C 0.436 176.736 176.870 -0.951 0.000 1.005 340 L CA -0.468 54.094 54.840 -0.464 0.000 0.819 340 L CB 0.446 42.374 42.059 -0.218 0.000 1.311 340 L HN 0.196 nan 8.230 nan 0.000 0.423 341 G N 3.607 112.103 108.800 -0.508 0.000 2.019 341 G HA2 -0.141 3.830 3.960 0.019 0.000 0.240 341 G HA3 -0.141 3.830 3.960 0.019 0.000 0.240 341 G C -0.217 174.500 174.900 -0.304 0.000 0.699 341 G CA 1.219 46.111 45.100 -0.346 0.000 1.045 341 G HN 1.410 nan 8.290 nan 0.000 0.365 342 F N -2.873 117.055 119.950 -0.038 0.000 2.602 342 F HA 0.356 4.893 4.527 0.017 0.000 0.302 342 F C -0.464 175.288 175.800 -0.080 0.000 0.967 342 F CA -0.711 57.244 58.000 -0.075 0.000 1.016 342 F CB 0.259 39.170 39.000 -0.148 0.000 1.291 342 F HN 0.072 nan 8.300 nan 0.000 0.558 343 T N 2.662 117.305 114.554 0.148 0.000 3.255 343 T HA 0.334 4.695 4.350 0.019 0.000 0.243 343 T C 0.426 175.158 174.700 0.054 0.000 1.057 343 T CA 0.266 62.416 62.100 0.084 0.000 1.121 343 T CB -0.596 68.291 68.868 0.031 0.000 1.104 343 T HN 0.779 nan 8.240 nan 0.000 0.571 344 K N 0.094 120.519 120.400 0.042 0.000 3.529 344 K HA -0.232 4.099 4.320 0.019 0.000 0.313 344 K C 0.842 177.410 176.600 -0.054 0.000 1.316 344 K CA 1.512 57.784 56.287 -0.025 0.000 0.988 344 K CB -1.254 31.255 32.500 0.015 0.000 1.252 344 K HN 0.592 nan 8.250 nan 0.000 0.438 345 E N 0.633 120.803 120.200 -0.050 0.000 2.472 345 E HA -0.000 4.361 4.350 0.019 0.000 0.196 345 E C 1.002 177.531 176.600 -0.117 0.000 1.033 345 E CA 0.982 57.346 56.400 -0.059 0.000 0.886 345 E CB 0.400 30.085 29.700 -0.026 0.000 0.944 345 E HN 0.467 nan 8.360 nan 0.000 0.492 346 E N -0.162 119.925 120.200 -0.189 0.000 3.100 346 E HA 0.152 4.513 4.350 0.019 0.000 0.191 346 E C 1.425 177.686 176.600 -0.565 0.000 1.097 346 E CA -0.010 56.195 56.400 -0.324 0.000 1.339 346 E CB -0.735 28.822 29.700 -0.239 0.000 1.330 346 E HN -0.044 nan 8.360 nan 0.000 0.511 347 K N 1.063 121.043 120.400 -0.699 0.000 2.066 347 K HA -0.274 4.057 4.320 0.019 0.000 0.221 347 K C 2.172 178.119 176.600 -1.088 0.000 1.056 347 K CA 2.923 58.538 56.287 -1.120 0.000 0.950 347 K CB -0.953 31.023 32.500 -0.873 0.000 0.726 347 K HN 0.478 nan 8.250 nan 0.000 0.456 348 T N -1.466 112.846 114.554 -0.403 0.000 2.732 348 T HA -0.082 4.279 4.350 0.019 0.000 0.261 348 T C 1.789 176.437 174.700 -0.087 0.000 1.040 348 T CA 1.704 63.850 62.100 0.077 0.000 1.145 348 T CB -0.597 68.337 68.868 0.111 0.000 0.866 348 T HN 0.288 nan 8.240 nan 0.000 0.427 349 S N 1.073 116.648 115.700 -0.207 0.000 2.906 349 S HA 0.241 4.723 4.470 0.019 0.000 0.234 349 S C 1.216 175.632 174.600 -0.307 0.000 0.973 349 S CA 0.144 58.230 58.200 -0.191 0.000 1.036 349 S CB -0.683 62.419 63.200 -0.164 0.000 0.798 349 S HN 0.768 nan 8.310 nan 0.000 0.498 350 M N -2.353 116.955 119.600 -0.486 0.000 2.231 350 M HA 0.537 5.028 4.480 0.019 0.000 0.347 350 M C 0.296 176.355 176.300 -0.403 0.000 0.901 350 M CA 0.204 55.185 55.300 -0.531 0.000 1.064 350 M CB -0.275 31.894 32.600 -0.718 0.000 1.861 350 M HN 0.104 nan 8.290 nan 0.000 0.638 351 F N 1.149 121.023 119.950 -0.127 0.000 2.179 351 F HA 0.337 4.874 4.527 0.017 0.000 0.292 351 F C 2.808 178.568 175.800 -0.068 0.000 1.089 351 F CA 1.466 59.426 58.000 -0.067 0.000 1.295 351 F CB -1.460 37.517 39.000 -0.039 0.000 1.041 351 F HN 0.271 nan 8.300 nan 0.000 0.487 352 K N 0.741 121.246 120.400 0.175 0.000 2.052 352 K HA -0.297 4.034 4.320 0.019 0.000 0.215 352 K C 1.909 178.525 176.600 0.028 0.000 1.053 352 K CA 2.300 58.627 56.287 0.066 0.000 0.934 352 K CB -2.329 30.176 32.500 0.009 0.000 0.717 352 K HN 0.573 nan 8.250 nan 0.000 0.450 353 C N 0.216 119.511 119.300 -0.008 0.000 2.389 353 C HA -0.128 4.344 4.460 0.019 0.000 0.294 353 C C 2.776 177.787 174.990 0.036 0.000 1.318 353 C CA 1.153 60.163 59.018 -0.012 0.000 1.822 353 C CB -1.593 26.088 27.740 -0.098 0.000 1.938 353 C HN 0.708 nan 8.230 nan 0.000 0.531 354 T N 0.979 115.551 114.554 0.031 0.000 2.914 354 T HA 0.170 4.531 4.350 0.019 0.000 0.240 354 T C 2.335 177.022 174.700 -0.021 0.000 1.025 354 T CA 1.102 63.207 62.100 0.007 0.000 1.198 354 T CB -0.587 68.234 68.868 -0.079 0.000 0.892 354 T HN 0.535 nan 8.240 nan 0.000 0.417 355 A N 2.187 124.979 122.820 -0.047 0.000 2.054 355 A HA -0.178 4.153 4.320 0.019 0.000 0.223 355 A C 2.298 179.775 177.584 -0.178 0.000 1.169 355 A CA 2.289 54.266 52.037 -0.100 0.000 0.655 355 A CB -1.100 17.860 19.000 -0.067 0.000 0.812 355 A HN 0.621 nan 8.150 nan 0.000 0.462 356 S N -0.335 115.337 115.700 -0.047 0.000 2.571 356 S HA -0.072 4.409 4.470 0.019 0.000 0.245 356 S C 1.462 176.116 174.600 0.090 0.000 0.976 356 S CA 1.229 59.457 58.200 0.047 0.000 0.954 356 S CB -0.822 62.437 63.200 0.098 0.000 0.756 356 S HN 0.919 nan 8.310 nan 0.000 0.535 357 I N -0.962 119.648 120.570 0.066 0.000 2.681 357 I HA 0.221 4.402 4.170 0.019 0.000 0.247 357 I C 1.735 177.934 176.117 0.137 0.000 1.091 357 I CA 0.394 61.797 61.300 0.172 0.000 1.442 357 I CB -0.892 37.247 38.000 0.233 0.000 1.219 357 I HN 0.056 nan 8.210 nan 0.000 0.451 358 L N 1.575 122.830 121.223 0.052 0.000 2.151 358 L HA -0.314 4.037 4.340 0.019 0.000 0.219 358 L C 2.687 179.572 176.870 0.025 0.000 1.083 358 L CA 2.152 56.995 54.840 0.004 0.000 0.782 358 L CB -1.993 40.027 42.059 -0.064 0.000 0.891 358 L HN 0.406 nan 8.230 nan 0.000 0.439 359 H N 0.123 119.238 119.070 0.075 0.000 2.251 359 H HA -0.183 4.385 4.556 0.019 0.000 0.294 359 H C 2.324 177.635 175.328 -0.029 0.000 1.078 359 H CA 2.068 58.145 56.048 0.047 0.000 1.246 359 H CB -0.732 29.079 29.762 0.083 0.000 1.358 359 H HN 0.389 nan 8.280 nan 0.000 0.488 360 M N -0.275 119.404 119.600 0.131 0.000 2.195 360 M HA -0.064 4.427 4.480 0.019 0.000 0.260 360 M C 2.397 178.435 176.300 -0.436 0.000 1.066 360 M CA 1.787 57.081 55.300 -0.010 0.000 1.089 360 M CB -1.962 30.748 32.600 0.184 0.000 1.377 360 M HN 0.216 nan 8.290 nan 0.000 0.411 361 G N 1.414 109.776 108.800 -0.730 0.000 2.516 361 G HA2 -0.169 3.803 3.960 0.019 0.000 0.221 361 G HA3 -0.169 3.803 3.960 0.019 0.000 0.221 361 G C 0.517 175.097 174.900 -0.534 0.000 1.107 361 G CA 0.519 44.936 45.100 -1.137 0.000 0.747 361 G HN 0.575 nan 8.290 nan 0.000 0.567 362 E N 1.724 121.757 120.200 -0.278 0.000 1.852 362 E HA 0.253 4.615 4.350 0.019 0.000 0.276 362 E C 0.962 177.438 176.600 -0.206 0.000 1.163 362 E CA -0.361 55.944 56.400 -0.158 0.000 1.117 362 E CB -0.355 29.321 29.700 -0.040 0.000 1.124 362 E HN 0.410 nan 8.360 nan 0.000 0.458 363 M N 0.374 119.804 119.600 -0.283 0.000 1.796 363 M HA 0.040 4.531 4.480 0.019 0.000 0.161 363 M C 0.563 176.629 176.300 -0.390 0.000 1.234 363 M CA -0.225 54.873 55.300 -0.336 0.000 0.734 363 M CB -0.337 32.103 32.600 -0.266 0.000 1.055 363 M HN -0.050 nan 8.290 nan 0.000 0.301 364 K N -0.366 119.722 120.400 -0.520 0.000 1.095 364 K HA -0.237 4.095 4.320 0.019 0.000 0.721 364 K C -0.092 176.145 176.600 -0.604 0.000 2.325 364 K CA 1.897 57.865 56.287 -0.531 0.000 1.605 364 K CB -1.356 31.020 32.500 -0.205 0.000 2.579 364 K HN 1.222 nan 8.250 nan 0.000 0.382 365 F N -2.866 117.085 119.950 0.002 0.000 3.106 365 F HA 0.053 4.591 4.527 0.019 0.000 0.294 365 F C 0.473 176.277 175.800 0.006 0.000 1.078 365 F CA -0.150 57.851 58.000 0.002 0.000 0.744 365 F CB -0.639 38.363 39.000 0.003 0.000 1.829 365 F HN 0.793 nan 8.300 nan 0.000 0.452 366 K N 0.350 120.927 120.400 0.296 0.000 1.662 366 K HA -0.271 4.060 4.320 0.019 0.000 0.637 366 K C -0.856 175.865 176.600 0.201 0.000 1.779 366 K CA 1.403 57.806 56.287 0.194 0.000 1.097 366 K CB -0.738 31.830 32.500 0.113 0.000 1.876 366 K HN 0.459 nan 8.250 nan 0.000 0.629 367 Q N 0.580 120.449 119.800 0.115 0.000 3.078 367 Q HA 0.435 4.786 4.340 0.019 0.000 0.202 367 Q C -0.254 175.781 176.000 0.058 0.000 1.165 367 Q CA -0.118 55.737 55.803 0.087 0.000 0.377 367 Q CB 0.996 29.775 28.738 0.068 0.000 5.614 367 Q HN 0.603 nan 8.270 nan 0.000 0.305 368 R N 0.012 120.538 120.500 0.044 0.000 2.725 368 R HA 0.328 4.679 4.340 0.019 0.000 0.277 368 R C -1.994 174.323 176.300 0.028 0.000 0.987 368 R CA -1.712 54.407 56.100 0.032 0.000 0.901 368 R CB 0.787 31.104 30.300 0.027 0.000 1.207 368 R HN 0.275 nan 8.270 nan 0.000 0.463 369 P HA -0.214 nan 4.420 nan 0.000 0.218 369 P C 0.828 178.139 177.300 0.018 0.000 1.150 369 P CA 1.688 64.799 63.100 0.018 0.000 0.841 369 P CB 0.343 32.052 31.700 0.015 0.000 0.784 370 R N -2.228 118.284 120.500 0.019 0.000 2.554 370 R HA 0.055 4.406 4.340 0.019 0.000 0.121 370 R C -0.254 176.059 176.300 0.021 0.000 0.888 370 R CA -0.075 56.037 56.100 0.019 0.000 2.274 370 R CB -0.053 30.256 30.300 0.016 0.000 1.574 370 R HN -0.104 nan 8.270 nan 0.000 0.511 371 E N 2.972 123.184 120.200 0.020 0.000 2.498 371 E HA -0.046 4.315 4.350 0.019 0.000 0.252 371 E C 0.345 176.961 176.600 0.026 0.000 1.025 371 E CA 0.354 56.767 56.400 0.021 0.000 0.938 371 E CB 0.840 30.550 29.700 0.017 0.000 0.947 371 E HN 0.170 nan 8.360 nan 0.000 0.478 372 E N 2.543 122.759 120.200 0.028 0.000 2.370 372 E HA -0.268 4.093 4.350 0.019 0.000 0.205 372 E C 0.352 176.975 176.600 0.039 0.000 1.037 372 E CA 0.728 57.149 56.400 0.035 0.000 0.845 372 E CB 0.058 29.780 29.700 0.035 0.000 0.753 372 E HN 0.541 nan 8.360 nan 0.000 0.507 373 Q N -0.320 119.498 119.800 0.031 0.000 2.492 373 Q HA 0.305 4.656 4.340 0.019 0.000 0.238 373 Q C -0.264 175.759 176.000 0.037 0.000 1.045 373 Q CA 0.202 56.022 55.803 0.029 0.000 0.934 373 Q CB 1.043 29.790 28.738 0.015 0.000 1.276 373 Q HN 0.125 nan 8.270 nan 0.000 0.521 374 A N 0.876 123.714 122.820 0.029 0.000 2.356 374 A HA 0.470 4.801 4.320 0.019 0.000 0.323 374 A C -0.608 176.963 177.584 -0.021 0.000 1.119 374 A CA -0.585 51.476 52.037 0.040 0.000 0.790 374 A CB 1.260 20.302 19.000 0.070 0.000 1.273 374 A HN 0.704 nan 8.150 nan 0.000 0.452 375 E N 0.851 121.038 120.200 -0.021 0.000 2.242 375 E HA 0.570 4.932 4.350 0.019 0.000 0.275 375 E C 0.933 177.376 176.600 -0.262 0.000 1.002 375 E CA 0.194 56.547 56.400 -0.078 0.000 0.841 375 E CB 1.375 31.075 29.700 -0.000 0.000 1.109 375 E HN 0.771 nan 8.360 nan 0.000 0.394 376 S N 3.812 119.369 115.700 -0.239 0.000 2.522 376 S HA -0.146 4.335 4.470 0.019 0.000 0.227 376 S C 1.138 175.589 174.600 -0.249 0.000 0.986 376 S CA 0.985 58.984 58.200 -0.335 0.000 0.929 376 S CB -0.385 62.703 63.200 -0.186 0.000 0.769 376 S HN 0.861 nan 8.310 nan 0.000 0.529 377 D N 0.641 120.978 120.400 -0.104 0.000 3.509 377 D HA -0.309 4.342 4.640 0.019 0.000 0.540 377 D C 1.803 178.131 176.300 0.046 0.000 0.574 377 D CA 2.641 56.654 54.000 0.021 0.000 1.198 377 D CB -1.228 39.658 40.800 0.143 0.000 0.254 377 D HN 0.425 nan 8.370 nan 0.000 0.216 378 G N -0.975 107.911 108.800 0.143 0.000 2.955 378 G HA2 -0.361 3.610 3.960 0.019 0.000 0.210 378 G HA3 -0.361 3.610 3.960 0.019 0.000 0.210 378 G C 1.250 176.185 174.900 0.058 0.000 1.364 378 G CA 3.724 48.895 45.100 0.117 0.000 0.788 378 G HN 1.381 nan 8.290 nan 0.000 0.715 379 T N -2.499 112.097 114.554 0.069 0.000 8.413 379 T HA -0.304 4.058 4.350 0.019 0.000 0.334 379 T C 1.651 176.353 174.700 0.004 0.000 1.928 379 T CA 2.079 64.192 62.100 0.020 0.000 2.815 379 T CB -1.921 66.933 68.868 -0.023 0.000 2.611 379 T HN 1.614 nan 8.240 nan 0.000 1.239 380 A N 0.383 123.206 122.820 0.004 0.000 2.072 380 A HA 0.346 4.678 4.320 0.019 0.000 0.216 380 A C 2.187 179.747 177.584 -0.040 0.000 1.156 380 A CA 1.657 53.682 52.037 -0.019 0.000 0.701 380 A CB -0.307 18.684 19.000 -0.016 0.000 0.816 380 A HN 0.584 nan 8.150 nan 0.000 0.458 381 E N -0.037 120.143 120.200 -0.033 0.000 2.099 381 E HA 0.210 4.571 4.350 0.019 0.000 0.191 381 E C 2.056 178.593 176.600 -0.105 0.000 0.962 381 E CA 1.091 57.437 56.400 -0.090 0.000 0.826 381 E CB -0.415 29.258 29.700 -0.045 0.000 0.788 381 E HN 0.342 nan 8.360 nan 0.000 0.461 382 A N 1.374 124.188 122.820 -0.011 0.000 1.927 382 A HA -0.327 4.005 4.320 0.019 0.000 0.220 382 A C 2.040 179.630 177.584 0.010 0.000 1.185 382 A CA 2.063 54.116 52.037 0.026 0.000 0.639 382 A CB -0.767 18.263 19.000 0.050 0.000 0.820 382 A HN 0.386 nan 8.150 nan 0.000 0.451 383 E N -0.367 119.827 120.200 -0.009 0.000 2.055 383 E HA -0.306 4.055 4.350 0.019 0.000 0.209 383 E C 2.067 178.698 176.600 0.052 0.000 1.036 383 E CA 2.065 58.468 56.400 0.006 0.000 0.849 383 E CB -0.257 29.426 29.700 -0.029 0.000 0.767 383 E HN 0.675 nan 8.360 nan 0.000 0.461 384 K N 0.055 120.453 120.400 -0.005 0.000 2.052 384 K HA -0.239 4.092 4.320 0.019 0.000 0.215 384 K C 2.303 179.044 176.600 0.235 0.000 1.053 384 K CA 2.050 58.400 56.287 0.105 0.000 0.934 384 K CB -0.629 31.771 32.500 -0.167 0.000 0.717 384 K HN 0.181 nan 8.250 nan 0.000 0.450 385 V N 0.398 120.402 119.914 0.151 0.000 2.343 385 V HA -0.107 4.025 4.120 0.019 0.000 0.247 385 V C 1.751 177.926 176.094 0.135 0.000 1.051 385 V CA 2.009 64.435 62.300 0.210 0.000 1.036 385 V CB -0.656 31.309 31.823 0.236 0.000 0.654 385 V HN 0.302 nan 8.190 nan 0.000 0.451 386 A N -1.659 121.231 122.820 0.117 0.000 2.207 386 A HA 0.163 4.494 4.320 0.019 0.000 0.205 386 A C 1.462 179.153 177.584 0.178 0.000 1.310 386 A CA 1.429 53.528 52.037 0.102 0.000 0.926 386 A CB -0.949 18.094 19.000 0.072 0.000 0.778 386 A HN 1.024 nan 8.150 nan 0.000 0.497 387 F N -2.256 117.708 119.950 0.022 0.000 2.157 387 F HA 0.188 4.726 4.527 0.019 0.000 0.277 387 F C 1.224 177.045 175.800 0.034 0.000 0.904 387 F CA 0.241 58.252 58.000 0.019 0.000 1.121 387 F CB -0.279 38.729 39.000 0.013 0.000 1.195 387 F HN 0.047 nan 8.300 nan 0.000 0.726 388 L N 1.309 122.338 121.223 -0.324 0.000 1.963 388 L HA -0.311 4.040 4.340 0.019 0.000 0.220 388 L C 2.847 179.605 176.870 -0.187 0.000 1.076 388 L CA 2.308 56.971 54.840 -0.294 0.000 0.772 388 L CB -1.186 40.866 42.059 -0.012 0.000 0.892 388 L HN 0.664 nan 8.230 nan 0.000 0.435 389 C N -1.100 118.165 119.300 -0.060 0.000 3.047 389 C HA 0.498 4.969 4.460 0.019 0.000 0.286 389 C C 1.483 176.437 174.990 -0.059 0.000 1.337 389 C CA 0.477 59.478 59.018 -0.029 0.000 1.696 389 C CB -0.416 27.346 27.740 0.036 0.000 2.160 389 C HN 0.551 nan 8.230 nan 0.000 0.545 390 G N 0.095 108.867 108.800 -0.046 0.000 2.894 390 G HA2 0.510 4.481 3.960 0.019 0.000 0.164 390 G HA3 0.510 4.481 3.960 0.019 0.000 0.164 390 G C 0.170 175.061 174.900 -0.014 0.000 1.180 390 G CA -0.041 45.030 45.100 -0.047 0.000 0.997 390 G HN 1.566 nan 8.290 nan 0.000 0.572 391 I N -2.052 118.505 120.570 -0.021 0.000 3.944 391 I HA -0.282 3.899 4.170 0.019 0.000 0.142 391 I C -1.335 174.795 176.117 0.022 0.000 1.034 391 I CA 0.927 62.222 61.300 -0.008 0.000 2.464 391 I CB -0.917 37.069 38.000 -0.023 0.000 1.345 391 I HN 0.524 nan 8.210 nan 0.000 0.424 392 N N 0.554 119.266 118.700 0.019 0.000 2.454 392 N HA 0.542 5.293 4.740 0.019 0.000 0.291 392 N C 0.123 175.645 175.510 0.021 0.000 1.079 392 N CA 0.035 53.102 53.050 0.029 0.000 0.893 392 N CB 1.818 40.316 38.487 0.019 0.000 1.512 392 N HN 0.925 nan 8.380 nan 0.000 0.497 393 A N 0.781 123.618 122.820 0.028 0.000 2.369 393 A HA -0.062 4.269 4.320 0.019 0.000 0.206 393 A C 1.371 178.955 177.584 -0.001 0.000 1.330 393 A CA 2.005 54.052 52.037 0.017 0.000 0.768 393 A CB -0.881 18.126 19.000 0.013 0.000 0.755 393 A HN 0.769 nan 8.150 nan 0.000 0.543 394 G N -2.551 106.247 108.800 -0.003 0.000 3.102 394 G HA2 0.078 4.049 3.960 0.019 0.000 0.204 394 G HA3 0.078 4.049 3.960 0.019 0.000 0.204 394 G C 0.845 175.737 174.900 -0.013 0.000 1.155 394 G CA 0.829 45.921 45.100 -0.014 0.000 0.931 394 G HN 0.310 nan 8.290 nan 0.000 0.691 395 D N 0.925 121.321 120.400 -0.007 0.000 2.190 395 D HA -0.072 4.579 4.640 0.019 0.000 0.200 395 D C 1.962 178.254 176.300 -0.013 0.000 0.992 395 D CA 0.925 54.919 54.000 -0.010 0.000 0.854 395 D CB 0.233 41.027 40.800 -0.009 0.000 0.936 395 D HN 0.509 nan 8.370 nan 0.000 0.462 396 L N -2.536 118.681 121.223 -0.010 0.000 2.718 396 L HA 0.319 4.670 4.340 0.019 0.000 0.166 396 L C 1.203 178.061 176.870 -0.020 0.000 1.893 396 L CA -0.852 53.982 54.840 -0.010 0.000 2.845 396 L CB -0.535 41.526 42.059 0.004 0.000 2.993 396 L HN -0.025 nan 8.230 nan 0.000 0.684 397 L N -1.906 119.303 121.223 -0.024 0.000 7.540 397 L HA -0.411 3.940 4.340 0.019 0.000 0.063 397 L C 1.384 178.233 176.870 -0.036 0.000 1.331 397 L CA 1.049 55.861 54.840 -0.046 0.000 1.527 397 L CB -1.591 40.429 42.059 -0.066 0.000 2.835 397 L HN 1.048 nan 8.230 nan 0.000 1.154 398 K N -0.360 120.016 120.400 -0.041 0.000 3.999 398 K HA -0.338 3.994 4.320 0.019 0.000 0.269 398 K C 0.787 177.371 176.600 -0.027 0.000 0.686 398 K CA 2.372 58.640 56.287 -0.031 0.000 1.053 398 K CB -1.894 30.590 32.500 -0.027 0.000 0.744 398 K HN 1.319 nan 8.250 nan 0.000 0.793 399 A N 1.453 124.259 122.820 -0.025 0.000 2.900 399 A HA 0.379 4.711 4.320 0.019 0.000 0.246 399 A C 1.008 178.579 177.584 -0.022 0.000 1.725 399 A CA 0.702 52.723 52.037 -0.025 0.000 1.400 399 A CB -0.750 18.236 19.000 -0.022 0.000 0.973 399 A HN 0.525 nan 8.150 nan 0.000 0.635 400 L N -1.597 119.613 121.223 -0.021 0.000 3.756 400 L HA 0.095 4.447 4.340 0.019 0.000 0.396 400 L C 0.213 177.081 176.870 -0.004 0.000 0.950 400 L CA 1.090 55.926 54.840 -0.006 0.000 1.666 400 L CB -0.488 41.572 42.059 0.002 0.000 2.391 400 L HN 0.400 nan 8.230 nan 0.000 0.600 401 L N -0.302 120.908 121.223 -0.021 0.000 2.948 401 L HA 0.459 4.810 4.340 0.019 0.000 0.259 401 L C -0.339 176.521 176.870 -0.015 0.000 1.136 401 L CA 0.166 54.993 54.840 -0.021 0.000 0.959 401 L CB 0.254 42.274 42.059 -0.064 0.000 1.370 401 L HN 0.154 nan 8.230 nan 0.000 0.552 402 K N -1.398 118.989 120.400 -0.021 0.000 2.911 402 K HA 0.375 4.707 4.320 0.019 0.000 0.239 402 K C -2.998 173.589 176.600 -0.021 0.000 1.371 402 K CA -0.673 55.604 56.287 -0.017 0.000 0.872 402 K CB 0.252 32.743 32.500 -0.014 0.000 1.322 402 K HN -0.162 nan 8.250 nan 0.000 0.527 403 P HA 0.228 nan 4.420 nan 0.000 0.329 403 P C -1.082 176.203 177.300 -0.024 0.000 1.319 403 P CA -0.463 62.620 63.100 -0.029 0.000 0.742 403 P CB 0.460 32.135 31.700 -0.041 0.000 1.564 404 K N -0.765 119.620 120.400 -0.025 0.000 2.615 404 K HA 0.404 4.735 4.320 0.019 0.000 0.249 404 K C -0.814 175.773 176.600 -0.021 0.000 0.977 404 K CA -0.840 55.435 56.287 -0.019 0.000 0.833 404 K CB 0.687 33.179 32.500 -0.014 0.000 1.208 404 K HN 0.222 nan 8.250 nan 0.000 0.443 405 V N 0.178 120.081 119.914 -0.020 0.000 2.811 405 V HA 0.284 4.416 4.120 0.019 0.000 0.302 405 V C 0.580 176.668 176.094 -0.010 0.000 1.063 405 V CA -0.697 61.592 62.300 -0.018 0.000 1.088 405 V CB 0.199 32.014 31.823 -0.013 0.000 0.982 405 V HN 0.568 nan 8.190 nan 0.000 0.485 409 T N 0.760 115.315 114.554 0.002 0.000 2.623 409 T HA -0.328 4.033 4.350 0.019 0.000 0.091 409 T C 0.399 175.100 174.700 0.000 0.000 1.728 409 T CA 1.496 63.597 62.100 0.000 0.000 0.719 409 T CB -0.939 67.929 68.868 -0.000 0.000 0.776 409 T HN 1.845 nan 8.240 nan 0.000 0.369 410 E N 0.474 120.674 120.200 -0.000 0.000 4.220 410 E HA -0.141 4.220 4.350 0.019 0.000 0.160 410 E C -0.461 176.138 176.600 -0.001 0.000 1.630 410 E CA 0.558 56.958 56.400 -0.000 0.000 0.960 410 E CB -1.469 28.232 29.700 0.002 0.000 1.061 410 E HN 0.668 nan 8.360 nan 0.000 0.360 411 M N 2.268 121.866 119.600 -0.003 0.000 2.162 411 M HA 0.327 4.818 4.480 0.019 0.000 0.356 411 M C 0.524 176.821 176.300 -0.005 0.000 1.303 411 M CA -0.256 55.041 55.300 -0.005 0.000 1.116 411 M CB 0.941 33.537 32.600 -0.007 0.000 1.632 411 M HN 0.113 nan 8.290 nan 0.000 0.469 412 V N 2.153 122.063 119.914 -0.006 0.000 3.166 412 V HA 0.716 4.847 4.120 0.019 0.000 0.317 412 V C -0.007 176.083 176.094 -0.006 0.000 1.136 412 V CA -0.606 61.692 62.300 -0.004 0.000 1.035 412 V CB 2.263 34.086 31.823 -0.001 0.000 1.110 412 V HN 0.922 nan 8.190 nan 0.000 0.450 413 T N 1.339 115.892 114.554 -0.003 0.000 3.746 413 T HA 0.195 4.557 4.350 0.019 0.000 0.254 413 T C -0.582 174.120 174.700 0.004 0.000 0.628 413 T CA -0.939 61.160 62.100 -0.003 0.000 1.163 413 T CB 0.113 68.978 68.868 -0.006 0.000 1.083 413 T HN 0.803 nan 8.240 nan 0.000 0.521 418 L N 2.774 124.049 121.223 0.086 0.000 2.463 418 L HA -0.445 3.907 4.340 0.019 0.000 0.225 418 L C 1.681 178.626 176.870 0.124 0.000 1.130 418 L CA 2.671 57.576 54.840 0.109 0.000 0.859 418 L CB -1.004 41.117 42.059 0.104 0.000 0.936 418 L HN 0.300 nan 8.230 nan 0.000 0.452 419 Q N 0.176 120.035 119.800 0.099 0.000 2.344 419 Q HA -0.281 4.070 4.340 0.019 0.000 0.212 419 Q C 1.439 177.503 176.000 0.107 0.000 0.991 419 Q CA 1.932 57.789 55.803 0.089 0.000 0.897 419 Q CB -0.576 28.203 28.738 0.067 0.000 0.915 419 Q HN 0.903 nan 8.270 nan 0.000 0.438 420 Q N 0.176 120.055 119.800 0.131 0.000 2.929 420 Q HA 0.156 4.508 4.340 0.019 0.000 0.260 420 Q C 1.639 177.741 176.000 0.171 0.000 1.149 420 Q CA 0.405 56.306 55.803 0.164 0.000 0.546 420 Q CB -0.275 28.577 28.738 0.190 0.000 5.136 420 Q HN 0.044 nan 8.270 nan 0.000 0.357 421 V N -2.950 117.073 119.914 0.183 0.000 0.634 421 V HA -0.443 3.688 4.120 0.019 0.000 0.092 421 V C 1.795 178.022 176.094 0.221 0.000 1.477 421 V CA 2.353 64.782 62.300 0.215 0.000 3.275 421 V CB -2.236 29.760 31.823 0.289 0.000 0.536 421 V HN 0.805 nan 8.190 nan 0.000 0.542 422 I N 2.267 122.958 120.570 0.201 0.000 2.181 422 I HA -0.279 3.903 4.170 0.019 0.000 0.247 422 I C 2.358 178.570 176.117 0.158 0.000 1.081 422 I CA 3.123 64.518 61.300 0.159 0.000 1.340 422 I CB -2.035 36.027 38.000 0.102 0.000 1.036 422 I HN 0.799 nan 8.210 nan 0.000 0.417 423 N N 0.668 119.452 118.700 0.141 0.000 2.109 423 N HA -0.094 4.657 4.740 0.019 0.000 0.188 423 N C 1.880 177.477 175.510 0.145 0.000 1.034 423 N CA 1.303 54.425 53.050 0.122 0.000 0.846 423 N CB -0.804 37.757 38.487 0.123 0.000 1.010 423 N HN 0.120 nan 8.380 nan 0.000 0.425 424 S N -0.130 115.676 115.700 0.176 0.000 2.428 424 S HA -0.121 4.360 4.470 0.019 0.000 0.240 424 S C 1.834 176.529 174.600 0.159 0.000 1.036 424 S CA 1.035 59.335 58.200 0.167 0.000 1.009 424 S CB -0.270 63.022 63.200 0.152 0.000 0.803 424 S HN 0.154 nan 8.310 nan 0.000 0.486 425 V N 0.078 120.099 119.914 0.178 0.000 2.403 425 V HA 0.137 4.268 4.120 0.019 0.000 0.239 425 V C 1.860 178.012 176.094 0.097 0.000 1.041 425 V CA 1.134 63.556 62.300 0.204 0.000 1.051 425 V CB -1.199 30.819 31.823 0.325 0.000 0.704 425 V HN 0.456 nan 8.190 nan 0.000 0.472 426 G N -0.634 108.197 108.800 0.052 0.000 2.991 426 G HA2 0.417 4.389 3.960 0.019 0.000 0.262 426 G HA3 0.417 4.389 3.960 0.019 0.000 0.262 426 G C 0.443 175.325 174.900 -0.030 0.000 0.765 426 G CA 1.042 46.075 45.100 -0.110 0.000 2.051 426 G HN 0.695 nan 8.290 nan 0.000 0.602 427 A N -0.786 122.031 122.820 -0.005 0.000 1.544 427 A HA 0.388 4.719 4.320 0.019 0.000 0.206 427 A C 2.124 179.745 177.584 0.061 0.000 1.895 427 A CA 1.003 53.066 52.037 0.044 0.000 1.585 427 A CB -0.806 18.251 19.000 0.096 0.000 1.485 427 A HN 1.217 nan 8.150 nan 0.000 0.342 428 L N 0.545 121.822 121.223 0.089 0.000 1.973 428 L HA 0.027 4.378 4.340 0.019 0.000 0.208 428 L C 2.679 179.617 176.870 0.113 0.000 1.073 428 L CA 3.362 58.275 54.840 0.121 0.000 0.746 428 L CB -2.288 39.866 42.059 0.157 0.000 0.891 428 L HN 0.742 nan 8.230 nan 0.000 0.433 429 S N 0.219 115.977 115.700 0.096 0.000 2.400 429 S HA -0.271 4.210 4.470 0.019 0.000 0.234 429 S C 2.296 176.937 174.600 0.068 0.000 1.049 429 S CA 2.654 60.902 58.200 0.081 0.000 1.039 429 S CB -1.098 62.068 63.200 -0.056 0.000 0.856 429 S HN 1.092 nan 8.310 nan 0.000 0.465 430 K N 1.573 121.981 120.400 0.013 0.000 1.986 430 K HA 0.071 4.402 4.320 0.019 0.000 0.215 430 K C 2.255 178.921 176.600 0.109 0.000 1.033 430 K CA 1.505 57.821 56.287 0.048 0.000 0.962 430 K CB -1.714 30.788 32.500 0.003 0.000 0.755 430 K HN 0.247 nan 8.250 nan 0.000 0.444 431 S N 0.462 116.207 115.700 0.074 0.000 2.426 431 S HA -0.268 4.214 4.470 0.019 0.000 0.253 431 S C 1.970 176.602 174.600 0.053 0.000 1.104 431 S CA 2.298 60.533 58.200 0.058 0.000 1.158 431 S CB -0.576 62.662 63.200 0.063 0.000 1.043 431 S HN 0.583 nan 8.310 nan 0.000 0.443 432 L N 0.415 121.695 121.223 0.095 0.000 1.929 432 L HA -0.141 4.210 4.340 0.019 0.000 0.229 432 L C 2.019 178.971 176.870 0.138 0.000 1.086 432 L CA 2.753 57.657 54.840 0.107 0.000 0.798 432 L CB -1.322 40.850 42.059 0.188 0.000 0.898 432 L HN 0.501 nan 8.230 nan 0.000 0.436 433 Y N 0.603 120.957 120.300 0.089 0.000 2.181 433 Y HA -0.410 4.151 4.550 0.018 0.000 0.279 433 Y C 2.271 178.251 175.900 0.134 0.000 1.228 433 Y CA 2.208 60.398 58.100 0.151 0.000 1.164 433 Y CB -0.702 37.860 38.460 0.171 0.000 0.959 433 Y HN 0.732 nan 8.280 nan 0.000 0.521 434 D N -1.027 119.449 120.400 0.127 0.000 2.088 434 D HA -0.195 4.456 4.640 0.019 0.000 0.196 434 D C 2.231 178.527 176.300 -0.007 0.000 0.983 434 D CA 2.190 56.204 54.000 0.024 0.000 0.846 434 D CB -0.256 40.563 40.800 0.032 0.000 0.992 434 D HN 0.296 nan 8.370 nan 0.000 0.448 435 R N -0.580 119.898 120.500 -0.037 0.000 2.133 435 R HA -0.204 4.148 4.340 0.019 0.000 0.245 435 R C 2.303 178.607 176.300 0.006 0.000 1.137 435 R CA 2.240 58.297 56.100 -0.073 0.000 0.947 435 R CB -0.822 29.338 30.300 -0.234 0.000 0.865 435 R HN 0.468 nan 8.270 nan 0.000 0.437 436 M N -1.455 118.136 119.600 -0.015 0.000 2.740 436 M HA 0.093 4.584 4.480 0.019 0.000 0.230 436 M C 1.066 177.293 176.300 -0.120 0.000 1.100 436 M CA 1.401 56.683 55.300 -0.029 0.000 1.047 436 M CB -0.038 32.505 32.600 -0.095 0.000 1.652 436 M HN 0.015 nan 8.290 nan 0.000 0.528 437 F N 0.310 120.104 119.950 -0.260 0.000 2.537 437 F HA 0.305 4.843 4.527 0.018 0.000 0.277 437 F C 1.887 177.543 175.800 -0.240 0.000 1.013 437 F CA 0.518 58.278 58.000 -0.399 0.000 1.332 437 F CB 0.049 38.788 39.000 -0.435 0.000 1.108 437 F HN 0.150 nan 8.300 nan 0.000 0.679 438 N N -0.118 118.598 118.700 0.025 0.000 2.184 438 N HA -0.289 4.462 4.740 0.019 0.000 0.190 438 N C 1.608 177.037 175.510 -0.135 0.000 1.011 438 N CA 1.881 54.895 53.050 -0.061 0.000 0.867 438 N CB -0.570 37.876 38.487 -0.068 0.000 0.993 438 N HN 0.398 nan 8.380 nan 0.000 0.433 439 W N 2.099 123.259 121.300 -0.234 0.000 2.322 439 W HA -0.095 4.575 4.660 0.017 0.000 0.326 439 W C 2.373 178.717 176.519 -0.293 0.000 1.224 439 W CA 1.046 58.248 57.345 -0.239 0.000 1.257 439 W CB -0.698 28.615 29.460 -0.245 0.000 1.174 439 W HN -0.060 nan 8.180 nan 0.000 0.460 440 L N -0.438 120.749 121.223 -0.060 0.000 2.011 440 L HA -0.409 3.942 4.340 0.019 0.000 0.225 440 L C 2.121 178.863 176.870 -0.214 0.000 1.084 440 L CA 2.138 56.833 54.840 -0.241 0.000 0.791 440 L CB -1.844 39.778 42.059 -0.728 0.000 0.898 440 L HN -0.032 nan 8.230 nan 0.000 0.440 441 V N -0.293 119.444 119.914 -0.295 0.000 2.215 441 V HA -0.400 3.732 4.120 0.019 0.000 0.246 441 V C 2.921 178.894 176.094 -0.201 0.000 1.047 441 V CA 3.245 65.413 62.300 -0.219 0.000 0.999 441 V CB -1.296 30.413 31.823 -0.190 0.000 0.635 441 V HN 0.609 nan 8.190 nan 0.000 0.450 442 K N -0.488 119.754 120.400 -0.264 0.000 2.170 442 K HA -0.399 3.932 4.320 0.019 0.000 0.217 442 K C 2.151 178.594 176.600 -0.262 0.000 0.877 442 K CA 3.068 59.153 56.287 -0.337 0.000 0.997 442 K CB -1.323 30.805 32.500 -0.620 0.000 0.964 442 K HN 0.535 nan 8.250 nan 0.000 0.519 443 R N -0.302 120.056 120.500 -0.236 0.000 2.052 443 R HA 0.015 4.367 4.340 0.019 0.000 0.224 443 R C 2.702 178.981 176.300 -0.035 0.000 1.149 443 R CA 1.528 57.566 56.100 -0.103 0.000 0.962 443 R CB -0.886 29.429 30.300 0.024 0.000 0.856 443 R HN 0.638 nan 8.270 nan 0.000 0.433 444 V N 1.699 121.624 119.914 0.018 0.000 2.265 444 V HA -0.443 3.688 4.120 0.019 0.000 0.260 444 V C 1.721 177.803 176.094 -0.021 0.000 1.084 444 V CA 2.663 64.982 62.300 0.032 0.000 1.086 444 V CB -1.607 30.205 31.823 -0.018 0.000 0.704 444 V HN 0.604 nan 8.190 nan 0.000 0.457 445 N N -0.487 118.177 118.700 -0.060 0.000 2.354 445 N HA -0.142 4.609 4.740 0.019 0.000 0.179 445 N C 1.895 177.361 175.510 -0.072 0.000 1.021 445 N CA 0.614 53.624 53.050 -0.067 0.000 0.887 445 N CB -0.331 38.106 38.487 -0.083 0.000 0.974 445 N HN 0.407 nan 8.380 nan 0.000 0.437 446 R N 0.946 121.396 120.500 -0.084 0.000 2.196 446 R HA -0.243 4.108 4.340 0.019 0.000 0.244 446 R C 2.470 178.721 176.300 -0.082 0.000 1.121 446 R CA 2.250 58.296 56.100 -0.090 0.000 0.930 446 R CB -1.711 28.531 30.300 -0.097 0.000 0.890 446 R HN 0.452 nan 8.270 nan 0.000 0.435 447 T N 1.266 115.767 114.554 -0.087 0.000 2.653 447 T HA -0.188 4.173 4.350 0.019 0.000 0.267 447 T C 1.725 176.385 174.700 -0.066 0.000 1.037 447 T CA 2.296 64.344 62.100 -0.087 0.000 1.159 447 T CB -0.202 68.610 68.868 -0.093 0.000 0.859 447 T HN 0.410 nan 8.240 nan 0.000 0.449 448 L N -0.927 120.262 121.223 -0.057 0.000 2.667 448 L HA 0.542 4.893 4.340 0.019 0.000 0.232 448 L C 1.015 177.858 176.870 -0.046 0.000 1.138 448 L CA -0.037 54.776 54.840 -0.045 0.000 0.921 448 L CB 0.007 42.044 42.059 -0.037 0.000 1.180 448 L HN -0.052 nan 8.230 nan 0.000 0.487 449 D N 2.063 122.428 120.400 -0.058 0.000 3.038 449 D HA 0.013 4.664 4.640 0.019 0.000 0.243 449 D C 0.926 177.190 176.300 -0.061 0.000 1.245 449 D CA 0.224 54.187 54.000 -0.061 0.000 0.871 449 D CB 0.465 41.220 40.800 -0.076 0.000 1.089 449 D HN 0.305 nan 8.370 nan 0.000 0.464 450 T N -1.287 113.236 114.554 -0.052 0.000 4.287 450 T HA -0.135 4.227 4.350 0.019 0.000 0.253 450 T C 1.215 175.877 174.700 -0.062 0.000 0.904 450 T CA -0.371 61.697 62.100 -0.053 0.000 1.004 450 T CB -0.835 68.006 68.868 -0.045 0.000 1.271 450 T HN 0.304 nan 8.240 nan 0.000 0.681 451 K N -0.076 120.282 120.400 -0.071 0.000 2.835 451 K HA -0.003 4.328 4.320 0.019 0.000 0.217 451 K C 1.744 178.290 176.600 -0.089 0.000 0.901 451 K CA 0.685 56.919 56.287 -0.088 0.000 0.970 451 K CB -0.803 31.648 32.500 -0.082 0.000 0.806 451 K HN 0.465 nan 8.250 nan 0.000 0.466 452 A N 1.534 124.307 122.820 -0.079 0.000 2.024 452 A HA -0.155 4.176 4.320 0.019 0.000 0.220 452 A C 0.176 177.709 177.584 -0.084 0.000 1.164 452 A CA 1.017 53.012 52.037 -0.071 0.000 0.643 452 A CB -0.389 18.574 19.000 -0.061 0.000 0.806 452 A HN 0.611 nan 8.150 nan 0.000 0.451 453 K N -1.186 119.143 120.400 -0.118 0.000 6.826 453 K HA -0.110 4.221 4.320 0.019 0.000 0.788 453 K C -1.149 175.382 176.600 -0.115 0.000 2.287 453 K CA 0.584 56.778 56.287 -0.154 0.000 1.704 453 K CB -0.195 32.227 32.500 -0.130 0.000 2.053 453 K HN 0.619 nan 8.250 nan 0.000 0.296 454 R N 2.615 123.044 120.500 -0.120 0.000 2.639 454 R HA 0.151 4.502 4.340 0.019 0.000 0.273 454 R C -0.676 175.597 176.300 -0.046 0.000 1.732 454 R CA -1.089 54.961 56.100 -0.083 0.000 1.586 454 R CB 0.277 30.535 30.300 -0.070 0.000 1.263 454 R HN 0.529 nan 8.270 nan 0.000 0.615 455 N N 2.852 121.515 118.700 -0.061 0.000 2.752 455 N HA -0.272 4.480 4.740 0.019 0.000 0.308 455 N C -0.424 175.349 175.510 0.439 0.000 1.201 455 N CA 1.488 54.525 53.050 -0.021 0.000 0.717 455 N CB -0.865 37.189 38.487 -0.723 0.000 1.028 455 N HN 0.631 nan 8.380 nan 0.000 0.558 456 Y N -2.206 118.442 120.300 0.580 0.000 2.509 456 Y HA -0.255 4.306 4.550 0.018 0.000 0.287 456 Y C 0.173 176.425 175.900 0.587 0.000 1.674 456 Y CA -0.297 58.156 58.100 0.588 0.000 1.427 456 Y CB -0.598 38.033 38.460 0.285 0.000 2.061 456 Y HN 0.635 nan 8.280 nan 0.000 0.279 457 Y N -1.761 118.652 120.300 0.188 0.000 2.925 457 Y HA 0.641 5.202 4.550 0.018 0.000 0.349 457 Y C -0.311 175.446 175.900 -0.238 0.000 1.342 457 Y CA -0.915 57.151 58.100 -0.057 0.000 1.093 457 Y CB -0.095 38.148 38.460 -0.361 0.000 1.571 457 Y HN 0.548 nan 8.280 nan 0.000 0.438 458 I N 0.215 120.554 120.570 -0.386 0.000 5.955 458 I HA 0.970 5.152 4.170 0.019 0.000 0.214 458 I C 0.585 176.674 176.117 -0.046 0.000 0.896 458 I CA -0.560 60.540 61.300 -0.332 0.000 1.593 458 I CB 0.088 37.864 38.000 -0.373 0.000 1.367 458 I HN 1.370 nan 8.210 nan 0.000 0.446 459 G N 0.229 109.063 108.800 0.057 0.000 2.944 459 G HA2 0.251 4.222 3.960 0.019 0.000 0.471 459 G HA3 0.251 4.222 3.960 0.019 0.000 0.471 459 G C -1.407 173.685 174.900 0.319 0.000 1.388 459 G CA -0.663 44.617 45.100 0.301 0.000 1.087 459 G HN 0.449 nan 8.290 nan 0.000 0.596 460 V N 4.319 124.387 119.914 0.258 0.000 2.384 460 V HA 0.677 4.808 4.120 0.019 0.000 0.287 460 V C 0.353 176.625 176.094 0.296 0.000 1.020 460 V CA -1.002 61.393 62.300 0.159 0.000 0.850 460 V CB 1.569 33.416 31.823 0.040 0.000 0.987 460 V HN 0.815 nan 8.190 nan 0.000 0.436 461 L N 4.719 126.002 121.223 0.101 0.000 2.334 461 L HA 0.777 5.128 4.340 0.019 0.000 0.272 461 L C -0.956 175.890 176.870 -0.041 0.000 1.020 461 L CA -0.070 54.771 54.840 0.002 0.000 0.812 461 L CB 1.890 43.788 42.059 -0.268 0.000 1.264 461 L HN 0.914 nan 8.230 nan 0.000 0.439 462 D N 4.430 124.807 120.400 -0.039 0.000 2.977 462 D HA 0.553 5.205 4.640 0.019 0.000 0.220 462 D C -1.519 174.717 176.300 -0.106 0.000 1.267 462 D CA -0.374 53.579 54.000 -0.079 0.000 0.884 462 D CB 1.563 42.318 40.800 -0.076 0.000 1.667 462 D HN 0.477 nan 8.370 nan 0.000 0.536 463 I N 1.743 122.238 120.570 -0.125 0.000 2.763 463 I HA 0.597 4.778 4.170 0.019 0.000 0.292 463 I C -0.899 175.152 176.117 -0.110 0.000 1.610 463 I CA -0.370 60.852 61.300 -0.130 0.000 1.002 463 I CB 1.316 39.248 38.000 -0.114 0.000 1.416 463 I HN 0.794 nan 8.210 nan 0.000 0.479 464 A N 3.638 126.393 122.820 -0.107 0.000 2.644 464 A HA 0.352 4.684 4.320 0.019 0.000 0.230 464 A C 0.797 178.351 177.584 -0.050 0.000 1.080 464 A CA 0.817 52.807 52.037 -0.078 0.000 0.773 464 A CB -0.360 18.597 19.000 -0.072 0.000 1.007 464 A HN 1.400 nan 8.150 nan 0.000 0.512 465 G N -0.326 108.460 108.800 -0.023 0.000 4.975 465 G HA2 0.498 4.470 3.960 0.019 0.000 0.312 465 G HA3 0.498 4.470 3.960 0.019 0.000 0.312 465 G C -0.190 174.796 174.900 0.144 0.000 1.425 465 G CA -0.124 44.997 45.100 0.034 0.000 1.076 465 G HN 1.465 nan 8.290 nan 0.000 0.586 466 F N 0.735 120.626 119.950 -0.098 0.000 2.117 466 F HA -0.208 4.330 4.527 0.018 0.000 0.474 466 F C 0.010 175.706 175.800 -0.174 0.000 1.237 466 F CA 0.331 58.254 58.000 -0.129 0.000 1.530 466 F CB 0.108 39.043 39.000 -0.109 0.000 2.435 466 F HN 0.539 nan 8.300 nan 0.000 0.727 467 E N 7.720 127.837 120.200 -0.139 0.000 2.216 467 E HA 0.636 4.997 4.350 0.019 0.000 0.260 467 E C -0.853 175.582 176.600 -0.275 0.000 0.880 467 E CA -0.950 55.275 56.400 -0.292 0.000 0.765 467 E CB 2.047 31.409 29.700 -0.565 0.000 1.174 467 E HN 0.627 nan 8.360 nan 0.000 0.417 468 I N 2.052 122.555 120.570 -0.112 0.000 2.411 468 I HA 0.700 4.882 4.170 0.019 0.000 0.284 468 I C -0.714 175.544 176.117 0.234 0.000 1.012 468 I CA -0.817 60.538 61.300 0.091 0.000 1.119 468 I CB 0.387 38.501 38.000 0.191 0.000 1.261 468 I HN 0.618 nan 8.210 nan 0.000 0.448 469 F N 2.032 122.070 119.950 0.145 0.000 2.744 469 F HA 0.381 4.919 4.527 0.019 0.000 0.311 469 F C 0.154 176.045 175.800 0.153 0.000 1.144 469 F CA -1.235 56.856 58.000 0.152 0.000 0.938 469 F CB 0.872 39.969 39.000 0.163 0.000 1.292 469 F HN 0.415 nan 8.300 nan 0.000 0.444 470 D N 0.830 121.366 120.400 0.226 0.000 6.851 470 D HA -0.332 4.319 4.640 0.019 0.000 0.280 470 D C -0.114 176.324 176.300 0.229 0.000 2.027 470 D CA 2.794 56.870 54.000 0.127 0.000 0.642 470 D CB -0.426 40.374 40.800 -0.000 0.000 0.345 470 D HN 0.383 nan 8.370 nan 0.000 1.120 471 F N 0.913 120.859 119.950 -0.007 0.000 2.576 471 F HA 0.475 5.013 4.527 0.018 0.000 0.313 471 F C -1.218 174.707 175.800 0.207 0.000 1.078 471 F CA -1.267 56.778 58.000 0.075 0.000 0.921 471 F CB 1.599 40.602 39.000 0.005 0.000 1.232 471 F HN -0.322 nan 8.300 nan 0.000 0.459 472 N N 3.218 121.591 118.700 -0.546 0.000 2.461 472 N HA 0.360 5.112 4.740 0.019 0.000 0.284 472 N C -1.176 174.113 175.510 -0.369 0.000 1.049 472 N CA -0.400 52.531 53.050 -0.198 0.000 0.889 472 N CB 2.018 40.689 38.487 0.308 0.000 1.365 472 N HN 0.570 nan 8.380 nan 0.000 0.499 473 S N 0.502 116.067 115.700 -0.225 0.000 2.823 473 S HA 0.423 4.904 4.470 0.019 0.000 0.316 473 S C 0.508 174.960 174.600 -0.247 0.000 1.116 473 S CA -0.494 57.717 58.200 0.019 0.000 0.911 473 S CB 0.432 63.607 63.200 -0.042 0.000 1.276 473 S HN 0.372 nan 8.310 nan 0.000 0.565 474 F N 1.730 120.907 119.950 -1.288 0.000 2.529 474 F HA 0.039 4.578 4.527 0.019 0.000 0.297 474 F C 1.433 176.708 175.800 -0.874 0.000 1.114 474 F CA 1.462 58.271 58.000 -1.985 0.000 1.467 474 F CB -0.267 37.371 39.000 -2.270 0.000 1.096 474 F HN 0.551 nan 8.300 nan 0.000 0.586 475 E N -0.222 119.619 120.200 -0.598 0.000 2.024 475 E HA -0.117 4.245 4.350 0.019 0.000 0.190 475 E C 2.128 178.509 176.600 -0.365 0.000 0.974 475 E CA 1.016 57.166 56.400 -0.417 0.000 0.810 475 E CB -0.522 29.060 29.700 -0.196 0.000 0.775 475 E HN 0.185 nan 8.360 nan 0.000 0.453 476 Q N 0.938 120.589 119.800 -0.247 0.000 1.998 476 Q HA -0.154 4.198 4.340 0.019 0.000 0.209 476 Q C 2.049 177.834 176.000 -0.358 0.000 1.002 476 Q CA 1.089 56.780 55.803 -0.187 0.000 0.858 476 Q CB -0.952 27.789 28.738 0.006 0.000 0.932 476 Q HN 0.269 nan 8.270 nan 0.000 0.416 477 L N 0.014 120.889 121.223 -0.581 0.000 2.468 477 L HA -0.244 4.107 4.340 0.019 0.000 0.225 477 L C 1.404 177.997 176.870 -0.461 0.000 1.139 477 L CA 1.722 56.115 54.840 -0.745 0.000 0.792 477 L CB -0.953 40.638 42.059 -0.780 0.000 0.916 477 L HN 0.350 nan 8.230 nan 0.000 0.446 478 C N -0.369 118.666 119.300 -0.442 0.000 2.522 478 C HA 0.008 4.480 4.460 0.019 0.000 0.280 478 C C 2.782 177.691 174.990 -0.136 0.000 1.303 478 C CA 0.134 58.984 59.018 -0.280 0.000 1.709 478 C CB -0.422 27.150 27.740 -0.280 0.000 2.071 478 C HN 0.540 nan 8.230 nan 0.000 0.492 479 I N 1.811 122.262 120.570 -0.197 0.000 2.202 479 I HA -0.198 3.983 4.170 0.019 0.000 0.242 479 I C 1.988 177.940 176.117 -0.274 0.000 1.091 479 I CA 1.673 62.860 61.300 -0.189 0.000 1.368 479 I CB -0.583 37.296 38.000 -0.202 0.000 1.058 479 I HN 0.492 nan 8.210 nan 0.000 0.410 480 N N -0.276 118.148 118.700 -0.459 0.000 2.430 480 N HA -0.262 4.489 4.740 0.019 0.000 0.186 480 N C 1.692 176.955 175.510 -0.413 0.000 1.032 480 N CA 0.811 53.415 53.050 -0.742 0.000 0.893 480 N CB -0.109 37.905 38.487 -0.789 0.000 0.957 480 N HN 0.369 nan 8.380 nan 0.000 0.442 481 Y N 1.582 121.666 120.300 -0.360 0.000 2.448 481 Y HA 0.066 4.628 4.550 0.019 0.000 0.289 481 Y C 2.007 177.810 175.900 -0.162 0.000 1.114 481 Y CA 0.723 58.674 58.100 -0.249 0.000 1.235 481 Y CB -0.381 37.905 38.460 -0.290 0.000 1.045 481 Y HN -0.091 nan 8.280 nan 0.000 0.554 482 T N 0.933 115.307 114.554 -0.300 0.000 2.673 482 T HA -0.112 4.249 4.350 0.019 0.000 0.248 482 T C 1.659 176.272 174.700 -0.145 0.000 1.080 482 T CA 1.098 63.018 62.100 -0.299 0.000 1.203 482 T CB -0.452 68.323 68.868 -0.155 0.000 0.893 482 T HN 0.287 nan 8.240 nan 0.000 0.404 483 N N 1.328 120.008 118.700 -0.034 0.000 2.064 483 N HA -0.238 4.513 4.740 0.019 0.000 0.200 483 N C 1.943 177.612 175.510 0.265 0.000 1.028 483 N CA 2.087 55.222 53.050 0.141 0.000 0.880 483 N CB -0.676 37.986 38.487 0.293 0.000 1.062 483 N HN 0.534 nan 8.380 nan 0.000 0.454 484 E N 1.337 121.700 120.200 0.271 0.000 2.086 484 E HA -0.276 4.086 4.350 0.019 0.000 0.205 484 E C 2.024 178.794 176.600 0.284 0.000 1.027 484 E CA 2.142 58.756 56.400 0.357 0.000 0.830 484 E CB -0.340 29.389 29.700 0.049 0.000 0.751 484 E HN 0.411 nan 8.360 nan 0.000 0.456 485 R N -0.655 119.920 120.500 0.124 0.000 2.148 485 R HA -0.066 4.285 4.340 0.019 0.000 0.227 485 R C 2.045 178.428 176.300 0.139 0.000 1.103 485 R CA 1.016 57.173 56.100 0.095 0.000 0.983 485 R CB -0.391 29.850 30.300 -0.098 0.000 0.874 485 R HN 0.312 nan 8.270 nan 0.000 0.451 486 L N 0.904 122.192 121.223 0.108 0.000 1.913 486 L HA -0.166 4.185 4.340 0.019 0.000 0.217 486 L C 2.078 179.104 176.870 0.260 0.000 1.086 486 L CA 1.822 56.743 54.840 0.135 0.000 0.772 486 L CB -1.212 40.894 42.059 0.079 0.000 0.887 486 L HN 0.324 nan 8.230 nan 0.000 0.432 487 Q N -0.181 119.755 119.800 0.227 0.000 2.078 487 Q HA -0.429 3.922 4.340 0.019 0.000 0.222 487 Q C 2.050 178.207 176.000 0.261 0.000 1.073 487 Q CA 3.022 58.928 55.803 0.172 0.000 0.926 487 Q CB -1.065 27.645 28.738 -0.046 0.000 1.054 487 Q HN 0.754 nan 8.270 nan 0.000 0.450 488 Q N -0.487 119.457 119.800 0.240 0.000 2.388 488 Q HA -0.249 4.102 4.340 0.019 0.000 0.216 488 Q C 1.767 177.944 176.000 0.294 0.000 0.997 488 Q CA 2.156 58.104 55.803 0.242 0.000 0.923 488 Q CB -0.547 28.338 28.738 0.245 0.000 0.922 488 Q HN 0.438 nan 8.270 nan 0.000 0.435 489 F N 0.504 120.551 119.950 0.161 0.000 2.128 489 F HA -0.072 4.466 4.527 0.018 0.000 0.295 489 F C 1.758 177.608 175.800 0.084 0.000 1.100 489 F CA 1.284 59.251 58.000 -0.055 0.000 1.260 489 F CB -0.736 38.170 39.000 -0.158 0.000 1.009 489 F HN 0.217 nan 8.300 nan 0.000 0.476 490 F N 1.553 121.466 119.950 -0.061 0.000 2.011 490 F HA -0.291 4.248 4.527 0.020 0.000 0.296 490 F C 2.329 178.042 175.800 -0.145 0.000 1.144 490 F CA 2.506 60.352 58.000 -0.257 0.000 1.185 490 F CB -1.053 37.662 39.000 -0.474 0.000 0.961 490 F HN 0.034 nan 8.300 nan 0.000 0.485 491 N N -0.673 117.809 118.700 -0.364 0.000 2.055 491 N HA -0.425 4.327 4.740 0.019 0.000 0.200 491 N C 1.852 177.321 175.510 -0.068 0.000 1.037 491 N CA 1.959 54.850 53.050 -0.264 0.000 0.881 491 N CB -0.879 37.642 38.487 0.057 0.000 1.075 491 N HN 0.489 nan 8.380 nan 0.000 0.470 492 H N 0.411 119.434 119.070 -0.079 0.000 2.272 492 H HA -0.264 4.303 4.556 0.019 0.000 0.289 492 H C 2.213 177.507 175.328 -0.056 0.000 1.100 492 H CA 2.632 58.633 56.048 -0.078 0.000 1.209 492 H CB -0.708 29.031 29.762 -0.037 0.000 1.348 492 H HN 0.363 nan 8.280 nan 0.000 0.481 493 H N -0.102 118.739 119.070 -0.381 0.000 2.265 493 H HA -0.224 4.343 4.556 0.019 0.000 0.293 493 H C 2.653 177.781 175.328 -0.333 0.000 1.089 493 H CA 2.394 58.192 56.048 -0.416 0.000 1.244 493 H CB -0.687 28.824 29.762 -0.418 0.000 1.355 493 H HN 0.553 nan 8.280 nan 0.000 0.485 494 M N -1.063 118.319 119.600 -0.364 0.000 2.267 494 M HA -0.167 4.325 4.480 0.019 0.000 0.263 494 M C 1.593 177.848 176.300 -0.074 0.000 1.063 494 M CA 1.626 56.728 55.300 -0.329 0.000 1.090 494 M CB -0.250 32.055 32.600 -0.492 0.000 1.392 494 M HN 0.331 nan 8.290 nan 0.000 0.422 495 F N -0.521 119.339 119.950 -0.151 0.000 2.699 495 F HA -0.045 4.493 4.527 0.018 0.000 0.298 495 F C 1.586 177.139 175.800 -0.413 0.000 1.154 495 F CA 0.838 58.608 58.000 -0.383 0.000 1.457 495 F CB 0.147 38.603 39.000 -0.906 0.000 1.106 495 F HN 0.020 nan 8.300 nan 0.000 0.585 496 V N -0.359 119.351 119.914 -0.341 0.000 2.949 496 V HA -0.037 4.094 4.120 0.019 0.000 0.245 496 V C 1.723 177.621 176.094 -0.326 0.000 1.086 496 V CA 0.958 63.053 62.300 -0.343 0.000 1.097 496 V CB 0.131 31.765 31.823 -0.316 0.000 0.762 496 V HN 0.246 nan 8.190 nan 0.000 0.470 497 L N 0.132 121.147 121.223 -0.347 0.000 2.552 497 L HA 0.070 4.421 4.340 0.019 0.000 0.227 497 L C 2.208 178.954 176.870 -0.207 0.000 1.146 497 L CA 1.224 55.911 54.840 -0.254 0.000 0.858 497 L CB -0.311 41.595 42.059 -0.256 0.000 0.969 497 L HN 0.350 nan 8.230 nan 0.000 0.451 498 E N -0.894 119.123 120.200 -0.305 0.000 2.207 498 E HA -0.107 4.254 4.350 0.019 0.000 0.197 498 E C 1.830 178.071 176.600 -0.597 0.000 0.914 498 E CA 0.271 56.412 56.400 -0.432 0.000 0.914 498 E CB -0.060 29.380 29.700 -0.433 0.000 0.893 498 E HN 0.243 nan 8.360 nan 0.000 0.479 499 Q N 1.885 121.313 119.800 -0.620 0.000 2.250 499 Q HA -0.253 4.098 4.340 0.019 0.000 0.215 499 Q C 1.656 177.467 176.000 -0.315 0.000 1.002 499 Q CA 2.045 57.511 55.803 -0.561 0.000 0.910 499 Q CB -0.068 28.349 28.738 -0.536 0.000 0.939 499 Q HN 0.260 nan 8.270 nan 0.000 0.416 500 E N -0.501 119.558 120.200 -0.234 0.000 3.227 500 E HA -0.096 4.265 4.350 0.019 0.000 0.455 500 E C 1.125 177.699 176.600 -0.044 0.000 0.292 500 E CA 0.636 56.971 56.400 -0.108 0.000 2.635 500 E CB -0.309 29.341 29.700 -0.084 0.000 2.232 500 E HN 0.353 nan 8.360 nan 0.000 0.443 501 E N -1.062 119.152 120.200 0.024 0.000 3.883 501 E HA -0.379 3.982 4.350 0.019 0.000 0.217 501 E C 1.784 178.551 176.600 0.279 0.000 1.230 501 E CA 2.590 59.088 56.400 0.164 0.000 2.071 501 E CB -1.238 28.602 29.700 0.234 0.000 1.857 501 E HN 0.536 nan 8.360 nan 0.000 0.270 502 Y N -0.391 119.919 120.300 0.018 0.000 2.139 502 Y HA -0.275 4.286 4.550 0.019 0.000 0.282 502 Y C 2.814 178.669 175.900 -0.075 0.000 1.179 502 Y CA 2.215 60.269 58.100 -0.076 0.000 1.161 502 Y CB -1.515 36.884 38.460 -0.102 0.000 0.970 502 Y HN 0.464 nan 8.280 nan 0.000 0.511 503 K N 0.935 121.408 120.400 0.121 0.000 2.148 503 K HA -0.132 4.200 4.320 0.019 0.000 0.204 503 K C 1.898 178.519 176.600 0.035 0.000 1.050 503 K CA 1.723 58.035 56.287 0.041 0.000 0.942 503 K CB -0.755 31.746 32.500 0.002 0.000 0.724 503 K HN 0.458 nan 8.250 nan 0.000 0.446 504 K N 0.298 120.732 120.400 0.055 0.000 2.504 504 K HA -0.000 4.331 4.320 0.019 0.000 0.199 504 K C -0.027 176.604 176.600 0.052 0.000 1.028 504 K CA 0.385 56.700 56.287 0.046 0.000 1.164 504 K CB 0.453 32.982 32.500 0.049 0.000 0.877 504 K HN 0.238 nan 8.250 nan 0.000 0.508 505 E N -0.673 119.553 120.200 0.043 0.000 3.067 505 E HA 0.107 4.468 4.350 0.019 0.000 0.188 505 E C 0.531 177.093 176.600 -0.065 0.000 0.964 505 E CA 0.319 56.724 56.400 0.008 0.000 1.286 505 E CB 0.923 30.655 29.700 0.054 0.000 1.051 505 E HN 0.415 nan 8.360 nan 0.000 0.465 506 G N 1.865 110.638 108.800 -0.044 0.000 2.413 506 G HA2 -0.357 3.615 3.960 0.019 0.000 0.259 506 G HA3 -0.357 3.615 3.960 0.019 0.000 0.259 506 G C 0.648 175.482 174.900 -0.111 0.000 1.003 506 G CA 1.209 46.270 45.100 -0.065 0.000 0.629 506 G HN 0.447 nan 8.290 nan 0.000 0.548 507 I N -1.068 119.391 120.570 -0.185 0.000 2.918 507 I HA 0.767 4.948 4.170 0.019 0.000 0.316 507 I C -0.447 175.594 176.117 -0.127 0.000 1.001 507 I CA -0.771 60.367 61.300 -0.270 0.000 1.142 507 I CB 1.697 39.347 38.000 -0.583 0.000 1.356 507 I HN 0.231 nan 8.210 nan 0.000 0.524 508 Q N 5.147 124.908 119.800 -0.064 0.000 2.837 508 Q HA 0.106 4.457 4.340 0.019 0.000 0.239 508 Q C -2.272 173.881 176.000 0.254 0.000 1.001 508 Q CA -0.540 55.363 55.803 0.167 0.000 0.960 508 Q CB 1.467 30.270 28.738 0.107 0.000 1.923 508 Q HN 0.953 nan 8.270 nan 0.000 0.471 509 W N 5.402 126.747 121.300 0.075 0.000 2.258 509 W HA 0.209 4.880 4.660 0.019 0.000 0.287 509 W C -0.444 176.075 176.519 -0.000 0.000 1.024 509 W CA -0.636 56.709 57.345 -0.001 0.000 1.377 509 W CB 0.831 30.276 29.460 -0.025 0.000 1.351 509 W HN 0.562 nan 8.180 nan 0.000 0.334 510 E N 3.481 123.685 120.200 0.008 0.000 3.225 510 E HA -0.195 4.166 4.350 0.019 0.000 0.289 510 E C -0.786 175.343 176.600 -0.786 0.000 0.885 510 E CA 1.204 57.420 56.400 -0.306 0.000 0.986 510 E CB 0.726 30.366 29.700 -0.101 0.000 0.971 510 E HN 0.598 nan 8.360 nan 0.000 0.508 511 F N 0.177 119.858 119.950 -0.448 0.000 3.338 511 F HA 0.444 4.982 4.527 0.019 0.000 0.332 511 F C -0.700 175.066 175.800 -0.057 0.000 1.290 511 F CA -1.412 56.382 58.000 -0.343 0.000 1.000 511 F CB 1.042 39.928 39.000 -0.190 0.000 1.576 511 F HN 0.260 nan 8.300 nan 0.000 0.514 512 I N 0.314 120.983 120.570 0.165 0.000 2.447 512 I HA 0.255 4.436 4.170 0.019 0.000 0.287 512 I C -0.542 175.266 176.117 -0.516 0.000 1.023 512 I CA -0.712 60.511 61.300 -0.128 0.000 1.083 512 I CB 1.124 39.038 38.000 -0.143 0.000 1.245 512 I HN 0.307 nan 8.210 nan 0.000 0.434 513 D N 5.877 125.525 120.400 -1.254 0.000 2.668 513 D HA -0.127 4.524 4.640 0.019 0.000 0.285 513 D C 0.893 176.641 176.300 -0.920 0.000 1.492 513 D CA 0.554 53.271 54.000 -2.138 0.000 1.237 513 D CB 0.251 40.226 40.800 -1.375 0.000 1.153 513 D HN 0.531 nan 8.370 nan 0.000 0.571 514 F N 1.941 121.684 119.950 -0.346 0.000 2.085 514 F HA -0.170 4.368 4.527 0.019 0.000 0.299 514 F C 2.686 178.391 175.800 -0.158 0.000 1.096 514 F CA 0.860 58.733 58.000 -0.212 0.000 1.227 514 F CB -1.456 37.450 39.000 -0.157 0.000 0.983 514 F HN 0.358 nan 8.300 nan 0.000 0.482 515 G N 1.243 110.057 108.800 0.022 0.000 2.550 515 G HA2 -0.340 3.631 3.960 0.019 0.000 0.222 515 G HA3 -0.340 3.631 3.960 0.019 0.000 0.222 515 G C 1.453 176.367 174.900 0.024 0.000 1.113 515 G CA 1.336 46.472 45.100 0.060 0.000 0.748 515 G HN 0.596 nan 8.290 nan 0.000 0.585 516 M N 0.701 120.247 119.600 -0.090 0.000 2.608 516 M HA 0.341 4.832 4.480 0.019 0.000 0.224 516 M C 1.204 177.488 176.300 -0.026 0.000 1.204 516 M CA 1.207 56.467 55.300 -0.067 0.000 0.984 516 M CB 0.239 32.752 32.600 -0.144 0.000 1.691 516 M HN 0.124 nan 8.290 nan 0.000 0.469 517 D N 0.534 120.943 120.400 0.015 0.000 2.388 517 D HA -0.015 4.636 4.640 0.019 0.000 0.208 517 D C 1.663 178.016 176.300 0.088 0.000 1.035 517 D CA 0.383 54.406 54.000 0.038 0.000 0.875 517 D CB -0.150 40.673 40.800 0.038 0.000 0.984 517 D HN 0.514 nan 8.370 nan 0.000 0.508 518 L N -0.278 121.017 121.223 0.119 0.000 2.095 518 L HA -0.048 4.304 4.340 0.019 0.000 0.204 518 L C 2.581 179.551 176.870 0.167 0.000 1.080 518 L CA 0.590 55.538 54.840 0.180 0.000 0.759 518 L CB -0.780 41.414 42.059 0.225 0.000 0.914 518 L HN 0.106 nan 8.230 nan 0.000 0.439 519 Q N 0.336 120.211 119.800 0.125 0.000 2.084 519 Q HA -0.425 3.927 4.340 0.019 0.000 0.215 519 Q C 2.550 178.621 176.000 0.118 0.000 1.020 519 Q CA 3.416 59.282 55.803 0.106 0.000 0.887 519 Q CB -0.619 28.152 28.738 0.054 0.000 0.975 519 Q HN 0.557 nan 8.270 nan 0.000 0.413 520 M N -0.053 119.608 119.600 0.102 0.000 2.422 520 M HA -0.326 4.165 4.480 0.019 0.000 0.252 520 M C 2.579 178.966 176.300 0.145 0.000 1.058 520 M CA 2.968 58.331 55.300 0.105 0.000 1.060 520 M CB -2.593 30.067 32.600 0.100 0.000 1.305 520 M HN 0.653 nan 8.290 nan 0.000 0.435 521 C N -0.510 118.904 119.300 0.190 0.000 2.485 521 C HA 0.190 4.662 4.460 0.019 0.000 0.278 521 C C 2.556 177.686 174.990 0.233 0.000 1.356 521 C CA 0.985 60.146 59.018 0.238 0.000 1.747 521 C CB -1.342 26.584 27.740 0.310 0.000 2.001 521 C HN 0.716 nan 8.230 nan 0.000 0.501 522 I N 1.382 122.084 120.570 0.220 0.000 2.394 522 I HA -0.021 4.160 4.170 0.019 0.000 0.251 522 I C 1.361 177.578 176.117 0.167 0.000 1.136 522 I CA 1.505 62.943 61.300 0.230 0.000 1.425 522 I CB -0.608 37.520 38.000 0.214 0.000 1.079 522 I HN 0.205 nan 8.210 nan 0.000 0.425 523 D N -0.068 120.414 120.400 0.137 0.000 2.676 523 D HA 0.111 4.763 4.640 0.019 0.000 0.239 523 D C 1.487 177.861 176.300 0.122 0.000 1.213 523 D CA 0.262 54.326 54.000 0.107 0.000 0.835 523 D CB 0.107 40.958 40.800 0.084 0.000 1.009 523 D HN 0.234 nan 8.370 nan 0.000 0.479 524 L N -0.486 120.818 121.223 0.135 0.000 2.624 524 L HA 0.164 4.515 4.340 0.019 0.000 0.222 524 L C 1.369 178.315 176.870 0.127 0.000 1.046 524 L CA 0.258 55.196 54.840 0.162 0.000 0.872 524 L CB 0.254 42.413 42.059 0.167 0.000 1.190 524 L HN 0.032 nan 8.230 nan 0.000 0.487 525 I N -2.357 118.246 120.570 0.054 0.000 3.196 525 I HA 0.086 4.267 4.170 0.019 0.000 0.248 525 I C 2.229 178.305 176.117 -0.069 0.000 1.105 525 I CA 0.957 62.239 61.300 -0.030 0.000 1.482 525 I CB -0.799 37.111 38.000 -0.149 0.000 1.400 525 I HN 0.134 nan 8.210 nan 0.000 0.464 526 E N 2.781 122.911 120.200 -0.116 0.000 2.171 526 E HA -0.240 4.122 4.350 0.019 0.000 0.197 526 E C 1.209 177.821 176.600 0.020 0.000 0.997 526 E CA 0.703 57.074 56.400 -0.049 0.000 0.810 526 E CB -0.168 29.578 29.700 0.076 0.000 0.738 526 E HN 0.427 nan 8.360 nan 0.000 0.467 527 K N 1.301 121.729 120.400 0.046 0.000 2.530 527 K HA -0.056 4.275 4.320 0.019 0.000 0.280 527 K C -1.887 174.753 176.600 0.066 0.000 1.004 527 K CA -0.813 55.513 56.287 0.065 0.000 1.071 527 K CB 0.657 33.213 32.500 0.093 0.000 0.876 527 K HN -0.104 nan 8.250 nan 0.000 0.487 528 P HA -0.242 nan 4.420 nan 0.000 0.203 528 P C 0.814 178.162 177.300 0.079 0.000 1.087 528 P CA 1.595 64.730 63.100 0.058 0.000 0.952 528 P CB 0.000 31.730 31.700 0.049 0.000 0.758 529 M N -0.122 119.527 119.600 0.081 0.000 3.484 529 M HA 0.135 4.626 4.480 0.019 0.000 0.196 529 M C 0.624 177.008 176.300 0.139 0.000 1.359 529 M CA -0.266 55.095 55.300 0.101 0.000 1.510 529 M CB -1.089 31.552 32.600 0.069 0.000 1.284 529 M HN -0.071 nan 8.290 nan 0.000 0.463 530 G N 0.406 109.300 108.800 0.156 0.000 2.666 530 G HA2 0.218 4.189 3.960 0.019 0.000 0.207 530 G HA3 0.218 4.189 3.960 0.019 0.000 0.207 530 G C 0.526 175.588 174.900 0.270 0.000 1.481 530 G CA -0.386 44.844 45.100 0.217 0.000 1.071 530 G HN 0.579 nan 8.290 nan 0.000 0.572 531 I N -0.967 119.713 120.570 0.182 0.000 2.810 531 I HA 0.165 4.346 4.170 0.019 0.000 0.262 531 I C 2.459 178.652 176.117 0.126 0.000 1.131 531 I CA 0.498 61.885 61.300 0.145 0.000 1.453 531 I CB -0.143 37.876 38.000 0.033 0.000 1.161 531 I HN 0.485 nan 8.210 nan 0.000 0.444 532 L N 0.864 122.133 121.223 0.076 0.000 2.077 532 L HA -0.364 3.987 4.340 0.019 0.000 0.231 532 L C 2.241 179.148 176.870 0.062 0.000 1.100 532 L CA 2.755 57.621 54.840 0.044 0.000 0.819 532 L CB -0.820 41.221 42.059 -0.030 0.000 0.913 532 L HN 0.318 nan 8.230 nan 0.000 0.446 533 S N -0.253 115.485 115.700 0.064 0.000 2.436 533 S HA 0.051 4.532 4.470 0.019 0.000 0.228 533 S C 1.768 176.405 174.600 0.061 0.000 1.014 533 S CA 0.849 59.083 58.200 0.057 0.000 0.950 533 S CB -0.292 62.946 63.200 0.063 0.000 0.784 533 S HN 0.662 nan 8.310 nan 0.000 0.504 534 I N 1.108 121.723 120.570 0.074 0.000 3.291 534 I HA 0.068 4.249 4.170 0.019 0.000 0.279 534 I C 1.375 177.548 176.117 0.094 0.000 1.294 534 I CA 0.953 62.243 61.300 -0.016 0.000 1.428 534 I CB -0.652 37.253 38.000 -0.157 0.000 1.070 534 I HN 0.264 nan 8.210 nan 0.000 0.478 535 L N 0.570 121.883 121.223 0.150 0.000 2.349 535 L HA 0.152 4.504 4.340 0.019 0.000 0.200 535 L C 2.041 178.787 176.870 -0.207 0.000 1.064 535 L CA 0.858 55.679 54.840 -0.031 0.000 0.821 535 L CB -0.451 41.718 42.059 0.184 0.000 1.027 535 L HN 0.150 nan 8.230 nan 0.000 0.476 536 E N 0.824 120.982 120.200 -0.069 0.000 1.928 536 E HA -0.324 4.037 4.350 0.019 0.000 0.215 536 E C 1.595 178.150 176.600 -0.074 0.000 0.926 536 E CA 1.535 57.893 56.400 -0.069 0.000 0.951 536 E CB -0.426 29.269 29.700 -0.008 0.000 0.826 536 E HN 0.459 nan 8.360 nan 0.000 0.587 537 E N 1.086 121.271 120.200 -0.024 0.000 2.335 537 E HA -0.330 4.031 4.350 0.019 0.000 0.236 537 E C 1.063 177.668 176.600 0.009 0.000 1.103 537 E CA 1.993 58.386 56.400 -0.011 0.000 1.010 537 E CB -0.283 29.427 29.700 0.018 0.000 0.859 537 E HN 0.139 nan 8.360 nan 0.000 0.473 538 E N -1.002 119.222 120.200 0.040 0.000 3.603 538 E HA -0.077 4.284 4.350 0.019 0.000 0.281 538 E C -0.295 176.260 176.600 -0.076 0.000 1.407 538 E CA 0.334 56.796 56.400 0.105 0.000 1.463 538 E CB -0.604 29.097 29.700 0.001 0.000 1.211 538 E HN 0.341 nan 8.360 nan 0.000 0.440 539 C N -0.168 119.103 119.300 -0.049 0.000 3.505 539 C HA 0.135 4.606 4.460 0.019 0.000 0.571 539 C C 1.858 176.792 174.990 -0.093 0.000 1.337 539 C CA -0.366 58.578 59.018 -0.124 0.000 2.562 539 C CB -0.155 27.480 27.740 -0.174 0.000 3.703 539 C HN 0.541 nan 8.230 nan 0.000 0.526 540 M N 0.834 120.388 119.600 -0.076 0.000 2.067 540 M HA 0.043 4.534 4.480 0.019 0.000 0.260 540 M C 0.956 177.275 176.300 0.032 0.000 1.069 540 M CA 1.053 56.293 55.300 -0.099 0.000 1.117 540 M CB -1.577 30.968 32.600 -0.093 0.000 1.334 540 M HN 0.368 nan 8.290 nan 0.000 0.407 541 F N 2.734 122.639 119.950 -0.076 0.000 2.350 541 F HA -0.147 4.392 4.527 0.019 0.000 0.420 541 F C -1.364 174.409 175.800 -0.045 0.000 0.939 541 F CA -0.952 57.024 58.000 -0.040 0.000 1.066 541 F CB 0.225 39.208 39.000 -0.029 0.000 0.876 541 F HN 0.069 nan 8.300 nan 0.000 0.515 542 P HA -0.156 nan 4.420 nan 0.000 0.219 542 P C -0.150 177.178 177.300 0.047 0.000 1.150 542 P CA 1.162 64.335 63.100 0.123 0.000 0.814 542 P CB 0.140 31.910 31.700 0.118 0.000 0.787 543 K N 0.772 121.182 120.400 0.016 0.000 2.187 543 K HA 0.377 4.709 4.320 0.019 0.000 0.242 543 K C -0.489 175.941 176.600 -0.284 0.000 1.179 543 K CA -0.371 55.832 56.287 -0.140 0.000 1.097 543 K CB -0.567 31.830 32.500 -0.171 0.000 1.634 543 K HN -0.088 nan 8.250 nan 0.000 0.335 544 A N 3.383 126.106 122.820 -0.163 0.000 3.079 544 A HA 0.081 4.412 4.320 0.019 0.000 0.315 544 A C 0.569 178.080 177.584 -0.122 0.000 1.334 544 A CA -0.545 51.389 52.037 -0.171 0.000 1.048 544 A CB 0.090 19.012 19.000 -0.129 0.000 1.156 544 A HN 0.724 nan 8.150 nan 0.000 0.523 545 D N 0.645 120.972 120.400 -0.120 0.000 2.194 545 D HA -0.089 4.563 4.640 0.019 0.000 0.204 545 D C 0.201 176.469 176.300 -0.053 0.000 0.964 545 D CA 1.603 55.558 54.000 -0.075 0.000 0.846 545 D CB 0.358 41.115 40.800 -0.071 0.000 0.962 545 D HN 0.612 nan 8.370 nan 0.000 0.490 546 D N -1.472 118.899 120.400 -0.048 0.000 2.298 546 D HA -0.195 4.456 4.640 0.019 0.000 0.235 546 D C 1.269 177.579 176.300 0.018 0.000 1.073 546 D CA 1.540 55.536 54.000 -0.006 0.000 1.654 546 D CB -0.988 39.800 40.800 -0.020 0.000 1.389 546 D HN 0.237 nan 8.370 nan 0.000 0.662 547 K N 1.053 121.440 120.400 -0.022 0.000 2.026 547 K HA -0.152 4.179 4.320 0.019 0.000 0.208 547 K C 2.050 178.623 176.600 -0.046 0.000 1.048 547 K CA 2.477 58.734 56.287 -0.050 0.000 0.929 547 K CB -0.156 32.314 32.500 -0.049 0.000 0.713 547 K HN 0.364 nan 8.250 nan 0.000 0.439 548 S N 0.468 116.147 115.700 -0.033 0.000 2.368 548 S HA -0.259 4.223 4.470 0.019 0.000 0.226 548 S C 1.930 176.568 174.600 0.064 0.000 1.044 548 S CA 1.425 59.612 58.200 -0.021 0.000 1.062 548 S CB -0.978 62.154 63.200 -0.113 0.000 0.931 548 S HN 0.418 nan 8.310 nan 0.000 0.440 549 F N 2.952 122.811 119.950 -0.152 0.000 2.069 549 F HA -0.039 4.499 4.527 0.019 0.000 0.298 549 F C 2.556 178.232 175.800 -0.207 0.000 1.113 549 F CA 1.486 59.366 58.000 -0.200 0.000 1.214 549 F CB -1.394 37.456 39.000 -0.250 0.000 0.978 549 F HN 0.440 nan 8.300 nan 0.000 0.474 550 Q N 0.577 120.208 119.800 -0.282 0.000 1.554 550 Q HA -0.331 4.020 4.340 0.019 0.000 0.499 550 Q C 1.917 177.608 176.000 -0.515 0.000 1.014 550 Q CA 2.819 58.335 55.803 -0.478 0.000 0.872 550 Q CB -0.936 27.595 28.738 -0.344 0.000 0.949 550 Q HN 0.444 nan 8.270 nan 0.000 0.377 551 D N -1.245 118.933 120.400 -0.371 0.000 2.204 551 D HA -0.261 4.390 4.640 0.019 0.000 0.189 551 D C 1.593 177.880 176.300 -0.021 0.000 1.006 551 D CA 1.841 55.686 54.000 -0.257 0.000 0.855 551 D CB -0.498 40.259 40.800 -0.072 0.000 0.946 551 D HN 0.448 nan 8.370 nan 0.000 0.448 552 Y N 1.673 121.901 120.300 -0.120 0.000 2.003 552 Y HA -0.381 4.180 4.550 0.019 0.000 0.261 552 Y C 2.439 178.341 175.900 0.004 0.000 1.211 552 Y CA 1.898 59.980 58.100 -0.030 0.000 1.098 552 Y CB -1.096 37.362 38.460 -0.003 0.000 0.925 552 Y HN -0.068 nan 8.280 nan 0.000 0.498 553 S N -0.208 115.577 115.700 0.143 0.000 2.400 553 S HA -0.263 4.218 4.470 0.019 0.000 0.234 553 S C 1.585 176.480 174.600 0.492 0.000 1.049 553 S CA 1.479 59.771 58.200 0.153 0.000 1.039 553 S CB -0.728 62.305 63.200 -0.279 0.000 0.856 553 S HN 0.613 nan 8.310 nan 0.000 0.465 554 Y N 0.303 120.694 120.300 0.153 0.000 3.116 554 Y HA 0.020 4.581 4.550 0.019 0.000 0.208 554 Y C 2.477 178.449 175.900 0.121 0.000 0.836 554 Y CA 0.458 58.640 58.100 0.137 0.000 0.881 554 Y CB -0.966 37.532 38.460 0.062 0.000 1.086 554 Y HN 0.294 nan 8.280 nan 0.000 0.556 555 Q N 1.204 121.157 119.800 0.256 0.000 2.370 555 Q HA -0.317 4.034 4.340 0.019 0.000 0.266 555 Q C -0.331 175.700 176.000 0.052 0.000 1.094 555 Q CA 2.054 57.910 55.803 0.088 0.000 0.972 555 Q CB -2.799 25.935 28.738 -0.007 0.000 1.413 555 Q HN 0.845 nan 8.270 nan 0.000 0.536 556 N N -6.268 112.470 118.700 0.064 0.000 2.942 556 N HA 0.014 4.765 4.740 0.019 0.000 0.317 556 N C 0.388 175.923 175.510 0.041 0.000 1.206 556 N CA 0.747 53.788 53.050 -0.016 0.000 0.783 556 N CB -0.271 38.154 38.487 -0.104 0.000 1.799 556 N HN 0.574 nan 8.380 nan 0.000 0.303 557 H N -0.969 118.132 119.070 0.051 0.000 1.452 557 H HA -0.264 4.303 4.556 0.019 0.000 0.090 557 H C 0.368 175.664 175.328 -0.053 0.000 0.710 557 H CA 2.125 58.205 56.048 0.052 0.000 1.901 557 H CB -1.497 28.365 29.762 0.166 0.000 2.257 557 H HN 0.712 nan 8.280 nan 0.000 0.961 558 I N 3.294 123.854 120.570 -0.016 0.000 3.022 558 I HA 0.176 4.357 4.170 0.019 0.000 0.290 558 I C 1.085 177.068 176.117 -0.224 0.000 1.212 558 I CA 1.780 62.890 61.300 -0.317 0.000 1.377 558 I CB -0.713 36.603 38.000 -1.141 0.000 1.417 558 I HN 0.677 nan 8.210 nan 0.000 0.540 559 G N 4.528 113.240 108.800 -0.146 0.000 2.502 559 G HA2 0.158 4.130 3.960 0.019 0.000 0.273 559 G HA3 0.158 4.130 3.960 0.019 0.000 0.273 559 G C 0.201 175.052 174.900 -0.082 0.000 1.021 559 G CA 0.466 45.497 45.100 -0.115 0.000 1.333 559 G HN 1.494 nan 8.290 nan 0.000 0.508 560 K N -0.286 120.077 120.400 -0.061 0.000 1.057 560 K HA 0.084 4.415 4.320 0.019 0.000 0.072 560 K C 1.250 177.835 176.600 -0.024 0.000 2.360 560 K CA 1.221 57.480 56.287 -0.046 0.000 0.953 560 K CB -1.290 31.175 32.500 -0.058 0.000 2.617 560 K HN 0.891 nan 8.250 nan 0.000 0.311 561 N N -0.411 118.288 118.700 -0.003 0.000 2.517 561 N HA 0.100 4.851 4.740 0.019 0.000 0.202 561 N C 1.763 177.254 175.510 -0.032 0.000 1.042 561 N CA 3.276 56.343 53.050 0.029 0.000 0.952 561 N CB 1.022 39.583 38.487 0.123 0.000 1.211 561 N HN 1.214 nan 8.380 nan 0.000 0.458 562 R N -0.872 119.564 120.500 -0.106 0.000 1.295 562 R HA -0.128 4.223 4.340 0.019 0.000 0.084 562 R C 1.886 177.996 176.300 -0.317 0.000 0.920 562 R CA 1.313 57.319 56.100 -0.158 0.000 1.945 562 R CB -1.864 28.383 30.300 -0.088 0.000 0.485 562 R HN 0.183 nan 8.270 nan 0.000 0.702 563 M N 0.030 119.473 119.600 -0.262 0.000 2.218 563 M HA 0.498 4.989 4.480 0.019 0.000 0.262 563 M C 0.689 176.186 176.300 -1.339 0.000 1.081 563 M CA 1.438 56.450 55.300 -0.479 0.000 1.100 563 M CB -0.643 32.005 32.600 0.080 0.000 1.258 563 M HN 0.459 nan 8.290 nan 0.000 0.438 564 F N -0.796 119.135 119.950 -0.031 0.000 2.561 564 F HA 0.356 4.895 4.527 0.019 0.000 0.321 564 F C 0.999 176.757 175.800 -0.071 0.000 1.065 564 F CA -1.266 56.683 58.000 -0.085 0.000 0.934 564 F CB 0.947 39.831 39.000 -0.193 0.000 1.215 564 F HN 0.186 nan 8.300 nan 0.000 0.471 565 T N -1.118 113.466 114.554 0.050 0.000 2.619 565 T HA 0.518 4.880 4.350 0.019 0.000 0.330 565 T C -0.173 174.588 174.700 0.102 0.000 1.037 565 T CA -0.355 61.785 62.100 0.067 0.000 1.005 565 T CB 0.340 69.299 68.868 0.151 0.000 1.084 565 T HN 0.806 nan 8.240 nan 0.000 0.521 566 K N 0.326 120.784 120.400 0.098 0.000 2.203 566 K HA 0.622 4.953 4.320 0.019 0.000 0.251 566 K C -1.835 174.818 176.600 0.088 0.000 0.944 566 K CA -2.065 54.321 56.287 0.165 0.000 0.829 566 K CB 0.081 32.651 32.500 0.118 0.000 1.125 566 K HN 0.549 nan 8.250 nan 0.000 0.430 567 P HA -0.291 nan 4.420 nan 0.000 0.222 567 P C 1.130 178.445 177.300 0.025 0.000 1.159 567 P CA 3.145 66.278 63.100 0.055 0.000 0.920 567 P CB 0.143 31.891 31.700 0.079 0.000 0.793 568 G N -2.433 106.383 108.800 0.027 0.000 2.833 568 G HA2 -0.221 3.750 3.960 0.019 0.000 0.260 568 G HA3 -0.221 3.750 3.960 0.019 0.000 0.260 568 G C -0.110 174.797 174.900 0.011 0.000 1.412 568 G CA 0.372 45.481 45.100 0.015 0.000 0.986 568 G HN 0.532 nan 8.290 nan 0.000 0.556 569 K N -0.117 120.288 120.400 0.008 0.000 2.672 569 K HA 0.472 4.804 4.320 0.019 0.000 0.295 569 K C -2.607 173.998 176.600 0.008 0.000 1.042 569 K CA -0.973 55.317 56.287 0.004 0.000 0.869 569 K CB 1.162 33.662 32.500 -0.001 0.000 1.541 569 K HN 0.421 nan 8.250 nan 0.000 0.396 570 P HA -0.173 nan 4.420 nan 0.000 0.273 570 P C -0.118 177.194 177.300 0.021 0.000 1.193 570 P CA 0.647 63.755 63.100 0.015 0.000 0.777 570 P CB 0.470 32.174 31.700 0.006 0.000 0.803 571 T N -0.849 113.723 114.554 0.031 0.000 3.601 571 T HA 0.195 4.556 4.350 0.019 0.000 0.242 571 T C 0.574 175.296 174.700 0.036 0.000 0.958 571 T CA 0.013 62.133 62.100 0.033 0.000 1.120 571 T CB 0.026 68.919 68.868 0.043 0.000 1.154 571 T HN 0.297 nan 8.240 nan 0.000 0.375 572 R N 0.548 121.076 120.500 0.048 0.000 3.112 572 R HA 0.686 5.037 4.340 0.019 0.000 0.227 572 R C -2.479 173.847 176.300 0.044 0.000 1.519 572 R CA -2.080 54.047 56.100 0.045 0.000 1.051 572 R CB 0.734 31.068 30.300 0.057 0.000 1.652 572 R HN 0.196 nan 8.270 nan 0.000 0.517 573 P HA -0.119 nan 4.420 nan 0.000 0.268 573 P C -0.677 176.652 177.300 0.049 0.000 1.189 573 P CA 0.962 64.082 63.100 0.035 0.000 0.771 573 P CB 0.254 31.968 31.700 0.024 0.000 0.822 574 N N -0.829 117.901 118.700 0.050 0.000 6.182 574 N HA -0.215 4.537 4.740 0.019 0.000 0.378 574 N C -0.160 175.407 175.510 0.095 0.000 0.927 574 N CA 0.267 53.364 53.050 0.078 0.000 1.120 574 N CB -0.887 37.652 38.487 0.086 0.000 0.872 574 N HN 0.572 nan 8.380 nan 0.000 0.371 575 Q N -1.034 118.858 119.800 0.153 0.000 3.081 575 Q HA 0.472 4.824 4.340 0.019 0.000 0.219 575 Q C 0.092 176.115 176.000 0.038 0.000 1.169 575 Q CA 0.247 56.089 55.803 0.065 0.000 0.309 575 Q CB 0.599 29.331 28.738 -0.010 0.000 5.821 575 Q HN 0.613 nan 8.270 nan 0.000 0.320 576 G N 0.681 109.437 108.800 -0.074 0.000 4.956 576 G HA2 0.210 4.181 3.960 0.019 0.000 0.290 576 G HA3 0.210 4.181 3.960 0.019 0.000 0.290 576 G C -0.914 173.938 174.900 -0.080 0.000 1.352 576 G CA -0.276 44.802 45.100 -0.037 0.000 0.983 576 G HN 0.459 nan 8.290 nan 0.000 0.581 577 H N 1.645 120.761 119.070 0.076 0.000 2.989 577 H HA 0.320 4.887 4.556 0.019 0.000 0.284 577 H C 1.602 177.021 175.328 0.152 0.000 1.440 577 H CA 0.373 56.474 56.048 0.089 0.000 1.209 577 H CB 0.342 30.141 29.762 0.063 0.000 1.453 577 H HN 0.535 nan 8.280 nan 0.000 0.550 578 A N 0.464 123.406 122.820 0.203 0.000 3.154 578 A HA -0.083 4.248 4.320 0.019 0.000 0.157 578 A C 0.130 177.915 177.584 0.336 0.000 0.966 578 A CA 0.984 53.163 52.037 0.237 0.000 1.076 578 A CB -0.156 18.937 19.000 0.155 0.000 0.868 578 A HN 0.794 nan 8.150 nan 0.000 0.549 579 H N -3.322 115.839 119.070 0.151 0.000 6.346 579 H HA 0.242 4.810 4.556 0.019 0.000 0.896 579 H C -0.382 175.135 175.328 0.314 0.000 1.981 579 H CA 0.205 56.330 56.048 0.129 0.000 1.391 579 H CB -1.369 28.437 29.762 0.073 0.000 4.732 579 H HN 2.123 nan 8.280 nan 0.000 0.697 580 F N 0.977 120.962 119.950 0.058 0.000 1.499 580 F HA -0.192 4.346 4.527 0.019 0.000 0.156 580 F C -0.859 174.965 175.800 0.040 0.000 0.369 580 F CA 1.310 59.354 58.000 0.073 0.000 0.512 580 F CB -0.103 38.949 39.000 0.087 0.000 1.334 580 F HN 0.688 nan 8.300 nan 0.000 0.650 581 E N 2.730 122.663 120.200 -0.445 0.000 2.248 581 E HA 0.816 5.177 4.350 0.019 0.000 0.267 581 E C -1.353 174.733 176.600 -0.857 0.000 0.877 581 E CA -0.405 55.638 56.400 -0.594 0.000 0.759 581 E CB 1.473 31.020 29.700 -0.255 0.000 1.182 581 E HN 1.402 nan 8.360 nan 0.000 0.418 582 L N 1.202 121.812 121.223 -1.022 0.000 2.381 582 L HA 0.913 5.264 4.340 0.019 0.000 0.268 582 L C -0.478 175.466 176.870 -1.543 0.000 0.997 582 L CA -0.151 54.064 54.840 -1.043 0.000 0.818 582 L CB 0.804 42.542 42.059 -0.536 0.000 1.310 582 L HN 0.921 nan 8.230 nan 0.000 0.416 583 H N 0.682 118.354 119.070 -2.330 0.000 2.679 583 H HA 0.853 5.421 4.556 0.019 0.000 0.360 583 H C -0.604 174.264 175.328 -0.766 0.000 1.105 583 H CA -0.082 54.998 56.048 -1.612 0.000 1.196 583 H CB 1.284 30.121 29.762 -1.542 0.000 1.636 583 H HN 1.033 nan 8.280 nan 0.000 0.531 584 H N 0.360 119.335 119.070 -0.158 0.000 3.678 584 H HA 0.305 4.873 4.556 0.019 0.000 0.241 584 H C 0.023 175.358 175.328 0.012 0.000 1.605 584 H CA 0.153 56.203 56.048 0.003 0.000 1.577 584 H CB -0.093 29.669 29.762 -0.001 0.000 0.844 584 H HN 0.763 nan 8.280 nan 0.000 0.817 585 Y N -1.524 118.917 120.300 0.235 0.000 2.453 585 Y HA 0.505 5.066 4.550 0.018 0.000 0.344 585 Y C 0.998 176.864 175.900 -0.058 0.000 1.323 585 Y CA -0.885 57.248 58.100 0.054 0.000 1.526 585 Y CB -0.144 38.333 38.460 0.028 0.000 1.603 585 Y HN 0.696 nan 8.280 nan 0.000 0.563 586 A N -0.209 122.594 122.820 -0.028 0.000 2.826 586 A HA 0.121 4.452 4.320 0.019 0.000 0.274 586 A C 1.278 178.722 177.584 -0.234 0.000 1.443 586 A CA 1.450 53.265 52.037 -0.370 0.000 0.833 586 A CB -2.424 15.747 19.000 -1.381 0.000 1.023 586 A HN 2.855 nan 8.150 nan 0.000 0.600 587 G N -1.470 107.269 108.800 -0.100 0.000 2.598 587 G HA2 0.012 3.983 3.960 0.019 0.000 0.244 587 G HA3 0.012 3.983 3.960 0.019 0.000 0.244 587 G C -0.524 174.280 174.900 -0.160 0.000 1.302 587 G CA 0.280 45.328 45.100 -0.086 0.000 0.903 587 G HN 1.830 nan 8.290 nan 0.000 0.575 588 N N -1.038 117.534 118.700 -0.213 0.000 2.430 588 N HA 0.654 5.405 4.740 0.019 0.000 0.298 588 N C -0.432 174.851 175.510 -0.378 0.000 1.130 588 N CA -0.345 52.442 53.050 -0.438 0.000 0.894 588 N CB 2.196 40.434 38.487 -0.416 0.000 1.209 588 N HN 0.747 nan 8.380 nan 0.000 0.503 589 V N 0.560 120.115 119.914 -0.598 0.000 2.588 589 V HA 0.549 4.681 4.120 0.019 0.000 0.304 589 V C -2.323 173.310 176.094 -0.769 0.000 1.042 589 V CA -1.602 60.347 62.300 -0.584 0.000 0.877 589 V CB 2.217 33.654 31.823 -0.643 0.000 0.996 589 V HN 0.691 nan 8.190 nan 0.000 0.425 590 P HA 0.290 nan 4.420 nan 0.000 0.219 590 P C -0.773 176.485 177.300 -0.070 0.000 1.847 590 P CA -0.274 62.688 63.100 -0.231 0.000 1.059 590 P CB -0.038 31.630 31.700 -0.053 0.000 1.900 591 Y N 0.848 121.231 120.300 0.139 0.000 2.158 591 Y HA 0.335 4.896 4.550 0.019 0.000 0.365 591 Y C 1.632 177.668 175.900 0.226 0.000 1.301 591 Y CA -0.143 58.096 58.100 0.231 0.000 1.735 591 Y CB 0.052 38.777 38.460 0.442 0.000 1.509 591 Y HN 0.325 nan 8.280 nan 0.000 0.657 592 S N 0.760 116.577 115.700 0.195 0.000 2.582 592 S HA 0.432 4.914 4.470 0.019 0.000 0.287 592 S C -1.434 172.688 174.600 -0.797 0.000 1.146 592 S CA -1.066 56.931 58.200 -0.338 0.000 0.941 592 S CB 0.910 64.047 63.200 -0.105 0.000 1.115 592 S HN 0.729 nan 8.310 nan 0.000 0.458 593 I N 2.286 121.900 120.570 -1.593 0.000 2.664 593 I HA 0.868 5.050 4.170 0.019 0.000 0.308 593 I C -0.339 175.182 176.117 -0.992 0.000 0.984 593 I CA 0.211 60.267 61.300 -2.073 0.000 1.213 593 I CB 1.118 38.205 38.000 -1.521 0.000 1.379 593 I HN 1.733 nan 8.210 nan 0.000 0.501 594 A N 4.136 126.670 122.820 -0.478 0.000 0.663 594 A HA 0.477 4.808 4.320 0.019 0.000 0.177 594 A C 0.202 177.878 177.584 0.155 0.000 0.845 594 A CA 0.027 52.021 52.037 -0.071 0.000 0.486 594 A CB -1.285 17.693 19.000 -0.036 0.000 0.373 594 A HN 2.315 nan 8.150 nan 0.000 0.331 595 G N -0.022 108.843 108.800 0.109 0.000 2.157 595 G HA2 -0.304 3.667 3.960 0.019 0.000 0.239 595 G HA3 -0.304 3.667 3.960 0.019 0.000 0.239 595 G C 0.727 175.685 174.900 0.097 0.000 0.982 595 G CA 1.075 46.231 45.100 0.094 0.000 0.650 595 G HN 1.407 nan 8.290 nan 0.000 0.527 596 W N 1.124 122.275 121.300 -0.249 0.000 2.413 596 W HA 0.170 4.842 4.660 0.020 0.000 0.315 596 W C 2.741 178.909 176.519 -0.585 0.000 1.186 596 W CA 1.967 59.044 57.345 -0.447 0.000 1.326 596 W CB -0.917 28.271 29.460 -0.454 0.000 1.153 596 W HN 0.341 nan 8.180 nan 0.000 0.489 597 L N -1.110 119.953 121.223 -0.266 0.000 2.131 597 L HA -0.123 4.228 4.340 0.019 0.000 0.210 597 L C 1.302 178.035 176.870 -0.229 0.000 1.092 597 L CA 1.972 56.592 54.840 -0.367 0.000 0.759 597 L CB -2.128 39.689 42.059 -0.402 0.000 0.903 597 L HN 0.054 nan 8.230 nan 0.000 0.435 598 D N 1.352 121.667 120.400 -0.142 0.000 2.178 598 D HA -0.193 4.458 4.640 0.019 0.000 0.201 598 D C 2.190 178.442 176.300 -0.080 0.000 0.980 598 D CA 1.787 55.740 54.000 -0.079 0.000 0.842 598 D CB 0.275 41.062 40.800 -0.021 0.000 0.948 598 D HN 0.648 nan 8.370 nan 0.000 0.472 599 K N 0.363 120.685 120.400 -0.129 0.000 2.354 599 K HA 0.066 4.397 4.320 0.019 0.000 0.194 599 K C 1.437 177.966 176.600 -0.117 0.000 1.038 599 K CA -0.023 56.195 56.287 -0.114 0.000 1.052 599 K CB 0.233 32.651 32.500 -0.137 0.000 0.861 599 K HN -0.174 nan 8.250 nan 0.000 0.535 600 N N 2.679 121.228 118.700 -0.252 0.000 2.348 600 N HA -0.188 4.563 4.740 0.019 0.000 0.185 600 N C 1.051 176.525 175.510 -0.059 0.000 1.019 600 N CA 1.112 54.060 53.050 -0.170 0.000 0.880 600 N CB -0.090 38.209 38.487 -0.314 0.000 0.965 600 N HN 0.323 nan 8.380 nan 0.000 0.437 601 K N 2.231 122.580 120.400 -0.085 0.000 3.190 601 K HA -0.266 4.065 4.320 0.019 0.000 0.193 601 K C -0.718 175.880 176.600 -0.003 0.000 0.945 601 K CA 1.915 58.175 56.287 -0.044 0.000 0.713 601 K CB -1.545 30.939 32.500 -0.025 0.000 1.560 601 K HN 0.469 nan 8.250 nan 0.000 0.544 602 D N 1.422 121.831 120.400 0.016 0.000 2.365 602 D HA 0.303 4.954 4.640 0.019 0.000 0.237 602 D C -2.301 174.050 176.300 0.086 0.000 1.190 602 D CA -1.836 52.194 54.000 0.050 0.000 0.867 602 D CB 1.287 42.116 40.800 0.049 0.000 1.050 602 D HN 0.117 nan 8.370 nan 0.000 0.491 603 P HA 0.471 nan 4.420 nan 0.000 0.289 603 P C -0.919 176.535 177.300 0.256 0.000 1.293 603 P CA -0.693 62.592 63.100 0.309 0.000 0.897 603 P CB 2.005 34.016 31.700 0.517 0.000 1.166 607 N N -1.002 117.692 118.700 -0.011 0.000 5.656 607 N HA 0.201 4.953 4.740 0.019 0.000 0.296 607 N C -1.179 174.327 175.510 -0.007 0.000 0.702 607 N CA 0.323 53.364 53.050 -0.016 0.000 0.876 607 N CB 0.033 38.504 38.487 -0.026 0.000 1.863 607 N HN 0.994 nan 8.380 nan 0.000 0.761 608 V N 1.290 121.204 119.914 0.000 0.000 6.049 608 V HA -0.262 3.870 4.120 0.019 0.000 0.334 608 V C 0.476 176.572 176.094 0.002 0.000 0.378 608 V CA 1.479 63.776 62.300 -0.004 0.000 0.706 608 V CB -1.205 30.605 31.823 -0.020 0.000 0.385 608 V HN 0.925 nan 8.190 nan 0.000 1.432 609 V N 0.173 120.111 119.914 0.040 0.000 4.830 609 V HA -0.283 3.848 4.120 0.019 0.000 0.274 609 V C 1.410 177.551 176.094 0.078 0.000 0.408 609 V CA 1.796 64.156 62.300 0.101 0.000 0.793 609 V CB -2.784 29.128 31.823 0.149 0.000 0.740 609 V HN 2.675 nan 8.190 nan 0.000 1.375 610 S N -3.314 112.407 115.700 0.036 0.000 3.521 610 S HA -0.200 4.281 4.470 0.019 0.000 0.328 610 S C 0.061 174.668 174.600 0.012 0.000 1.165 610 S CA 1.421 59.636 58.200 0.025 0.000 0.941 610 S CB -1.691 61.538 63.200 0.049 0.000 0.951 610 S HN 2.384 nan 8.310 nan 0.000 0.539 611 L N -3.106 118.107 121.223 -0.018 0.000 0.585 611 L HA 0.251 4.602 4.340 0.019 0.000 0.356 611 L C 0.864 177.640 176.870 -0.157 0.000 1.004 611 L CA 1.887 56.683 54.840 -0.073 0.000 1.223 611 L CB -0.824 41.205 42.059 -0.049 0.000 0.012 611 L HN 1.909 nan 8.230 nan 0.000 0.091 612 L N 0.669 121.714 121.223 -0.295 0.000 1.121 612 L HA 0.612 4.963 4.340 0.019 0.000 0.502 612 L C 0.820 177.266 176.870 -0.707 0.000 0.786 612 L CA 0.781 55.250 54.840 -0.620 0.000 2.110 612 L CB -1.905 39.460 42.059 -1.157 0.000 1.245 612 L HN 2.150 nan 8.230 nan 0.000 0.457 613 A N -0.197 122.381 122.820 -0.402 0.000 2.448 613 A HA 0.764 5.095 4.320 0.019 0.000 0.239 613 A C 1.971 179.452 177.584 -0.172 0.000 1.080 613 A CA 1.470 53.364 52.037 -0.239 0.000 0.779 613 A CB 0.799 19.729 19.000 -0.117 0.000 1.026 613 A HN 2.335 nan 8.150 nan 0.000 0.499 614 V N 1.194 121.046 119.914 -0.105 0.000 0.685 614 V HA -0.515 3.616 4.120 0.019 0.000 0.092 614 V C 1.655 177.700 176.094 -0.081 0.000 0.867 614 V CA 4.759 67.016 62.300 -0.070 0.000 3.115 614 V CB -1.574 30.219 31.823 -0.050 0.000 0.242 614 V HN 3.185 nan 8.190 nan 0.000 0.183 615 S N -0.787 114.868 115.700 -0.075 0.000 3.017 615 S HA -0.411 4.070 4.470 0.019 0.000 0.283 615 S C 0.675 175.244 174.600 -0.052 0.000 1.304 615 S CA 2.505 60.665 58.200 -0.067 0.000 1.224 615 S CB -1.848 61.296 63.200 -0.094 0.000 1.480 615 S HN 2.277 nan 8.310 nan 0.000 0.698 616 K N -0.382 119.992 120.400 -0.043 0.000 3.363 616 K HA -0.201 4.130 4.320 0.019 0.000 0.313 616 K C -0.252 176.327 176.600 -0.034 0.000 1.259 616 K CA 1.846 58.115 56.287 -0.030 0.000 0.942 616 K CB -1.604 30.882 32.500 -0.023 0.000 1.229 616 K HN 0.913 nan 8.250 nan 0.000 0.440 617 E N 0.764 120.934 120.200 -0.049 0.000 2.101 617 E HA 0.129 4.490 4.350 0.019 0.000 0.260 617 E C -1.734 174.841 176.600 -0.041 0.000 0.897 617 E CA -1.591 54.775 56.400 -0.057 0.000 0.744 617 E CB 1.376 31.028 29.700 -0.080 0.000 1.140 617 E HN -0.020 nan 8.360 nan 0.000 0.419 618 P HA -0.009 nan 4.420 nan 0.000 0.245 618 P C 1.198 178.536 177.300 0.063 0.000 1.206 618 P CA 0.014 63.151 63.100 0.062 0.000 0.781 618 P CB 0.402 32.158 31.700 0.093 0.000 0.994 619 L N -0.529 120.657 121.223 -0.062 0.000 2.349 619 L HA -0.043 4.308 4.340 0.019 0.000 0.220 619 L C 1.213 177.992 176.870 -0.151 0.000 1.130 619 L CA 1.359 56.058 54.840 -0.236 0.000 0.791 619 L CB -1.404 40.502 42.059 -0.255 0.000 0.918 619 L HN -0.078 nan 8.230 nan 0.000 0.444 620 V N -1.239 118.692 119.914 0.028 0.000 2.703 620 V HA 0.584 4.715 4.120 0.019 0.000 0.290 620 V C 0.433 176.547 176.094 0.033 0.000 1.035 620 V CA 0.554 62.984 62.300 0.217 0.000 1.185 620 V CB 0.656 32.512 31.823 0.055 0.000 1.178 620 V HN 0.259 nan 8.190 nan 0.000 0.562 621 A N 1.208 124.199 122.820 0.285 0.000 1.429 621 A HA 0.206 4.537 4.320 0.019 0.000 0.212 621 A C 1.059 178.898 177.584 0.424 0.000 1.863 621 A CA 0.444 52.544 52.037 0.105 0.000 1.494 621 A CB 0.084 19.082 19.000 -0.004 0.000 1.413 621 A HN 0.431 nan 8.150 nan 0.000 0.338 622 E N 0.755 121.170 120.200 0.359 0.000 2.303 622 E HA 0.309 4.670 4.350 0.019 0.000 0.211 622 E C -0.792 176.035 176.600 0.378 0.000 1.223 622 E CA 0.030 56.610 56.400 0.300 0.000 1.344 622 E CB -0.254 29.584 29.700 0.230 0.000 1.299 622 E HN 0.404 nan 8.360 nan 0.000 0.441 623 L N -0.155 121.346 121.223 0.464 0.000 3.425 623 L HA 0.328 4.680 4.340 0.019 0.000 0.330 623 L C -0.484 176.121 176.870 -0.440 0.000 1.317 623 L CA 0.010 54.931 54.840 0.134 0.000 0.940 623 L CB -0.067 42.069 42.059 0.128 0.000 1.378 623 L HN 0.107 nan 8.230 nan 0.000 0.611 624 F N -0.501 119.501 119.950 0.087 0.000 1.901 624 F HA 0.356 4.894 4.527 0.019 0.000 0.224 624 F C 1.496 177.321 175.800 0.042 0.000 1.236 624 F CA -0.452 57.584 58.000 0.061 0.000 1.304 624 F CB 0.110 39.142 39.000 0.053 0.000 1.866 624 F HN -0.017 nan 8.300 nan 0.000 0.262 625 R N 1.550 122.194 120.500 0.241 0.000 2.791 625 R HA 0.687 5.038 4.340 0.019 0.000 0.357 625 R C -0.269 176.083 176.300 0.086 0.000 1.173 625 R CA -0.199 55.977 56.100 0.126 0.000 1.060 625 R CB -0.569 29.798 30.300 0.111 0.000 1.406 625 R HN 0.514 nan 8.270 nan 0.000 0.580 645 F N 0.739 120.707 119.950 0.031 0.000 2.347 645 F HA -0.220 4.318 4.527 0.019 0.000 0.381 645 F C 0.177 175.991 175.800 0.023 0.000 1.130 645 F CA 1.319 59.336 58.000 0.028 0.000 1.275 645 F CB -0.374 38.641 39.000 0.026 0.000 1.857 645 F HN 1.022 nan 8.300 nan 0.000 0.781 646 Q N 0.567 120.427 119.800 0.099 0.000 2.660 646 Q HA 0.598 4.949 4.340 0.019 0.000 0.393 646 Q C -0.541 175.453 176.000 -0.009 0.000 0.622 646 Q CA 0.107 55.910 55.803 0.001 0.000 0.944 646 Q CB 1.895 30.659 28.738 0.042 0.000 1.046 646 Q HN 0.368 nan 8.270 nan 0.000 0.456 647 T N -1.187 113.371 114.554 0.007 0.000 2.831 647 T HA 0.407 4.768 4.350 0.019 0.000 0.287 647 T C 0.589 175.328 174.700 0.064 0.000 1.070 647 T CA -0.057 62.053 62.100 0.017 0.000 1.010 647 T CB 0.626 69.482 68.868 -0.020 0.000 1.264 647 T HN 0.577 nan 8.240 nan 0.000 0.532 648 I N 1.491 122.115 120.570 0.091 0.000 2.286 648 I HA 0.026 4.207 4.170 0.019 0.000 0.248 648 I C 2.308 178.527 176.117 0.170 0.000 1.115 648 I CA 2.478 63.850 61.300 0.121 0.000 1.392 648 I CB -0.763 37.313 38.000 0.127 0.000 1.065 648 I HN 0.606 nan 8.210 nan 0.000 0.418 649 S N 1.916 117.738 115.700 0.204 0.000 2.359 649 S HA -0.159 4.322 4.470 0.019 0.000 0.224 649 S C 2.263 176.958 174.600 0.158 0.000 1.035 649 S CA 1.044 59.357 58.200 0.188 0.000 1.018 649 S CB -1.437 61.865 63.200 0.170 0.000 0.876 649 S HN 0.733 nan 8.310 nan 0.000 0.448 650 A N 2.102 124.991 122.820 0.114 0.000 1.870 650 A HA -0.137 4.194 4.320 0.019 0.000 0.219 650 A C 2.451 180.104 177.584 0.115 0.000 1.286 650 A CA 2.532 54.625 52.037 0.094 0.000 0.682 650 A CB -1.601 17.442 19.000 0.072 0.000 0.844 650 A HN 0.652 nan 8.150 nan 0.000 0.460 651 V N -0.064 119.916 119.914 0.110 0.000 2.828 651 V HA -0.238 3.893 4.120 0.019 0.000 0.260 651 V C 2.385 178.561 176.094 0.137 0.000 1.101 651 V CA 2.126 64.486 62.300 0.101 0.000 1.123 651 V CB -1.219 30.646 31.823 0.070 0.000 0.704 651 V HN 0.740 nan 8.190 nan 0.000 0.493 652 H N 1.883 120.988 119.070 0.059 0.000 2.267 652 H HA -0.097 4.471 4.556 0.019 0.000 0.302 652 H C 2.473 177.849 175.328 0.080 0.000 1.056 652 H CA 2.129 58.213 56.048 0.061 0.000 1.269 652 H CB -0.198 29.599 29.762 0.059 0.000 1.385 652 H HN 0.334 nan 8.280 nan 0.000 0.501 653 R N 0.416 121.109 120.500 0.321 0.000 2.174 653 R HA -0.208 4.143 4.340 0.019 0.000 0.253 653 R C 2.242 178.634 176.300 0.154 0.000 1.165 653 R CA 1.807 58.040 56.100 0.222 0.000 0.984 653 R CB -0.342 30.057 30.300 0.166 0.000 0.873 653 R HN 0.439 nan 8.270 nan 0.000 0.456 654 E N 0.229 120.512 120.200 0.138 0.000 2.285 654 E HA -0.062 4.300 4.350 0.019 0.000 0.194 654 E C 1.872 178.536 176.600 0.107 0.000 0.997 654 E CA 0.683 57.143 56.400 0.099 0.000 0.845 654 E CB 0.197 29.947 29.700 0.082 0.000 0.782 654 E HN 0.182 nan 8.360 nan 0.000 0.491 655 S N -0.459 115.322 115.700 0.134 0.000 2.315 655 S HA -0.043 4.438 4.470 0.019 0.000 0.211 655 S C 1.813 176.503 174.600 0.149 0.000 1.029 655 S CA 0.682 58.980 58.200 0.163 0.000 0.956 655 S CB -0.485 62.793 63.200 0.130 0.000 0.918 655 S HN 0.327 nan 8.310 nan 0.000 0.470 656 L N 2.476 123.774 121.223 0.125 0.000 1.987 656 L HA -0.307 4.044 4.340 0.019 0.000 0.230 656 L C 1.902 178.738 176.870 -0.058 0.000 1.089 656 L CA 2.693 57.532 54.840 -0.003 0.000 0.802 656 L CB -1.103 40.952 42.059 -0.007 0.000 0.905 656 L HN 0.344 nan 8.230 nan 0.000 0.441 657 N N -0.072 118.621 118.700 -0.010 0.000 2.060 657 N HA -0.251 4.500 4.740 0.019 0.000 0.195 657 N C 1.875 177.371 175.510 -0.024 0.000 1.028 657 N CA 2.436 55.469 53.050 -0.029 0.000 0.861 657 N CB -0.624 37.865 38.487 0.004 0.000 1.029 657 N HN 0.554 nan 8.380 nan 0.000 0.428 658 K N 0.223 120.642 120.400 0.031 0.000 2.585 658 K HA 0.033 4.365 4.320 0.019 0.000 0.194 658 K C 1.677 178.310 176.600 0.056 0.000 1.037 658 K CA 1.040 57.371 56.287 0.073 0.000 0.964 658 K CB -0.668 31.913 32.500 0.134 0.000 0.787 658 K HN 0.247 nan 8.250 nan 0.000 0.488 659 L N -2.196 118.968 121.223 -0.098 0.000 2.642 659 L HA 0.405 4.756 4.340 0.019 0.000 0.233 659 L C 1.988 178.667 176.870 -0.319 0.000 1.077 659 L CA 0.701 55.322 54.840 -0.365 0.000 0.879 659 L CB 0.469 42.111 42.059 -0.696 0.000 1.151 659 L HN 0.223 nan 8.230 nan 0.000 0.495 660 M N -0.432 119.052 119.600 -0.194 0.000 2.398 660 M HA 0.133 4.624 4.480 0.019 0.000 0.261 660 M C 1.404 177.673 176.300 -0.051 0.000 1.125 660 M CA 1.316 56.536 55.300 -0.134 0.000 1.183 660 M CB -0.136 32.411 32.600 -0.089 0.000 1.322 660 M HN -0.092 nan 8.290 nan 0.000 0.467 661 K N 0.043 120.409 120.400 -0.056 0.000 2.743 661 K HA -0.023 4.308 4.320 0.019 0.000 0.219 661 K C 0.539 177.145 176.600 0.009 0.000 1.003 661 K CA 0.491 56.766 56.287 -0.019 0.000 1.156 661 K CB -0.719 31.765 32.500 -0.027 0.000 0.932 661 K HN 0.528 nan 8.250 nan 0.000 0.490 662 N N -0.384 118.302 118.700 -0.022 0.000 2.075 662 N HA 0.102 4.853 4.740 0.019 0.000 0.226 662 N C 1.071 176.541 175.510 -0.068 0.000 1.343 662 N CA 0.001 53.052 53.050 0.001 0.000 0.881 662 N CB 0.592 39.090 38.487 0.018 0.000 1.100 662 N HN 0.014 nan 8.380 nan 0.000 0.495 663 L N -0.304 120.809 121.223 -0.183 0.000 2.433 663 L HA 0.225 4.577 4.340 0.019 0.000 0.200 663 L C 1.035 177.741 176.870 -0.274 0.000 1.059 663 L CA 0.176 54.777 54.840 -0.398 0.000 0.835 663 L CB -0.153 41.412 42.059 -0.823 0.000 1.076 663 L HN 0.117 nan 8.230 nan 0.000 0.481 664 Y N -0.276 119.870 120.300 -0.256 0.000 2.738 664 Y HA -0.154 4.407 4.550 0.019 0.000 0.293 664 Y C 1.457 177.465 175.900 0.180 0.000 1.156 664 Y CA 0.831 59.021 58.100 0.149 0.000 1.410 664 Y CB -0.010 38.490 38.460 0.068 0.000 0.966 664 Y HN 0.003 nan 8.280 nan 0.000 0.568 665 S N 0.509 116.325 115.700 0.193 0.000 2.080 665 S HA 0.542 5.023 4.470 0.019 0.000 0.162 665 S C -0.545 174.110 174.600 0.092 0.000 1.618 665 S CA -0.045 58.241 58.200 0.142 0.000 1.200 665 S CB -0.481 62.779 63.200 0.100 0.000 1.135 665 S HN 0.266 nan 8.310 nan 0.000 0.455 666 T N 0.686 115.318 114.554 0.129 0.000 2.674 666 T HA 0.232 4.594 4.350 0.019 0.000 0.298 666 T C -1.582 173.212 174.700 0.157 0.000 1.775 666 T CA -0.829 61.324 62.100 0.088 0.000 0.960 666 T CB 0.346 69.232 68.868 0.029 0.000 1.976 666 T HN 0.309 nan 8.240 nan 0.000 0.459 667 H N 2.708 121.764 119.070 -0.023 0.000 2.418 667 H HA 0.470 5.037 4.556 0.019 0.000 0.238 667 H C -2.525 172.679 175.328 -0.206 0.000 1.403 667 H CA -1.946 54.056 56.048 -0.077 0.000 1.419 667 H CB 0.413 30.172 29.762 -0.005 0.000 1.463 667 H HN 0.268 nan 8.280 nan 0.000 0.515 668 P HA -0.051 nan 4.420 nan 0.000 0.273 668 P C -0.522 176.207 177.300 -0.953 0.000 1.237 668 P CA 0.726 63.462 63.100 -0.608 0.000 0.813 668 P CB 1.223 32.499 31.700 -0.706 0.000 0.930 669 H N -1.721 116.814 119.070 -0.892 0.000 3.094 669 H HA 0.369 4.937 4.556 0.020 0.000 0.335 669 H C -1.059 173.626 175.328 -1.071 0.000 1.254 669 H CA -0.155 55.518 56.048 -0.625 0.000 1.240 669 H CB 0.705 30.256 29.762 -0.351 0.000 1.936 669 H HN 0.272 nan 8.280 nan 0.000 0.536 670 F N 0.665 120.596 119.950 -0.032 0.000 2.569 670 F HA 0.541 5.079 4.527 0.019 0.000 0.312 670 F C -0.265 175.363 175.800 -0.287 0.000 1.109 670 F CA -0.782 57.073 58.000 -0.241 0.000 0.919 670 F CB 2.062 40.770 39.000 -0.487 0.000 1.211 670 F HN 0.093 nan 8.300 nan 0.000 0.446 671 V N 3.777 123.566 119.914 -0.209 0.000 2.686 671 V HA 0.617 4.748 4.120 0.019 0.000 0.306 671 V C -0.574 175.366 176.094 -0.258 0.000 1.065 671 V CA -0.804 61.362 62.300 -0.224 0.000 0.894 671 V CB 2.208 33.917 31.823 -0.191 0.000 1.004 671 V HN 0.650 nan 8.190 nan 0.000 0.424 672 R N 1.662 122.010 120.500 -0.252 0.000 2.902 672 R HA 0.776 5.127 4.340 0.019 0.000 0.258 672 R C -0.739 175.478 176.300 -0.138 0.000 1.071 672 R CA -0.376 55.594 56.100 -0.217 0.000 1.024 672 R CB 1.754 31.912 30.300 -0.237 0.000 1.184 672 R HN 0.731 nan 8.270 nan 0.000 0.492 673 C N -0.161 119.083 119.300 -0.094 0.000 3.188 673 C HA 0.552 5.023 4.460 0.019 0.000 0.379 673 C C 1.810 176.804 174.990 0.007 0.000 2.263 673 C CA -0.682 58.304 59.018 -0.053 0.000 1.616 673 C CB 0.407 28.110 27.740 -0.061 0.000 2.632 673 C HN 0.948 nan 8.230 nan 0.000 0.488 674 I N 0.074 120.658 120.570 0.024 0.000 3.378 674 I HA 0.580 4.761 4.170 0.019 0.000 0.133 674 I C 0.812 176.976 176.117 0.078 0.000 1.403 674 I CA 0.720 62.068 61.300 0.080 0.000 0.943 674 I CB -0.523 37.517 38.000 0.068 0.000 1.661 674 I HN 1.093 nan 8.210 nan 0.000 0.907 675 I N -2.692 117.924 120.570 0.077 0.000 5.494 675 I HA -0.102 4.080 4.170 0.019 0.000 0.133 675 I C -1.798 174.373 176.117 0.090 0.000 1.813 675 I CA 0.172 61.513 61.300 0.069 0.000 2.037 675 I CB -3.671 34.367 38.000 0.063 0.000 3.350 675 I HN 0.550 nan 8.210 nan 0.000 0.169 676 P HA -0.043 nan 4.420 nan 0.000 0.208 676 P C 0.394 177.702 177.300 0.014 0.000 1.189 676 P CA 2.664 65.806 63.100 0.070 0.000 0.931 676 P CB 0.010 31.809 31.700 0.165 0.000 0.783 677 N N -2.325 116.417 118.700 0.069 0.000 2.519 677 N HA 0.110 4.861 4.740 0.019 0.000 0.291 677 N C 0.042 175.594 175.510 0.070 0.000 1.107 677 N CA -0.600 52.470 53.050 0.034 0.000 0.904 677 N CB 0.515 38.998 38.487 -0.007 0.000 1.500 677 N HN -0.062 nan 8.380 nan 0.000 0.510 678 E N 0.644 120.871 120.200 0.044 0.000 2.242 678 E HA -0.281 4.080 4.350 0.019 0.000 0.247 678 E C 0.163 176.803 176.600 0.067 0.000 1.056 678 E CA 1.599 58.028 56.400 0.048 0.000 0.999 678 E CB -0.227 29.487 29.700 0.023 0.000 0.891 678 E HN 0.493 nan 8.360 nan 0.000 0.512 679 L N 2.369 123.619 121.223 0.045 0.000 2.600 679 L HA -0.032 4.319 4.340 0.019 0.000 0.278 679 L C -0.055 176.850 176.870 0.058 0.000 1.139 679 L CA 0.541 55.408 54.840 0.046 0.000 0.933 679 L CB 0.094 42.166 42.059 0.022 0.000 1.266 679 L HN 0.038 nan 8.230 nan 0.000 0.471 680 K N 4.541 125.010 120.400 0.115 0.000 3.559 680 K HA -0.136 4.195 4.320 0.019 0.000 0.249 680 K C -0.214 176.331 176.600 -0.091 0.000 0.518 680 K CA 0.190 56.570 56.287 0.155 0.000 0.885 680 K CB -0.671 32.056 32.500 0.377 0.000 0.865 680 K HN 0.593 nan 8.250 nan 0.000 0.375 681 Q N 0.513 120.260 119.800 -0.087 0.000 2.409 681 Q HA 0.042 4.393 4.340 0.019 0.000 0.240 681 Q C -1.873 173.989 176.000 -0.231 0.000 1.226 681 Q CA -1.384 54.345 55.803 -0.123 0.000 0.895 681 Q CB 0.466 29.163 28.738 -0.068 0.000 1.491 681 Q HN 0.150 nan 8.270 nan 0.000 0.509 682 P HA -0.201 nan 4.420 nan 0.000 0.225 682 P C 1.268 178.454 177.300 -0.190 0.000 1.141 682 P CA 1.181 63.993 63.100 -0.479 0.000 0.774 682 P CB 0.215 31.679 31.700 -0.394 0.000 0.760 683 G N -0.395 108.331 108.800 -0.124 0.000 2.552 683 G HA2 0.073 4.044 3.960 0.019 0.000 0.216 683 G HA3 0.073 4.044 3.960 0.019 0.000 0.216 683 G C 0.371 175.251 174.900 -0.034 0.000 1.240 683 G CA 1.323 46.390 45.100 -0.055 0.000 0.796 683 G HN 0.425 nan 8.290 nan 0.000 0.568 684 L N -5.652 115.517 121.223 -0.089 0.000 3.167 684 L HA 0.610 4.961 4.340 0.019 0.000 0.273 684 L C 0.084 176.775 176.870 -0.298 0.000 0.969 684 L CA -0.788 53.930 54.840 -0.203 0.000 1.033 684 L CB 0.550 42.526 42.059 -0.138 0.000 1.544 684 L HN 0.887 nan 8.230 nan 0.000 0.393 685 V N 0.187 119.733 119.914 -0.613 0.000 3.902 685 V HA -0.070 4.062 4.120 0.019 0.000 0.552 685 V C -0.237 175.734 176.094 -0.206 0.000 0.753 685 V CA 2.082 64.109 62.300 -0.454 0.000 2.128 685 V CB -0.058 31.597 31.823 -0.279 0.000 2.493 685 V HN 1.512 nan 8.190 nan 0.000 0.525 686 D N -0.328 119.990 120.400 -0.137 0.000 3.531 686 D HA 0.193 4.845 4.640 0.019 0.000 0.125 686 D C 0.284 176.564 176.300 -0.034 0.000 0.874 686 D CA 0.900 54.860 54.000 -0.066 0.000 2.008 686 D CB -0.571 40.203 40.800 -0.042 0.000 0.489 686 D HN 1.200 nan 8.370 nan 0.000 0.904 687 A N 1.663 124.463 122.820 -0.033 0.000 1.941 687 A HA -0.293 4.039 4.320 0.019 0.000 0.220 687 A C 2.182 179.771 177.584 0.008 0.000 1.407 687 A CA 3.795 55.829 52.037 -0.005 0.000 0.766 687 A CB -1.262 17.715 19.000 -0.038 0.000 0.838 687 A HN 0.766 nan 8.150 nan 0.000 0.482 688 E N -1.117 119.068 120.200 -0.024 0.000 2.164 688 E HA -0.267 4.095 4.350 0.019 0.000 0.206 688 E C 2.012 178.640 176.600 0.046 0.000 1.032 688 E CA 2.121 58.520 56.400 -0.002 0.000 0.832 688 E CB -1.060 28.621 29.700 -0.032 0.000 0.742 688 E HN 0.867 nan 8.360 nan 0.000 0.460 689 L N -0.065 121.167 121.223 0.016 0.000 2.083 689 L HA -0.086 4.266 4.340 0.019 0.000 0.209 689 L C 2.609 179.536 176.870 0.094 0.000 1.083 689 L CA 1.917 56.768 54.840 0.019 0.000 0.752 689 L CB 0.101 42.156 42.059 -0.007 0.000 0.899 689 L HN 0.329 nan 8.230 nan 0.000 0.433 690 V N -1.519 118.445 119.914 0.084 0.000 2.599 690 V HA -0.154 3.977 4.120 0.019 0.000 0.245 690 V C 2.418 178.581 176.094 0.116 0.000 1.046 690 V CA 0.955 63.319 62.300 0.107 0.000 1.065 690 V CB -0.533 31.358 31.823 0.113 0.000 0.703 690 V HN 0.322 nan 8.190 nan 0.000 0.464 691 L N -0.071 121.215 121.223 0.104 0.000 2.043 691 L HA -0.278 4.074 4.340 0.019 0.000 0.212 691 L C 2.629 179.561 176.870 0.103 0.000 1.075 691 L CA 2.467 57.367 54.840 0.099 0.000 0.752 691 L CB -0.704 41.400 42.059 0.075 0.000 0.891 691 L HN 0.483 nan 8.230 nan 0.000 0.432 692 H N 0.128 119.209 119.070 0.018 0.000 2.296 692 H HA -0.248 4.319 4.556 0.018 0.000 0.291 692 H C 2.312 177.645 175.328 0.007 0.000 1.074 692 H CA 2.501 58.557 56.048 0.012 0.000 1.176 692 H CB -0.187 29.586 29.762 0.017 0.000 1.357 692 H HN 0.289 nan 8.280 nan 0.000 0.520 693 Q N 0.178 120.054 119.800 0.127 0.000 1.906 693 Q HA -0.239 4.113 4.340 0.019 0.000 0.221 693 Q C 2.609 178.603 176.000 -0.011 0.000 1.021 693 Q CA 2.122 57.948 55.803 0.038 0.000 0.880 693 Q CB -0.918 27.865 28.738 0.076 0.000 0.966 693 Q HN 0.515 nan 8.270 nan 0.000 0.418 694 L N 0.610 121.851 121.223 0.030 0.000 2.151 694 L HA -0.274 4.078 4.340 0.019 0.000 0.219 694 L C 2.305 179.175 176.870 -0.001 0.000 1.083 694 L CA 1.552 56.411 54.840 0.032 0.000 0.782 694 L CB -0.824 41.270 42.059 0.059 0.000 0.891 694 L HN 0.340 nan 8.230 nan 0.000 0.439 695 Q N -0.695 119.085 119.800 -0.033 0.000 2.425 695 Q HA -0.030 4.322 4.340 0.019 0.000 0.213 695 Q C 0.233 176.152 176.000 -0.136 0.000 0.950 695 Q CA 0.494 56.253 55.803 -0.074 0.000 0.979 695 Q CB -0.264 28.413 28.738 -0.102 0.000 0.997 695 Q HN 0.565 nan 8.270 nan 0.000 0.509 696 C N -2.994 116.256 119.300 -0.083 0.000 3.820 696 C HA 0.276 4.747 4.460 0.019 0.000 0.114 696 C C 1.440 176.438 174.990 0.012 0.000 2.978 696 C CA -0.092 58.886 59.018 -0.067 0.000 1.374 696 C CB -0.371 27.283 27.740 -0.143 0.000 2.883 696 C HN 0.660 nan 8.230 nan 0.000 0.467 697 N N 1.145 119.831 118.700 -0.024 0.000 2.311 697 N HA -0.331 4.420 4.740 0.019 0.000 0.143 697 N C 1.045 176.492 175.510 -0.105 0.000 0.186 697 N CA 2.166 55.156 53.050 -0.100 0.000 1.682 697 N CB -1.155 37.265 38.487 -0.112 0.000 1.103 697 N HN 1.143 nan 8.380 nan 0.000 0.527 698 G N -1.618 107.220 108.800 0.064 0.000 3.578 698 G HA2 -0.079 3.892 3.960 0.019 0.000 0.220 698 G HA3 -0.079 3.892 3.960 0.019 0.000 0.220 698 G C 0.572 175.440 174.900 -0.052 0.000 0.933 698 G CA 0.647 45.734 45.100 -0.022 0.000 0.847 698 G HN 0.507 nan 8.290 nan 0.000 0.612 699 V N 1.919 121.968 119.914 0.225 0.000 2.220 699 V HA -0.218 3.913 4.120 0.019 0.000 0.250 699 V C 2.610 178.651 176.094 -0.088 0.000 1.056 699 V CA 2.920 65.218 62.300 -0.003 0.000 1.016 699 V CB -0.592 31.333 31.823 0.170 0.000 0.639 699 V HN 0.414 nan 8.190 nan 0.000 0.446 700 L N -0.159 121.048 121.223 -0.027 0.000 2.043 700 L HA -0.172 4.179 4.340 0.019 0.000 0.212 700 L C 2.828 179.657 176.870 -0.068 0.000 1.075 700 L CA 2.097 56.919 54.840 -0.031 0.000 0.752 700 L CB -0.775 41.281 42.059 -0.004 0.000 0.891 700 L HN 0.415 nan 8.230 nan 0.000 0.432 701 E N 0.039 120.183 120.200 -0.094 0.000 2.409 701 E HA -0.110 4.251 4.350 0.019 0.000 0.198 701 E C 2.032 178.529 176.600 -0.172 0.000 1.024 701 E CA 0.917 57.245 56.400 -0.120 0.000 0.861 701 E CB 0.002 29.596 29.700 -0.176 0.000 0.788 701 E HN 0.533 nan 8.360 nan 0.000 0.521 702 G N 1.103 109.765 108.800 -0.231 0.000 2.430 702 G HA2 -0.161 3.811 3.960 0.019 0.000 0.216 702 G HA3 -0.161 3.811 3.960 0.019 0.000 0.216 702 G C 1.654 176.423 174.900 -0.219 0.000 1.146 702 G CA 0.686 45.610 45.100 -0.293 0.000 0.793 702 G HN 0.356 nan 8.290 nan 0.000 0.537 703 I N -0.875 119.604 120.570 -0.151 0.000 2.703 703 I HA 0.258 4.439 4.170 0.019 0.000 0.259 703 I C 2.295 178.348 176.117 -0.106 0.000 1.151 703 I CA 0.817 62.056 61.300 -0.102 0.000 1.470 703 I CB -0.371 37.598 38.000 -0.052 0.000 1.112 703 I HN 0.065 nan 8.210 nan 0.000 0.437 704 R N 1.517 121.953 120.500 -0.106 0.000 2.136 704 R HA -0.216 4.135 4.340 0.019 0.000 0.242 704 R C 2.204 178.416 176.300 -0.147 0.000 1.131 704 R CA 3.006 59.049 56.100 -0.096 0.000 0.937 704 R CB -0.604 29.648 30.300 -0.080 0.000 0.863 704 R HN 0.541 nan 8.270 nan 0.000 0.435 705 I N -0.021 120.400 120.570 -0.247 0.000 2.233 705 I HA -0.295 3.887 4.170 0.019 0.000 0.243 705 I C 2.782 178.700 176.117 -0.332 0.000 1.093 705 I CA 0.802 61.852 61.300 -0.418 0.000 1.380 705 I CB -0.518 37.024 38.000 -0.763 0.000 1.067 705 I HN 0.343 nan 8.210 nan 0.000 0.413 706 C N 0.949 120.090 119.300 -0.264 0.000 2.328 706 C HA -0.267 4.204 4.460 0.019 0.000 0.276 706 C C 3.024 177.972 174.990 -0.071 0.000 1.173 706 C CA 1.363 60.293 59.018 -0.146 0.000 1.774 706 C CB -1.113 26.566 27.740 -0.103 0.000 2.009 706 C HN 0.453 nan 8.230 nan 0.000 0.436 707 R N 0.316 120.781 120.500 -0.058 0.000 2.276 707 R HA -0.156 4.195 4.340 0.019 0.000 0.243 707 R C 2.015 178.304 176.300 -0.018 0.000 1.161 707 R CA 1.247 57.333 56.100 -0.023 0.000 1.007 707 R CB -0.264 30.025 30.300 -0.017 0.000 0.867 707 R HN 0.468 nan 8.270 nan 0.000 0.472 708 K N -0.548 119.834 120.400 -0.029 0.000 2.076 708 K HA 0.010 4.341 4.320 0.019 0.000 0.204 708 K C 1.363 178.032 176.600 0.116 0.000 1.051 708 K CA 1.164 57.477 56.287 0.042 0.000 0.949 708 K CB -0.281 32.224 32.500 0.008 0.000 0.726 708 K HN 0.290 nan 8.250 nan 0.000 0.443 709 G N -0.480 108.394 108.800 0.123 0.000 3.229 709 G HA2 0.173 4.144 3.960 0.019 0.000 0.165 709 G HA3 0.173 4.144 3.960 0.019 0.000 0.165 709 G C -0.607 174.232 174.900 -0.101 0.000 1.753 709 G CA -0.325 44.874 45.100 0.165 0.000 1.054 709 G HN 0.111 nan 8.290 nan 0.000 0.544 710 F N 1.847 121.973 119.950 0.293 0.000 2.453 710 F HA 0.417 4.956 4.527 0.019 0.000 0.358 710 F C -2.079 173.859 175.800 0.231 0.000 1.129 710 F CA -1.412 56.744 58.000 0.261 0.000 1.200 710 F CB 2.013 41.160 39.000 0.246 0.000 1.431 710 F HN 0.086 nan 8.300 nan 0.000 0.503 711 P HA 0.205 nan 4.420 nan 0.000 0.342 711 P C -0.290 177.095 177.300 0.140 0.000 1.369 711 P CA -0.321 62.869 63.100 0.149 0.000 0.800 711 P CB 0.376 32.137 31.700 0.103 0.000 1.884 712 S N -0.408 115.370 115.700 0.130 0.000 3.272 712 S HA -0.152 4.329 4.470 0.019 0.000 0.355 712 S C -0.293 174.367 174.600 0.099 0.000 0.875 712 S CA 0.460 58.774 58.200 0.190 0.000 1.357 712 S CB -1.562 61.827 63.200 0.316 0.000 1.069 712 S HN 0.286 nan 8.310 nan 0.000 0.561 713 R N 1.450 121.916 120.500 -0.057 0.000 2.514 713 R HA 0.806 5.158 4.340 0.019 0.000 0.301 713 R C -0.784 175.433 176.300 -0.137 0.000 0.962 713 R CA -0.861 55.077 56.100 -0.271 0.000 0.882 713 R CB 0.854 30.834 30.300 -0.534 0.000 1.143 713 R HN 0.347 nan 8.270 nan 0.000 0.452 714 L N 3.205 124.345 121.223 -0.139 0.000 2.588 714 L HA 0.424 4.776 4.340 0.019 0.000 0.263 714 L C 0.203 176.991 176.870 -0.137 0.000 0.935 714 L CA -0.769 54.036 54.840 -0.059 0.000 0.891 714 L CB 1.743 43.873 42.059 0.118 0.000 1.318 714 L HN 0.583 nan 8.230 nan 0.000 0.409 715 I N -1.267 119.199 120.570 -0.173 0.000 2.872 715 I HA -0.031 4.151 4.170 0.019 0.000 0.291 715 I C 0.842 176.860 176.117 -0.165 0.000 1.216 715 I CA -0.127 60.998 61.300 -0.292 0.000 1.424 715 I CB 0.076 37.969 38.000 -0.178 0.000 1.351 715 I HN 0.569 nan 8.210 nan 0.000 0.592 716 Y N 2.889 123.210 120.300 0.035 0.000 2.193 716 Y HA -0.244 4.318 4.550 0.019 0.000 0.285 716 Y C 2.760 178.755 175.900 0.158 0.000 1.166 716 Y CA 1.533 59.692 58.100 0.099 0.000 1.181 716 Y CB -1.397 37.102 38.460 0.066 0.000 0.976 716 Y HN 0.713 nan 8.280 nan 0.000 0.520 717 S N -0.264 115.548 115.700 0.187 0.000 2.383 717 S HA -0.249 4.232 4.470 0.019 0.000 0.229 717 S C 2.097 176.745 174.600 0.080 0.000 1.030 717 S CA 1.487 59.755 58.200 0.113 0.000 1.002 717 S CB -0.815 62.414 63.200 0.048 0.000 0.829 717 S HN 0.692 nan 8.310 nan 0.000 0.467 718 E N 0.287 120.531 120.200 0.072 0.000 2.511 718 E HA 0.154 4.515 4.350 0.019 0.000 0.196 718 E C 1.291 177.929 176.600 0.063 0.000 1.066 718 E CA 0.469 56.883 56.400 0.023 0.000 0.871 718 E CB -0.711 28.989 29.700 -0.001 0.000 0.863 718 E HN 0.674 nan 8.360 nan 0.000 0.520 719 F N 0.876 120.822 119.950 -0.006 0.000 2.479 719 F HA 0.092 4.630 4.527 0.019 0.000 0.280 719 F C 2.334 178.133 175.800 -0.002 0.000 0.982 719 F CA 1.195 59.209 58.000 0.024 0.000 1.276 719 F CB 0.261 39.405 39.000 0.239 0.000 1.137 719 F HN 0.094 nan 8.300 nan 0.000 0.660 720 K N 0.631 121.133 120.400 0.169 0.000 2.030 720 K HA -0.360 3.971 4.320 0.019 0.000 0.222 720 K C 2.069 178.592 176.600 -0.129 0.000 1.056 720 K CA 2.234 58.540 56.287 0.031 0.000 0.957 720 K CB -1.297 31.252 32.500 0.083 0.000 0.727 720 K HN 0.448 nan 8.250 nan 0.000 0.452 721 Q N 1.117 120.846 119.800 -0.118 0.000 1.857 721 Q HA -0.216 4.135 4.340 0.019 0.000 0.237 721 Q C 2.307 178.149 176.000 -0.264 0.000 1.004 721 Q CA 1.588 57.296 55.803 -0.159 0.000 0.881 721 Q CB -0.474 28.185 28.738 -0.132 0.000 0.946 721 Q HN 0.359 nan 8.270 nan 0.000 0.421 722 R N -0.208 120.062 120.500 -0.384 0.000 2.204 722 R HA -0.164 4.188 4.340 0.019 0.000 0.253 722 R C 0.268 176.180 176.300 -0.647 0.000 1.172 722 R CA 1.281 57.037 56.100 -0.573 0.000 0.994 722 R CB -0.446 29.365 30.300 -0.816 0.000 0.874 722 R HN 0.480 nan 8.270 nan 0.000 0.462 723 Y N -1.303 118.748 120.300 -0.414 0.000 2.658 723 Y HA 0.214 4.775 4.550 0.019 0.000 0.362 723 Y C 0.884 176.543 175.900 -0.402 0.000 1.017 723 Y CA -0.547 57.253 58.100 -0.500 0.000 1.134 723 Y CB 1.342 39.247 38.460 -0.924 0.000 1.144 723 Y HN -0.144 nan 8.280 nan 0.000 0.655 724 S N 0.338 115.972 115.700 -0.108 0.000 2.593 724 S HA 0.004 4.485 4.470 0.019 0.000 0.235 724 S C 1.714 176.273 174.600 -0.068 0.000 1.059 724 S CA -0.036 58.109 58.200 -0.091 0.000 0.953 724 S CB 0.157 63.303 63.200 -0.089 0.000 0.897 724 S HN 0.685 nan 8.310 nan 0.000 0.507 725 I N 0.707 121.241 120.570 -0.061 0.000 2.756 725 I HA 0.038 4.219 4.170 0.019 0.000 0.262 725 I C 1.410 177.495 176.117 -0.053 0.000 1.225 725 I CA 1.368 62.634 61.300 -0.056 0.000 1.472 725 I CB -0.744 37.226 38.000 -0.050 0.000 1.094 725 I HN 0.148 nan 8.210 nan 0.000 0.454 726 L N 0.779 121.966 121.223 -0.060 0.000 2.376 726 L HA 0.171 4.522 4.340 0.019 0.000 0.219 726 L C 1.595 178.430 176.870 -0.058 0.000 1.133 726 L CA 0.863 55.659 54.840 -0.073 0.000 0.816 726 L CB -0.396 41.594 42.059 -0.115 0.000 0.933 726 L HN 0.499 nan 8.230 nan 0.000 0.449 727 A N -1.801 120.990 122.820 -0.048 0.000 3.019 727 A HA 0.280 4.611 4.320 0.019 0.000 0.202 727 A C -1.715 175.848 177.584 -0.034 0.000 0.924 727 A CA -0.470 51.545 52.037 -0.035 0.000 1.156 727 A CB -0.280 18.703 19.000 -0.028 0.000 1.265 727 A HN -0.059 nan 8.150 nan 0.000 0.526 728 P HA -0.261 nan 4.420 nan 0.000 0.214 728 P C 0.878 178.157 177.300 -0.034 0.000 1.172 728 P CA 1.918 64.993 63.100 -0.042 0.000 0.925 728 P CB -0.269 31.401 31.700 -0.050 0.000 0.793 729 N N 0.024 118.706 118.700 -0.030 0.000 2.567 729 N HA 0.036 4.787 4.740 0.019 0.000 0.195 729 N C 1.009 176.508 175.510 -0.019 0.000 1.242 729 N CA 0.687 53.724 53.050 -0.023 0.000 0.884 729 N CB -0.481 37.995 38.487 -0.018 0.000 1.007 729 N HN 0.165 nan 8.380 nan 0.000 0.450 730 A N 0.332 123.140 122.820 -0.020 0.000 2.574 730 A HA 0.434 4.765 4.320 0.019 0.000 0.283 730 A C 0.370 177.945 177.584 -0.014 0.000 1.270 730 A CA -0.467 51.560 52.037 -0.016 0.000 0.945 730 A CB 0.131 19.121 19.000 -0.017 0.000 1.127 730 A HN 0.218 nan 8.150 nan 0.000 0.522 731 I N -0.216 120.344 120.570 -0.016 0.000 2.785 731 I HA 0.322 4.503 4.170 0.019 0.000 0.302 731 I C -1.150 174.958 176.117 -0.014 0.000 1.069 731 I CA -2.001 59.291 61.300 -0.014 0.000 1.045 731 I CB 2.091 40.082 38.000 -0.015 0.000 1.236 731 I HN 0.035 nan 8.210 nan 0.000 0.429 732 P HA -0.131 nan 4.420 nan 0.000 0.214 732 P C 0.272 177.564 177.300 -0.013 0.000 1.162 732 P CA 0.927 64.021 63.100 -0.011 0.000 0.879 732 P CB 0.395 32.089 31.700 -0.009 0.000 0.786 738 G N 0.833 109.670 108.800 0.061 0.000 1.801 738 G HA2 0.009 3.980 3.960 0.019 0.000 0.203 738 G HA3 0.009 3.980 3.960 0.019 0.000 0.203 738 G C 1.357 176.314 174.900 0.095 0.000 2.274 738 G CA 1.219 46.390 45.100 0.119 0.000 1.481 738 G HN 0.752 nan 8.290 nan 0.000 0.471 739 K N 0.888 121.337 120.400 0.081 0.000 2.519 739 K HA 0.270 4.601 4.320 0.019 0.000 0.196 739 K C 2.488 178.944 176.600 -0.240 0.000 1.041 739 K CA 2.844 59.000 56.287 -0.218 0.000 0.954 739 K CB -1.074 31.422 32.500 -0.006 0.000 0.774 739 K HN 1.423 nan 8.250 nan 0.000 0.480 740 T N -3.256 111.242 114.554 -0.092 0.000 2.980 740 T HA -0.021 4.340 4.350 0.019 0.000 0.239 740 T C 2.038 176.712 174.700 -0.044 0.000 1.011 740 T CA 0.894 62.953 62.100 -0.067 0.000 1.171 740 T CB -0.451 68.399 68.868 -0.029 0.000 0.873 740 T HN 0.020 nan 8.240 nan 0.000 0.431 741 V N 2.418 122.329 119.914 -0.005 0.000 2.233 741 V HA -0.265 3.866 4.120 0.019 0.000 0.252 741 V C 3.045 179.177 176.094 0.062 0.000 1.063 741 V CA 2.493 64.810 62.300 0.028 0.000 1.032 741 V CB -1.284 30.570 31.823 0.052 0.000 0.645 741 V HN 0.556 nan 8.190 nan 0.000 0.446 742 S N -0.884 114.873 115.700 0.095 0.000 2.407 742 S HA -0.275 4.206 4.470 0.019 0.000 0.235 742 S C 1.850 176.499 174.600 0.082 0.000 1.036 742 S CA 1.992 60.319 58.200 0.212 0.000 1.013 742 S CB -0.355 62.853 63.200 0.014 0.000 0.820 742 S HN 0.777 nan 8.310 nan 0.000 0.476 743 E N 0.618 120.787 120.200 -0.052 0.000 2.072 743 E HA -0.049 4.313 4.350 0.019 0.000 0.190 743 E C 2.138 178.726 176.600 -0.019 0.000 0.982 743 E CA 0.651 57.014 56.400 -0.061 0.000 0.803 743 E CB -0.095 29.557 29.700 -0.080 0.000 0.755 743 E HN 0.352 nan 8.360 nan 0.000 0.453 744 K N 0.724 121.122 120.400 -0.003 0.000 2.148 744 K HA -0.068 4.264 4.320 0.019 0.000 0.204 744 K C 2.051 178.655 176.600 0.007 0.000 1.050 744 K CA 0.769 57.055 56.287 -0.001 0.000 0.942 744 K CB -0.025 32.473 32.500 -0.002 0.000 0.724 744 K HN 0.145 nan 8.250 nan 0.000 0.446 745 I N 0.818 121.415 120.570 0.045 0.000 2.676 745 I HA -0.245 3.936 4.170 0.019 0.000 0.259 745 I C 1.899 178.045 176.117 0.049 0.000 1.194 745 I CA 0.821 62.159 61.300 0.064 0.000 1.473 745 I CB -0.000 38.087 38.000 0.145 0.000 1.096 745 I HN 0.121 nan 8.210 nan 0.000 0.443 746 L N -0.219 121.011 121.223 0.011 0.000 2.121 746 L HA -0.105 4.247 4.340 0.019 0.000 0.200 746 L C 2.857 179.649 176.870 -0.130 0.000 1.077 746 L CA 1.587 56.342 54.840 -0.141 0.000 0.766 746 L CB -0.846 41.002 42.059 -0.351 0.000 0.931 746 L HN 0.303 nan 8.230 nan 0.000 0.452 747 T N -2.488 112.022 114.554 -0.073 0.000 2.720 747 T HA -0.155 4.206 4.350 0.019 0.000 0.268 747 T C 1.914 176.601 174.700 -0.022 0.000 1.037 747 T CA 1.240 63.325 62.100 -0.025 0.000 1.144 747 T CB -1.123 67.742 68.868 -0.005 0.000 0.864 747 T HN 0.377 nan 8.240 nan 0.000 0.444 748 G N 1.074 109.860 108.800 -0.023 0.000 2.470 748 G HA2 0.031 4.002 3.960 0.019 0.000 0.220 748 G HA3 0.031 4.002 3.960 0.019 0.000 0.220 748 G C 1.435 176.318 174.900 -0.029 0.000 1.121 748 G CA 0.502 45.589 45.100 -0.021 0.000 0.766 748 G HN 0.564 nan 8.290 nan 0.000 0.553 749 L N -0.697 120.501 121.223 -0.042 0.000 2.592 749 L HA 0.144 4.495 4.340 0.019 0.000 0.227 749 L C 1.182 178.031 176.870 -0.036 0.000 1.127 749 L CA 0.223 55.033 54.840 -0.050 0.000 0.884 749 L CB -0.092 41.921 42.059 -0.078 0.000 1.065 749 L HN 0.326 nan 8.230 nan 0.000 0.457 750 Q N -1.179 118.608 119.800 -0.020 0.000 2.503 750 Q HA -0.230 4.121 4.340 0.019 0.000 0.267 750 Q C 0.388 176.397 176.000 0.014 0.000 1.030 750 Q CA 0.594 56.399 55.803 0.003 0.000 1.041 750 Q CB -1.621 27.117 28.738 0.001 0.000 1.406 750 Q HN 0.433 nan 8.270 nan 0.000 0.524 751 M N 1.672 121.267 119.600 -0.009 0.000 2.269 751 M HA 0.019 4.510 4.480 0.019 0.000 0.350 751 M C -0.009 176.382 176.300 0.152 0.000 1.429 751 M CA 0.447 55.754 55.300 0.013 0.000 1.063 751 M CB 0.375 32.904 32.600 -0.118 0.000 1.841 751 M HN 0.074 nan 8.290 nan 0.000 0.455 752 D N 7.638 128.134 120.400 0.161 0.000 2.402 752 D HA 0.072 4.723 4.640 0.019 0.000 0.268 752 D C -1.783 174.700 176.300 0.306 0.000 1.294 752 D CA -1.124 52.987 54.000 0.186 0.000 0.945 752 D CB 0.798 41.672 40.800 0.123 0.000 1.112 752 D HN 0.345 nan 8.370 nan 0.000 0.517 753 P HA -0.218 nan 4.420 nan 0.000 0.221 753 P C 0.671 177.846 177.300 -0.209 0.000 1.140 753 P CA 1.158 64.263 63.100 0.007 0.000 0.797 753 P CB 0.110 31.795 31.700 -0.026 0.000 0.756 754 S N -2.820 112.886 115.700 0.010 0.000 2.517 754 S HA 0.116 4.597 4.470 0.019 0.000 0.214 754 S C 1.568 176.288 174.600 0.200 0.000 0.991 754 S CA 0.023 58.248 58.200 0.041 0.000 0.906 754 S CB -0.271 62.951 63.200 0.036 0.000 0.789 754 S HN -0.007 nan 8.310 nan 0.000 0.513 755 E N 0.791 121.159 120.200 0.280 0.000 2.442 755 E HA 0.224 4.585 4.350 0.019 0.000 0.195 755 E C 0.081 177.056 176.600 0.625 0.000 1.030 755 E CA 0.244 56.873 56.400 0.382 0.000 0.869 755 E CB 0.136 30.030 29.700 0.324 0.000 0.857 755 E HN 0.888 nan 8.360 nan 0.000 0.505 756 Y N -2.427 118.071 120.300 0.331 0.000 2.698 756 Y HA 0.836 5.397 4.550 0.019 0.000 0.332 756 Y C -0.807 175.005 175.900 -0.148 0.000 1.119 756 Y CA -1.847 56.376 58.100 0.205 0.000 1.109 756 Y CB 1.025 39.615 38.460 0.218 0.000 1.308 756 Y HN -0.378 nan 8.280 nan 0.000 0.499 757 R N 0.567 120.875 120.500 -0.319 0.000 2.563 757 R HA 0.562 4.913 4.340 0.019 0.000 0.262 757 R C -2.426 173.617 176.300 -0.429 0.000 1.128 757 R CA -0.611 55.111 56.100 -0.630 0.000 0.969 757 R CB 1.576 31.182 30.300 -1.157 0.000 1.251 757 R HN 0.826 nan 8.270 nan 0.000 0.442 758 L N 3.322 124.346 121.223 -0.331 0.000 2.313 758 L HA 0.499 4.851 4.340 0.019 0.000 0.273 758 L C 1.284 178.047 176.870 -0.177 0.000 1.028 758 L CA -0.278 54.476 54.840 -0.142 0.000 0.871 758 L CB 1.761 43.773 42.059 -0.079 0.000 1.242 758 L HN 0.894 nan 8.230 nan 0.000 0.434 759 G N 1.839 110.508 108.800 -0.219 0.000 2.798 759 G HA2 0.088 4.059 3.960 0.019 0.000 0.202 759 G HA3 0.088 4.059 3.960 0.019 0.000 0.202 759 G C 0.315 175.193 174.900 -0.036 0.000 1.432 759 G CA 1.131 46.101 45.100 -0.217 0.000 0.861 759 G HN 0.539 nan 8.290 nan 0.000 0.598 760 T N -3.961 110.608 114.554 0.025 0.000 4.735 760 T HA 0.437 4.799 4.350 0.019 0.000 0.194 760 T C 0.016 174.723 174.700 0.012 0.000 0.865 760 T CA 0.583 62.722 62.100 0.066 0.000 1.303 760 T CB -0.214 68.665 68.868 0.019 0.000 0.775 760 T HN 0.891 nan 8.240 nan 0.000 0.532 761 T N 0.104 114.590 114.554 -0.113 0.000 3.758 761 T HA 0.092 4.453 4.350 0.019 0.000 0.281 761 T C -0.836 173.395 174.700 -0.782 0.000 0.970 761 T CA 0.796 62.727 62.100 -0.281 0.000 0.875 761 T CB -0.368 68.416 68.868 -0.140 0.000 1.111 761 T HN 0.916 nan 8.240 nan 0.000 0.850 762 K N 0.297 120.219 120.400 -0.797 0.000 2.533 762 K HA 0.837 5.168 4.320 0.019 0.000 0.284 762 K C -1.723 174.711 176.600 -0.277 0.000 1.025 762 K CA -0.960 54.811 56.287 -0.860 0.000 0.900 762 K CB 2.254 34.528 32.500 -0.377 0.000 1.519 762 K HN 0.072 nan 8.250 nan 0.000 0.432 763 V N 1.936 121.811 119.914 -0.066 0.000 2.487 763 V HA 0.551 4.683 4.120 0.019 0.000 0.298 763 V C -1.722 174.244 176.094 -0.214 0.000 1.028 763 V CA -0.697 61.605 62.300 0.004 0.000 0.860 763 V CB 0.901 32.632 31.823 -0.153 0.000 0.991 763 V HN 0.608 nan 8.190 nan 0.000 0.427 764 F N 6.811 126.409 119.950 -0.588 0.000 2.404 764 F HA 0.691 5.229 4.527 0.019 0.000 0.339 764 F C -0.137 175.436 175.800 -0.379 0.000 1.105 764 F CA -1.360 56.391 58.000 -0.415 0.000 1.087 764 F CB 0.928 39.741 39.000 -0.312 0.000 1.143 764 F HN 0.302 nan 8.300 nan 0.000 0.491 765 F N 1.069 121.264 119.950 0.407 0.000 2.556 765 F HA 0.550 5.088 4.527 0.019 0.000 0.327 765 F C 0.659 176.680 175.800 0.369 0.000 1.059 765 F CA -1.327 56.901 58.000 0.379 0.000 0.953 765 F CB 1.075 40.207 39.000 0.220 0.000 1.227 765 F HN 0.258 nan 8.300 nan 0.000 0.478 766 K N 1.012 121.701 120.400 0.482 0.000 2.213 766 K HA 0.412 4.743 4.320 0.019 0.000 0.243 766 K C -0.379 176.292 176.600 0.118 0.000 1.085 766 K CA 0.115 56.481 56.287 0.133 0.000 0.818 766 K CB 0.016 32.574 32.500 0.098 0.000 1.106 766 K HN 0.694 nan 8.250 nan 0.000 0.520 767 A N 0.612 123.454 122.820 0.036 0.000 2.438 767 A HA 0.414 4.745 4.320 0.019 0.000 0.280 767 A C 0.692 178.316 177.584 0.065 0.000 1.160 767 A CA 0.419 52.487 52.037 0.052 0.000 0.821 767 A CB -1.366 17.657 19.000 0.039 0.000 1.101 767 A HN 0.903 nan 8.150 nan 0.000 0.515 768 G N 1.724 110.530 108.800 0.009 0.000 2.295 768 G HA2 -0.180 3.791 3.960 0.019 0.000 0.287 768 G HA3 -0.180 3.791 3.960 0.019 0.000 0.287 768 G C 0.655 175.441 174.900 -0.189 0.000 1.055 768 G CA 0.359 45.359 45.100 -0.167 0.000 0.922 768 G HN 1.449 nan 8.290 nan 0.000 0.503 769 V N -0.640 119.218 119.914 -0.094 0.000 2.992 769 V HA 0.129 4.260 4.120 0.019 0.000 0.250 769 V C 2.592 178.531 176.094 -0.258 0.000 1.090 769 V CA 1.597 63.825 62.300 -0.120 0.000 1.101 769 V CB 0.053 31.852 31.823 -0.040 0.000 0.743 769 V HN 0.424 nan 8.190 nan 0.000 0.468 770 L N 1.134 122.216 121.223 -0.234 0.000 2.187 770 L HA -0.029 4.323 4.340 0.019 0.000 0.213 770 L C 2.376 179.101 176.870 -0.240 0.000 1.100 770 L CA 2.120 56.855 54.840 -0.175 0.000 0.765 770 L CB -1.434 40.687 42.059 0.103 0.000 0.904 770 L HN 0.369 nan 8.230 nan 0.000 0.437 771 G N -0.659 107.860 108.800 -0.469 0.000 2.453 771 G HA2 -0.305 3.666 3.960 0.019 0.000 0.215 771 G HA3 -0.305 3.666 3.960 0.019 0.000 0.215 771 G C 1.447 176.198 174.900 -0.249 0.000 1.201 771 G CA 0.719 45.484 45.100 -0.559 0.000 0.784 771 G HN 0.437 nan 8.290 nan 0.000 0.545 772 N N 0.811 119.391 118.700 -0.201 0.000 2.192 772 N HA -0.076 4.676 4.740 0.019 0.000 0.188 772 N C 1.767 177.154 175.510 -0.205 0.000 1.013 772 N CA 0.580 53.549 53.050 -0.136 0.000 0.863 772 N CB -0.349 38.072 38.487 -0.110 0.000 0.990 772 N HN 0.269 nan 8.380 nan 0.000 0.430 773 L N 1.022 122.055 121.223 -0.318 0.000 2.718 773 L HA 0.088 4.439 4.340 0.019 0.000 0.242 773 L C 0.692 177.372 176.870 -0.317 0.000 1.203 773 L CA 0.528 55.045 54.840 -0.538 0.000 1.011 773 L CB -0.030 41.447 42.059 -0.970 0.000 1.250 773 L HN 0.021 nan 8.230 nan 0.000 0.437 774 E N -1.112 119.006 120.200 -0.138 0.000 2.646 774 E HA 0.015 4.376 4.350 0.019 0.000 0.207 774 E C 1.381 177.968 176.600 -0.023 0.000 0.922 774 E CA 0.134 56.515 56.400 -0.031 0.000 1.482 774 E CB 0.604 30.294 29.700 -0.016 0.000 1.509 774 E HN 0.323 nan 8.360 nan 0.000 0.831 775 E N 0.652 120.834 120.200 -0.029 0.000 2.086 775 E HA 0.085 4.447 4.350 0.019 0.000 0.190 775 E C 2.047 178.642 176.600 -0.008 0.000 0.975 775 E CA 0.705 57.118 56.400 0.023 0.000 0.813 775 E CB 0.070 29.788 29.700 0.030 0.000 0.768 775 E HN 0.252 nan 8.360 nan 0.000 0.457 776 M N 0.599 120.165 119.600 -0.057 0.000 2.074 776 M HA -0.032 4.459 4.480 0.019 0.000 0.258 776 M C 2.591 178.858 176.300 -0.056 0.000 1.083 776 M CA 1.253 56.512 55.300 -0.068 0.000 1.128 776 M CB -0.499 32.030 32.600 -0.118 0.000 1.301 776 M HN -0.068 nan 8.290 nan 0.000 0.417 777 R N 1.094 121.549 120.500 -0.075 0.000 2.171 777 R HA -0.292 4.059 4.340 0.019 0.000 0.232 777 R C 2.091 178.386 176.300 -0.009 0.000 1.116 777 R CA 2.675 58.760 56.100 -0.025 0.000 0.901 777 R CB -0.900 29.432 30.300 0.053 0.000 0.850 777 R HN 0.475 nan 8.270 nan 0.000 0.431 778 D N -0.047 120.354 120.400 0.003 0.000 2.242 778 D HA -0.289 4.362 4.640 0.019 0.000 0.190 778 D C 1.574 177.883 176.300 0.015 0.000 1.012 778 D CA 2.370 56.378 54.000 0.013 0.000 0.875 778 D CB -0.220 40.599 40.800 0.033 0.000 0.922 778 D HN 0.702 nan 8.370 nan 0.000 0.448 779 E N -0.865 119.342 120.200 0.012 0.000 2.250 779 E HA -0.075 4.286 4.350 0.019 0.000 0.192 779 E C 1.091 177.690 176.600 -0.001 0.000 0.986 779 E CA -0.072 56.334 56.400 0.011 0.000 0.849 779 E CB 0.128 29.835 29.700 0.013 0.000 0.797 779 E HN -0.023 nan 8.360 nan 0.000 0.482 780 R N 1.579 122.072 120.500 -0.012 0.000 4.141 780 R HA 0.188 4.539 4.340 0.019 0.000 0.281 780 R C 0.512 176.800 176.300 -0.020 0.000 1.608 780 R CA 0.022 56.111 56.100 -0.019 0.000 1.426 780 R CB 0.441 30.722 30.300 -0.032 0.000 1.432 780 R HN 0.400 nan 8.270 nan 0.000 0.708 781 L N -1.795 119.420 121.223 -0.013 0.000 2.481 781 L HA 0.109 4.461 4.340 0.019 0.000 0.253 781 L C 1.030 177.896 176.870 -0.007 0.000 1.071 781 L CA 0.550 55.379 54.840 -0.019 0.000 1.189 781 L CB -0.230 41.816 42.059 -0.021 0.000 2.356 781 L HN 0.024 nan 8.230 nan 0.000 0.545 782 S N 1.182 116.883 115.700 0.003 0.000 2.368 782 S HA -0.210 4.271 4.470 0.019 0.000 0.225 782 S C 1.590 176.201 174.600 0.018 0.000 1.030 782 S CA 2.058 60.266 58.200 0.013 0.000 0.999 782 S CB -0.194 63.015 63.200 0.016 0.000 0.844 782 S HN 0.352 nan 8.310 nan 0.000 0.459 783 K N 0.744 121.151 120.400 0.013 0.000 2.519 783 K HA 0.059 4.390 4.320 0.019 0.000 0.196 783 K C 1.248 177.862 176.600 0.023 0.000 1.041 783 K CA 0.757 57.055 56.287 0.018 0.000 0.954 783 K CB -0.038 32.468 32.500 0.010 0.000 0.774 783 K HN 0.246 nan 8.250 nan 0.000 0.480 784 I N 0.237 120.816 120.570 0.015 0.000 3.339 784 I HA -0.083 4.099 4.170 0.019 0.000 0.285 784 I C 1.641 177.783 176.117 0.041 0.000 1.201 784 I CA 0.354 61.660 61.300 0.011 0.000 1.434 784 I CB -0.525 37.457 38.000 -0.030 0.000 1.152 784 I HN 0.061 nan 8.210 nan 0.000 0.443 785 I N 1.549 122.144 120.570 0.041 0.000 2.113 785 I HA -0.255 3.926 4.170 0.019 0.000 0.238 785 I C 2.874 179.078 176.117 0.145 0.000 1.070 785 I CA 1.882 63.234 61.300 0.086 0.000 1.332 785 I CB -1.662 36.371 38.000 0.055 0.000 1.044 785 I HN 0.242 nan 8.210 nan 0.000 0.402 786 S N 1.375 117.130 115.700 0.093 0.000 2.365 786 S HA -0.245 4.237 4.470 0.019 0.000 0.225 786 S C 2.078 176.742 174.600 0.107 0.000 1.039 786 S CA 1.427 59.676 58.200 0.082 0.000 1.033 786 S CB -0.888 62.343 63.200 0.052 0.000 0.887 786 S HN 0.388 nan 8.310 nan 0.000 0.447 787 M N -0.311 119.357 119.600 0.114 0.000 2.337 787 M HA -0.040 4.451 4.480 0.019 0.000 0.261 787 M C 1.932 178.371 176.300 0.232 0.000 1.067 787 M CA 1.579 56.962 55.300 0.137 0.000 1.074 787 M CB -0.429 32.239 32.600 0.113 0.000 1.395 787 M HN 0.457 nan 8.290 nan 0.000 0.431 788 F N 1.007 120.983 119.950 0.044 0.000 2.164 788 F HA -0.079 4.460 4.527 0.019 0.000 0.287 788 F C 2.460 178.297 175.800 0.062 0.000 1.086 788 F CA 1.096 59.123 58.000 0.044 0.000 1.249 788 F CB -0.566 38.426 39.000 -0.013 0.000 1.059 788 F HN 0.018 nan 8.300 nan 0.000 0.490 789 Q N 0.571 120.431 119.800 0.099 0.000 2.182 789 Q HA -0.276 4.076 4.340 0.019 0.000 0.213 789 Q C 2.251 178.211 176.000 -0.067 0.000 1.000 789 Q CA 2.028 57.815 55.803 -0.028 0.000 0.889 789 Q CB -1.198 27.563 28.738 0.039 0.000 0.932 789 Q HN 0.536 nan 8.270 nan 0.000 0.415 790 A N -0.593 122.226 122.820 -0.003 0.000 2.081 790 A HA -0.092 4.239 4.320 0.019 0.000 0.214 790 A C 1.667 179.238 177.584 -0.022 0.000 1.158 790 A CA 0.906 52.938 52.037 -0.008 0.000 0.724 790 A CB -0.439 18.570 19.000 0.015 0.000 0.826 790 A HN 0.435 nan 8.150 nan 0.000 0.463 791 H N -1.054 117.960 119.070 -0.092 0.000 2.547 791 H HA 0.235 4.802 4.556 0.019 0.000 0.272 791 H C 0.993 176.217 175.328 -0.173 0.000 0.989 791 H CA 0.866 56.864 56.048 -0.083 0.000 1.214 791 H CB 0.140 29.886 29.762 -0.025 0.000 1.389 791 H HN 0.353 nan 8.280 nan 0.000 0.577 792 I N 1.328 121.805 120.570 -0.155 0.000 3.654 792 I HA 0.163 4.345 4.170 0.019 0.000 0.337 792 I C -0.346 175.727 176.117 -0.072 0.000 1.568 792 I CA 0.037 61.214 61.300 -0.206 0.000 1.115 792 I CB -0.450 37.248 38.000 -0.503 0.000 1.300 792 I HN 0.366 nan 8.210 nan 0.000 0.471 793 R N -1.294 119.193 120.500 -0.022 0.000 2.486 793 R HA 0.333 4.684 4.340 0.019 0.000 0.388 793 R C 0.556 176.854 176.300 -0.003 0.000 0.810 793 R CA 0.362 56.462 56.100 -0.000 0.000 1.057 793 R CB -0.319 29.970 30.300 -0.018 0.000 1.670 793 R HN 0.170 nan 8.270 nan 0.000 0.551 794 G N 0.230 109.030 108.800 -0.001 0.000 2.780 794 G HA2 -0.140 3.832 3.960 0.019 0.000 0.198 794 G HA3 -0.140 3.832 3.960 0.019 0.000 0.198 794 G C 0.758 175.656 174.900 -0.004 0.000 1.067 794 G CA -0.045 45.033 45.100 -0.037 0.000 0.765 794 G HN 0.199 nan 8.290 nan 0.000 0.581 795 Y N 1.449 121.693 120.300 -0.093 0.000 2.421 795 Y HA 0.135 4.697 4.550 0.019 0.000 0.292 795 Y C 2.157 178.032 175.900 -0.041 0.000 1.136 795 Y CA 1.091 59.153 58.100 -0.063 0.000 1.255 795 Y CB 0.072 38.501 38.460 -0.051 0.000 0.991 795 Y HN 0.083 nan 8.280 nan 0.000 0.552 796 L N -0.773 120.501 121.223 0.084 0.000 2.249 796 L HA -0.107 4.244 4.340 0.019 0.000 0.207 796 L C 1.942 178.793 176.870 -0.032 0.000 1.090 796 L CA 0.207 55.061 54.840 0.024 0.000 0.802 796 L CB -0.317 41.777 42.059 0.059 0.000 0.947 796 L HN 0.201 nan 8.230 nan 0.000 0.453 797 I N -0.240 120.317 120.570 -0.023 0.000 2.277 797 I HA -0.147 4.034 4.170 0.019 0.000 0.243 797 I C 2.236 178.341 176.117 -0.019 0.000 1.094 797 I CA 1.204 62.499 61.300 -0.009 0.000 1.393 797 I CB -1.246 36.751 38.000 -0.004 0.000 1.078 797 I HN 0.220 nan 8.210 nan 0.000 0.417 798 R N 0.918 121.368 120.500 -0.084 0.000 2.357 798 R HA -0.142 4.209 4.340 0.019 0.000 0.202 798 R C 1.933 178.151 176.300 -0.136 0.000 1.047 798 R CA 0.583 56.607 56.100 -0.127 0.000 1.034 798 R CB -0.044 30.159 30.300 -0.162 0.000 0.875 798 R HN 0.216 nan 8.270 nan 0.000 0.473 799 K N 0.268 120.577 120.400 -0.152 0.000 2.214 799 K HA 0.146 4.477 4.320 0.019 0.000 0.201 799 K C 1.557 178.124 176.600 -0.055 0.000 1.049 799 K CA 0.957 57.140 56.287 -0.173 0.000 0.978 799 K CB 0.131 32.473 32.500 -0.262 0.000 0.842 799 K HN 0.016 nan 8.250 nan 0.000 0.474 800 A N -0.232 122.578 122.820 -0.017 0.000 2.206 800 A HA -0.013 4.318 4.320 0.019 0.000 0.211 800 A C 1.640 179.247 177.584 0.039 0.000 1.158 800 A CA 0.461 52.501 52.037 0.005 0.000 0.761 800 A CB -0.760 18.242 19.000 0.003 0.000 0.801 800 A HN 0.393 nan 8.150 nan 0.000 0.473 801 Y N 0.950 121.211 120.300 -0.065 0.000 1.977 801 Y HA -0.363 4.198 4.550 0.019 0.000 0.264 801 Y C 2.423 178.297 175.900 -0.044 0.000 1.167 801 Y CA 2.557 60.625 58.100 -0.053 0.000 1.102 801 Y CB -0.400 38.026 38.460 -0.057 0.000 0.948 801 Y HN 0.345 nan 8.280 nan 0.000 0.489 802 K N 0.204 120.583 120.400 -0.036 0.000 2.026 802 K HA -0.257 4.074 4.320 0.019 0.000 0.208 802 K C 2.312 178.841 176.600 -0.118 0.000 1.048 802 K CA 1.891 58.110 56.287 -0.114 0.000 0.929 802 K CB -0.332 32.151 32.500 -0.028 0.000 0.713 802 K HN 0.272 nan 8.250 nan 0.000 0.439 803 K N 0.331 120.690 120.400 -0.069 0.000 2.173 803 K HA -0.196 4.135 4.320 0.019 0.000 0.207 803 K C 1.980 178.529 176.600 -0.085 0.000 1.046 803 K CA 1.304 57.555 56.287 -0.061 0.000 0.929 803 K CB -0.090 32.386 32.500 -0.040 0.000 0.720 803 K HN 0.104 nan 8.250 nan 0.000 0.453 804 L N 1.714 122.867 121.223 -0.117 0.000 2.095 804 L HA -0.127 4.225 4.340 0.019 0.000 0.204 804 L C 2.388 179.142 176.870 -0.194 0.000 1.080 804 L CA 1.759 56.514 54.840 -0.142 0.000 0.759 804 L CB -0.857 41.116 42.059 -0.142 0.000 0.914 804 L HN 0.429 nan 8.230 nan 0.000 0.439 805 Q N -2.064 117.560 119.800 -0.294 0.000 2.187 805 Q HA -0.158 4.193 4.340 0.019 0.000 0.199 805 Q C 1.444 177.350 176.000 -0.157 0.000 0.957 805 Q CA 1.273 56.917 55.803 -0.264 0.000 0.857 805 Q CB -0.434 28.085 28.738 -0.365 0.000 0.929 805 Q HN 0.306 nan 8.270 nan 0.000 0.453 806 D N 1.582 121.903 120.400 -0.132 0.000 2.104 806 D HA -0.169 4.483 4.640 0.019 0.000 0.194 806 D C 2.208 178.464 176.300 -0.074 0.000 0.994 806 D CA 1.368 55.316 54.000 -0.087 0.000 0.830 806 D CB -0.121 40.636 40.800 -0.070 0.000 0.959 806 D HN 0.266 nan 8.370 nan 0.000 0.452 807 Q N 0.230 119.983 119.800 -0.078 0.000 2.096 807 Q HA -0.226 4.125 4.340 0.019 0.000 0.208 807 Q C 2.308 178.272 176.000 -0.060 0.000 0.993 807 Q CA 1.158 56.923 55.803 -0.063 0.000 0.862 807 Q CB -0.372 28.328 28.738 -0.063 0.000 0.915 807 Q HN 0.351 nan 8.270 nan 0.000 0.416 808 R N 0.260 120.716 120.500 -0.072 0.000 2.132 808 R HA -0.192 4.159 4.340 0.019 0.000 0.233 808 R C 2.399 178.669 176.300 -0.051 0.000 1.125 808 R CA 1.683 57.746 56.100 -0.062 0.000 0.914 808 R CB -0.314 29.941 30.300 -0.074 0.000 0.845 808 R HN 0.175 nan 8.270 nan 0.000 0.431 809 I N 0.453 120.991 120.570 -0.054 0.000 2.074 809 I HA -0.280 3.901 4.170 0.019 0.000 0.238 809 I C 2.473 178.567 176.117 -0.038 0.000 1.037 809 I CA 2.173 63.447 61.300 -0.043 0.000 1.301 809 I CB -1.881 36.093 38.000 -0.043 0.000 1.016 809 I HN 0.538 nan 8.210 nan 0.000 0.400 810 G N 0.060 108.836 108.800 -0.040 0.000 2.499 810 G HA2 -0.243 3.728 3.960 0.019 0.000 0.221 810 G HA3 -0.243 3.728 3.960 0.019 0.000 0.221 810 G C 1.684 176.563 174.900 -0.035 0.000 1.109 810 G CA 0.945 46.023 45.100 -0.037 0.000 0.749 810 G HN 0.359 nan 8.290 nan 0.000 0.568 811 L N 1.247 122.448 121.223 -0.036 0.000 2.189 811 L HA 0.157 4.508 4.340 0.019 0.000 0.199 811 L C 2.906 179.759 176.870 -0.028 0.000 1.074 811 L CA 2.095 56.917 54.840 -0.031 0.000 0.783 811 L CB -0.667 41.373 42.059 -0.032 0.000 0.955 811 L HN 0.227 nan 8.230 nan 0.000 0.460 812 S N -1.603 114.079 115.700 -0.030 0.000 2.528 812 S HA -0.124 4.357 4.470 0.019 0.000 0.244 812 S C 1.789 176.374 174.600 -0.025 0.000 0.982 812 S CA 1.176 59.361 58.200 -0.027 0.000 0.953 812 S CB -0.968 62.215 63.200 -0.029 0.000 0.754 812 S HN 0.257 nan 8.310 nan 0.000 0.529 813 V N 1.217 121.115 119.914 -0.026 0.000 2.426 813 V HA -0.008 4.123 4.120 0.019 0.000 0.242 813 V C 2.335 178.415 176.094 -0.023 0.000 1.036 813 V CA 0.830 63.115 62.300 -0.025 0.000 1.044 813 V CB -0.335 31.472 31.823 -0.028 0.000 0.688 813 V HN 0.386 nan 8.190 nan 0.000 0.462 814 I N 0.282 120.837 120.570 -0.026 0.000 2.091 814 I HA -0.318 3.863 4.170 0.019 0.000 0.239 814 I C 2.556 178.667 176.117 -0.009 0.000 1.061 814 I CA 1.772 63.057 61.300 -0.025 0.000 1.317 814 I CB -1.604 36.379 38.000 -0.028 0.000 1.031 814 I HN 0.445 nan 8.210 nan 0.000 0.401 815 Q N 0.012 119.808 119.800 -0.008 0.000 1.967 815 Q HA -0.278 4.073 4.340 0.019 0.000 0.210 815 Q C 2.384 178.386 176.000 0.003 0.000 1.005 815 Q CA 2.020 57.824 55.803 0.001 0.000 0.862 815 Q CB -0.545 28.188 28.738 -0.008 0.000 0.939 815 Q HN 0.401 nan 8.270 nan 0.000 0.417 816 R N 0.912 121.407 120.500 -0.009 0.000 2.134 816 R HA -0.256 4.095 4.340 0.019 0.000 0.248 816 R C 1.612 177.909 176.300 -0.005 0.000 1.143 816 R CA 2.365 58.456 56.100 -0.015 0.000 0.957 816 R CB -0.413 29.874 30.300 -0.021 0.000 0.867 816 R HN 0.304 nan 8.270 nan 0.000 0.441 817 N N -0.359 118.342 118.700 0.000 0.000 2.188 817 N HA -0.105 4.647 4.740 0.019 0.000 0.184 817 N C 1.736 177.288 175.510 0.070 0.000 1.018 817 N CA 1.176 54.234 53.050 0.013 0.000 0.858 817 N CB -0.074 38.406 38.487 -0.013 0.000 0.989 817 N HN 0.141 nan 8.380 nan 0.000 0.426 818 I N 0.974 121.595 120.570 0.085 0.000 2.226 818 I HA -0.175 4.006 4.170 0.019 0.000 0.245 818 I C 2.009 178.296 176.117 0.283 0.000 1.100 818 I CA 1.193 62.629 61.300 0.226 0.000 1.374 818 I CB -0.113 37.992 38.000 0.176 0.000 1.057 818 I HN 0.055 nan 8.210 nan 0.000 0.413 819 R N -0.198 120.365 120.500 0.105 0.000 2.092 819 R HA -0.122 4.229 4.340 0.019 0.000 0.231 819 R C 2.249 178.529 176.300 -0.032 0.000 1.119 819 R CA 0.840 56.950 56.100 0.017 0.000 0.970 819 R CB -0.227 30.061 30.300 -0.021 0.000 0.864 819 R HN 0.100 nan 8.270 nan 0.000 0.440 820 K N 0.095 120.487 120.400 -0.013 0.000 2.032 820 K HA -0.152 4.180 4.320 0.019 0.000 0.209 820 K C 0.778 177.325 176.600 -0.088 0.000 1.048 820 K CA 0.859 57.099 56.287 -0.078 0.000 0.927 820 K CB -0.377 32.092 32.500 -0.053 0.000 0.712 820 K HN 0.125 nan 8.250 nan 0.000 0.441 821 W N 0.651 121.839 121.300 -0.187 0.000 1.924 821 W HA 0.128 4.799 4.660 0.019 0.000 0.363 821 W C 1.269 177.680 176.519 -0.181 0.000 1.435 821 W CA 0.230 57.452 57.345 -0.204 0.000 1.497 821 W CB 0.187 29.578 29.460 -0.114 0.000 1.263 821 W HN 0.186 nan 8.180 nan 0.000 0.667 822 L N 1.137 121.729 121.223 -1.052 0.000 5.360 822 L HA -0.375 3.976 4.340 0.019 0.000 0.435 822 L C 1.159 177.748 176.870 -0.469 0.000 0.974 822 L CA 1.456 55.758 54.840 -0.897 0.000 1.285 822 L CB -1.609 40.048 42.059 -0.670 0.000 1.652 822 L HN 0.554 nan 8.230 nan 0.000 0.666 823 V N -0.712 118.973 119.914 -0.382 0.000 2.672 823 V HA -0.048 4.084 4.120 0.019 0.000 0.242 823 V C 1.934 177.795 176.094 -0.390 0.000 1.059 823 V CA 1.503 63.605 62.300 -0.329 0.000 1.081 823 V CB 0.344 31.979 31.823 -0.313 0.000 0.752 823 V HN 0.365 nan 8.190 nan 0.000 0.472 824 L N 0.628 121.536 121.223 -0.525 0.000 1.938 824 L HA -0.114 4.237 4.340 0.019 0.000 0.212 824 L C 2.286 178.917 176.870 -0.397 0.000 1.085 824 L CA 1.972 56.361 54.840 -0.751 0.000 0.760 824 L CB -0.856 40.346 42.059 -1.428 0.000 0.888 824 L HN 0.345 nan 8.230 nan 0.000 0.433 825 R N 1.555 121.827 120.500 -0.380 0.000 2.623 825 R HA -0.161 4.190 4.340 0.019 0.000 0.217 825 R C 0.206 176.493 176.300 -0.022 0.000 1.576 825 R CA 0.955 57.045 56.100 -0.016 0.000 1.424 825 R CB -0.967 29.270 30.300 -0.105 0.000 0.858 825 R HN 0.489 nan 8.270 nan 0.000 0.497 826 N N -0.832 117.870 118.700 0.003 0.000 2.971 826 N HA -0.051 4.701 4.740 0.019 0.000 0.193 826 N C -1.237 174.313 175.510 0.067 0.000 1.259 826 N CA -0.244 52.807 53.050 0.002 0.000 1.656 826 N CB -0.205 38.228 38.487 -0.091 0.000 1.566 826 N HN 0.309 nan 8.380 nan 0.000 0.631 827 W N 1.603 122.851 121.300 -0.088 0.000 3.434 827 W HA 0.381 5.052 4.660 0.019 0.000 0.238 827 W C 1.096 177.464 176.519 -0.252 0.000 0.910 827 W CA 1.656 58.917 57.345 -0.140 0.000 2.222 827 W CB 0.303 29.733 29.460 -0.050 0.000 1.131 827 W HN 0.304 nan 8.180 nan 0.000 0.636 828 Q N -2.530 117.186 119.800 -0.140 0.000 7.948 828 Q HA -0.165 4.187 4.340 0.019 0.000 0.369 828 Q C 1.287 177.072 176.000 -0.358 0.000 0.947 828 Q CA 1.471 57.010 55.803 -0.441 0.000 0.540 828 Q CB -1.653 26.533 28.738 -0.919 0.000 0.156 828 Q HN 0.534 nan 8.270 nan 0.000 0.899 829 W N -0.020 120.908 121.300 -0.620 0.000 3.096 829 W HA 0.083 4.754 4.660 0.019 0.000 0.241 829 W C 1.435 177.744 176.519 -0.351 0.000 1.316 829 W CA -0.138 56.825 57.345 -0.637 0.000 1.520 829 W CB 0.012 28.853 29.460 -1.031 0.000 1.128 829 W HN 0.325 nan 8.180 nan 0.000 0.707 830 W N -0.120 121.123 121.300 -0.096 0.000 4.332 830 W HA 0.091 4.762 4.660 0.019 0.000 0.205 830 W C 2.430 179.062 176.519 0.189 0.000 0.907 830 W CA 0.223 57.726 57.345 0.264 0.000 2.184 830 W CB -0.652 29.105 29.460 0.495 0.000 0.933 830 W HN -0.430 nan 8.180 nan 0.000 0.867 831 K N 0.632 121.290 120.400 0.431 0.000 2.117 831 K HA -0.248 4.083 4.320 0.019 0.000 0.215 831 K C 0.872 177.549 176.600 0.129 0.000 1.053 831 K CA 1.856 58.294 56.287 0.252 0.000 0.935 831 K CB -0.694 31.871 32.500 0.108 0.000 0.719 831 K HN 0.158 nan 8.250 nan 0.000 0.460 832 L N 1.316 122.594 121.223 0.092 0.000 2.843 832 L HA 0.190 4.541 4.340 0.019 0.000 0.234 832 L C -1.283 175.637 176.870 0.083 0.000 1.264 832 L CA -0.543 54.336 54.840 0.065 0.000 1.052 832 L CB 0.527 42.617 42.059 0.052 0.000 1.372 832 L HN 0.220 nan 8.230 nan 0.000 0.466 833 Y N 2.268 122.487 120.300 -0.135 0.000 2.721 833 Y HA 0.477 5.039 4.550 0.019 0.000 0.328 833 Y C 0.622 176.394 175.900 -0.215 0.000 1.003 833 Y CA -0.583 57.392 58.100 -0.208 0.000 1.275 833 Y CB 0.699 38.914 38.460 -0.409 0.000 1.097 833 Y HN 0.481 nan 8.280 nan 0.000 0.514 834 A N 4.453 127.398 122.820 0.208 0.000 2.971 834 A HA -0.255 4.076 4.320 0.019 0.000 0.283 834 A C 1.095 178.682 177.584 0.004 0.000 1.410 834 A CA 0.819 52.904 52.037 0.080 0.000 0.735 834 A CB -1.999 17.012 19.000 0.019 0.000 1.056 834 A HN 0.977 nan 8.150 nan 0.000 0.465 835 K N -0.462 119.946 120.400 0.014 0.000 2.286 835 K HA 0.101 4.433 4.320 0.019 0.000 0.203 835 K C 0.638 177.236 176.600 -0.003 0.000 1.045 835 K CA 2.016 58.305 56.287 0.004 0.000 0.935 835 K CB -0.005 32.501 32.500 0.010 0.000 0.737 835 K HN 1.725 nan 8.250 nan 0.000 0.460 836 V N 0.584 120.499 119.914 0.001 0.000 2.697 836 V HA 0.268 4.399 4.120 0.019 0.000 0.296 836 V C -1.931 174.165 176.094 0.004 0.000 1.140 836 V CA -1.082 61.216 62.300 -0.003 0.000 0.921 836 V CB 1.554 33.377 31.823 -0.000 0.000 1.036 836 V HN -0.037 nan 8.190 nan 0.000 0.438 837 K N 7.573 127.971 120.400 -0.003 0.000 2.228 837 K HA 0.523 4.854 4.320 0.019 0.000 0.284 837 K C -1.855 174.750 176.600 0.007 0.000 1.088 837 K CA -1.257 55.036 56.287 0.011 0.000 0.941 837 K CB -0.167 32.328 32.500 -0.008 0.000 1.158 837 K HN 0.709 nan 8.250 nan 0.000 0.438 838 P HA 0.000 nan 4.420 nan 0.000 0.216 838 P CA 0.000 63.102 63.100 0.003 0.000 0.800 838 P CB 0.000 31.701 31.700 0.002 0.000 0.726