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 2obd_1_A DATA FIRST_RESID 5 DATA SEQUENCE TSHEAGIVCR ITKPALLVLN HETAKVIQTA FQRASYPDIT GEKAMMLLGQ DATA SEQUENCE VKYGLHNIQI SHLSIASSQV ELVEAKSIDV SIQDVSVVFK GTLKYGYTTA DATA SEQUENCE WWLGIDQSID FEIDSAIDLQ INTQLTADSG RVRTDAPDcY LSFHKLLLHL DATA SEQUENCE QGEREPGWIK QLFTNFISFT LKLVLKGQIc KEINVISNIM ADFVQTRAAS DATA SEQUENCE ILSDGDIGVD ISLTGDPVIT ASYLESHHKG HFIYKDVSED LPLPTFSPTL DATA SEQUENCE LGDSRMLYFW FSERVFHSLA KVAFQDGRLM LSLMGDEFKA VLETWGFNTN DATA SEQUENCE QEIFQEVVGG FPSQAQVTVH CLKMPKISCQ NKGVVVDSSV MVKFLFPRPD DATA SEQUENCE QQHSVAYTFE EDIVTTVQAS YSKKKLFLSL LDFQITPKTV SNLTESSSES DATA SEQUENCE IQSFLQSMIT AVGIPEVMSR LEVVFTALMN SKGVSLFDII NPEIITRDGF DATA SEQUENCE LLLQMDFGFP EHLLVDFLQS LS 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.546 174.700 -0.256 0.000 1.109 5 T CA 0.000 61.996 62.100 -0.174 0.000 1.349 5 T CB 0.000 68.730 68.868 -0.229 0.000 0.612 6 S N -0.150 115.278 115.700 -0.454 0.000 2.543 6 S HA 0.605 5.078 4.470 0.005 0.000 0.274 6 S C -2.292 171.911 174.600 -0.661 0.000 1.149 6 S CA -0.681 57.266 58.200 -0.421 0.000 0.866 6 S CB 0.886 63.936 63.200 -0.251 0.000 1.111 6 S HN 0.680 nan 8.310 nan 0.000 0.457 7 H N 1.609 120.583 119.070 -0.160 0.000 2.768 7 H HA 0.373 4.932 4.556 0.005 0.000 0.371 7 H C -0.926 174.329 175.328 -0.121 0.000 1.151 7 H CA -0.713 55.203 56.048 -0.219 0.000 1.165 7 H CB 1.597 31.018 29.762 -0.567 0.000 1.722 7 H HN 0.586 nan 8.280 nan 0.000 0.543 8 E N 1.335 121.546 120.200 0.018 0.000 2.152 8 E HA 0.554 4.907 4.350 0.005 0.000 0.285 8 E C -0.787 175.848 176.600 0.059 0.000 1.043 8 E CA -0.546 55.886 56.400 0.054 0.000 0.839 8 E CB 1.201 30.931 29.700 0.050 0.000 1.069 8 E HN 0.592 nan 8.360 nan 0.000 0.399 9 A N 1.872 124.760 122.820 0.114 0.000 2.589 9 A HA 0.586 4.909 4.320 0.005 0.000 0.296 9 A C 0.514 178.277 177.584 0.298 0.000 1.062 9 A CA -0.361 51.750 52.037 0.122 0.000 0.686 9 A CB 1.446 20.453 19.000 0.012 0.000 1.282 9 A HN 0.621 nan 8.150 nan 0.000 0.404 10 G N 0.130 109.062 108.800 0.220 0.000 2.510 10 G HA2 0.400 4.363 3.960 0.005 0.000 0.212 10 G HA3 0.400 4.363 3.960 0.005 0.000 0.212 10 G C 0.334 175.360 174.900 0.210 0.000 1.151 10 G CA 0.572 45.815 45.100 0.237 0.000 0.817 10 G HN 0.611 nan 8.290 nan 0.000 0.534 11 I N 0.639 121.289 120.570 0.132 0.000 2.533 11 I HA 0.438 4.611 4.170 0.005 0.000 0.290 11 I C -1.293 174.840 176.117 0.025 0.000 1.056 11 I CA -0.858 60.419 61.300 -0.038 0.000 1.057 11 I CB 2.916 40.792 38.000 -0.206 0.000 1.240 11 I HN -0.276 nan 8.210 nan 0.000 0.423 12 V N 4.828 124.715 119.914 -0.044 0.000 2.588 12 V HA 0.362 4.485 4.120 0.005 0.000 0.304 12 V C -0.835 175.171 176.094 -0.148 0.000 1.042 12 V CA -0.603 61.559 62.300 -0.229 0.000 0.877 12 V CB 2.156 33.488 31.823 -0.818 0.000 0.996 12 V HN 0.884 nan 8.190 nan 0.000 0.425 13 C N 6.651 125.856 119.300 -0.160 0.000 2.345 13 C HA 0.771 5.234 4.460 0.005 0.000 0.323 13 C C -0.151 174.680 174.990 -0.264 0.000 1.276 13 C CA -0.589 58.303 59.018 -0.209 0.000 1.543 13 C CB 0.525 28.234 27.740 -0.051 0.000 2.211 13 C HN 1.017 nan 8.230 nan 0.000 0.493 14 R N 5.960 126.292 120.500 -0.280 0.000 2.451 14 R HA 0.677 5.020 4.340 0.005 0.000 0.307 14 R C -1.514 174.737 176.300 -0.082 0.000 0.965 14 R CA -0.498 55.503 56.100 -0.165 0.000 0.865 14 R CB 0.798 30.975 30.300 -0.205 0.000 1.174 14 R HN 0.840 nan 8.270 nan 0.000 0.455 15 I N 4.596 125.159 120.570 -0.012 0.000 2.355 15 I HA 0.211 4.384 4.170 0.005 0.000 0.288 15 I C 0.639 176.833 176.117 0.129 0.000 0.999 15 I CA -0.586 60.737 61.300 0.039 0.000 1.163 15 I CB 1.994 40.003 38.000 0.015 0.000 1.316 15 I HN 0.677 nan 8.210 nan 0.000 0.454 16 T N 1.518 116.166 114.554 0.156 0.000 2.881 16 T HA 0.288 4.641 4.350 0.005 0.000 0.278 16 T C 1.028 175.799 174.700 0.119 0.000 0.982 16 T CA -0.682 61.529 62.100 0.186 0.000 0.989 16 T CB 1.881 70.879 68.868 0.217 0.000 1.058 16 T HN 0.486 nan 8.240 nan 0.000 0.529 17 K N 1.220 121.682 120.400 0.103 0.000 2.034 17 K HA -0.037 4.286 4.320 0.005 0.000 0.214 17 K C -0.885 175.736 176.600 0.036 0.000 1.051 17 K CA 1.737 58.057 56.287 0.054 0.000 0.931 17 K CB -1.661 30.864 32.500 0.043 0.000 0.715 17 K HN 0.465 nan 8.250 nan 0.000 0.446 18 P HA -0.205 nan 4.420 nan 0.000 0.217 18 P C 0.800 178.085 177.300 -0.024 0.000 1.151 18 P CA 2.086 65.191 63.100 0.010 0.000 0.849 18 P CB -0.183 31.529 31.700 0.019 0.000 0.787 19 A N -1.170 121.654 122.820 0.007 0.000 1.930 19 A HA -0.136 4.187 4.320 0.005 0.000 0.217 19 A C 2.020 179.617 177.584 0.021 0.000 1.175 19 A CA 1.263 53.303 52.037 0.006 0.000 0.627 19 A CB -1.430 17.689 19.000 0.197 0.000 0.815 19 A HN 0.053 nan 8.150 nan 0.000 0.443 20 L N -0.170 121.069 121.223 0.027 0.000 2.046 20 L HA -0.097 4.246 4.340 0.005 0.000 0.208 20 L C 2.485 179.334 176.870 -0.035 0.000 1.077 20 L CA 1.355 56.198 54.840 0.004 0.000 0.747 20 L CB -1.254 40.809 42.059 0.006 0.000 0.896 20 L HN 0.370 nan 8.230 nan 0.000 0.432 21 L N -0.854 120.344 121.223 -0.041 0.000 2.042 21 L HA -0.216 4.127 4.340 0.005 0.000 0.210 21 L C 2.540 179.359 176.870 -0.084 0.000 1.076 21 L CA 1.434 56.228 54.840 -0.077 0.000 0.749 21 L CB -0.764 41.266 42.059 -0.048 0.000 0.893 21 L HN 0.312 nan 8.230 nan 0.000 0.432 22 V N -2.069 117.834 119.914 -0.018 0.000 2.719 22 V HA -0.120 4.003 4.120 0.005 0.000 0.252 22 V C 2.100 178.233 176.094 0.065 0.000 1.065 22 V CA 1.050 63.419 62.300 0.115 0.000 1.086 22 V CB -0.223 31.580 31.823 -0.032 0.000 0.700 22 V HN 0.342 nan 8.190 nan 0.000 0.467 23 L N 1.003 122.196 121.223 -0.051 0.000 2.201 23 L HA -0.062 4.281 4.340 0.005 0.000 0.212 23 L C 2.574 179.400 176.870 -0.074 0.000 1.105 23 L CA 1.940 56.705 54.840 -0.125 0.000 0.775 23 L CB -0.770 41.223 42.059 -0.110 0.000 0.913 23 L HN 0.489 nan 8.230 nan 0.000 0.440 24 N N -0.414 118.234 118.700 -0.088 0.000 2.381 24 N HA -0.215 4.528 4.740 0.005 0.000 0.182 24 N C 1.849 177.298 175.510 -0.103 0.000 1.025 24 N CA 1.029 54.013 53.050 -0.110 0.000 0.888 24 N CB -0.065 38.327 38.487 -0.159 0.000 0.965 24 N HN 0.298 nan 8.380 nan 0.000 0.438 25 H N -0.075 118.996 119.070 0.003 0.000 2.518 25 H HA -0.017 4.542 4.556 0.005 0.000 0.292 25 H C 0.402 175.759 175.328 0.048 0.000 1.068 25 H CA 1.049 57.114 56.048 0.027 0.000 1.275 25 H CB 0.348 30.134 29.762 0.039 0.000 1.375 25 H HN 0.514 nan 8.280 nan 0.000 0.563 26 E N -0.525 119.758 120.200 0.139 0.000 2.583 26 E HA 0.069 4.422 4.350 0.005 0.000 0.213 26 E C 1.420 178.073 176.600 0.089 0.000 0.989 26 E CA -0.004 56.476 56.400 0.134 0.000 0.991 26 E CB 0.300 30.112 29.700 0.188 0.000 1.040 26 E HN 0.238 nan 8.360 nan 0.000 0.481 27 T N 1.608 116.194 114.554 0.053 0.000 2.737 27 T HA -0.203 4.150 4.350 0.005 0.000 0.269 27 T C 2.010 176.743 174.700 0.055 0.000 1.040 27 T CA 1.669 63.795 62.100 0.043 0.000 1.142 27 T CB -0.053 68.826 68.868 0.020 0.000 0.861 27 T HN 0.313 nan 8.240 nan 0.000 0.456 28 A N 1.705 124.555 122.820 0.050 0.000 1.933 28 A HA -0.120 4.203 4.320 0.005 0.000 0.218 28 A C 2.251 179.863 177.584 0.046 0.000 1.175 28 A CA 1.429 53.489 52.037 0.038 0.000 0.628 28 A CB -0.390 18.624 19.000 0.023 0.000 0.814 28 A HN 0.483 nan 8.150 nan 0.000 0.444 29 K N -0.334 120.105 120.400 0.065 0.000 2.103 29 K HA -0.091 4.232 4.320 0.005 0.000 0.207 29 K C 1.853 178.502 176.600 0.082 0.000 1.048 29 K CA 1.485 57.815 56.287 0.072 0.000 0.930 29 K CB -0.402 32.156 32.500 0.098 0.000 0.716 29 K HN 0.350 nan 8.250 nan 0.000 0.444 30 V N 1.887 121.857 119.914 0.092 0.000 2.307 30 V HA -0.217 3.906 4.120 0.005 0.000 0.245 30 V C 2.251 178.409 176.094 0.107 0.000 1.045 30 V CA 1.306 63.665 62.300 0.098 0.000 1.024 30 V CB -0.377 31.502 31.823 0.094 0.000 0.651 30 V HN 0.240 nan 8.190 nan 0.000 0.449 31 I N -0.018 120.622 120.570 0.116 0.000 2.286 31 I HA -0.259 3.914 4.170 0.005 0.000 0.248 31 I C 2.504 178.769 176.117 0.247 0.000 1.115 31 I CA 1.601 63.013 61.300 0.185 0.000 1.392 31 I CB -1.217 36.880 38.000 0.162 0.000 1.065 31 I HN 0.447 nan 8.210 nan 0.000 0.418 32 Q N 0.710 120.584 119.800 0.123 0.000 2.002 32 Q HA -0.210 4.133 4.340 0.005 0.000 0.204 32 Q C 2.182 178.265 176.000 0.139 0.000 0.988 32 Q CA 2.973 58.829 55.803 0.088 0.000 0.843 32 Q CB -0.031 28.717 28.738 0.017 0.000 0.908 32 Q HN 0.441 nan 8.270 nan 0.000 0.420 33 T N 0.629 115.244 114.554 0.102 0.000 2.685 33 T HA -0.260 4.093 4.350 0.005 0.000 0.268 33 T C 1.722 176.479 174.700 0.096 0.000 1.034 33 T CA 1.394 63.541 62.100 0.078 0.000 1.149 33 T CB -0.498 68.399 68.868 0.048 0.000 0.860 33 T HN 0.490 nan 8.240 nan 0.000 0.449 34 A N 0.686 123.581 122.820 0.125 0.000 1.873 34 A HA 0.034 4.357 4.320 0.005 0.000 0.215 34 A C 2.003 179.628 177.584 0.068 0.000 1.186 34 A CA 1.224 53.305 52.037 0.073 0.000 0.616 34 A CB -0.973 18.062 19.000 0.058 0.000 0.823 34 A HN 0.452 nan 8.150 nan 0.000 0.442 35 F N 0.187 120.187 119.950 0.084 0.000 2.171 35 F HA -0.182 4.348 4.527 0.005 0.000 0.300 35 F C 2.741 178.649 175.800 0.180 0.000 1.090 35 F CA 1.948 60.047 58.000 0.166 0.000 1.293 35 F CB -0.334 38.737 39.000 0.118 0.000 1.013 35 F HN 0.288 nan 8.300 nan 0.000 0.486 36 Q N -0.541 119.425 119.800 0.276 0.000 2.224 36 Q HA -0.115 4.228 4.340 0.005 0.000 0.203 36 Q C 2.043 178.105 176.000 0.102 0.000 0.970 36 Q CA 0.991 56.901 55.803 0.178 0.000 0.865 36 Q CB -0.109 28.693 28.738 0.106 0.000 0.922 36 Q HN 0.399 nan 8.270 nan 0.000 0.445 37 R N 0.036 120.568 120.500 0.053 0.000 2.246 37 R HA 0.199 4.542 4.340 0.005 0.000 0.199 37 R C 0.409 176.657 176.300 -0.086 0.000 0.984 37 R CA 0.108 56.200 56.100 -0.014 0.000 1.015 37 R CB 0.293 30.578 30.300 -0.024 0.000 0.930 37 R HN 0.028 nan 8.270 nan 0.000 0.475 38 A N 1.107 123.845 122.820 -0.137 0.000 2.462 38 A HA 0.216 4.540 4.320 0.005 0.000 0.243 38 A C -0.051 177.179 177.584 -0.590 0.000 1.076 38 A CA 0.059 51.883 52.037 -0.356 0.000 0.773 38 A CB 0.578 19.330 19.000 -0.413 0.000 1.010 38 A HN 0.086 nan 8.150 nan 0.000 0.493 39 S N 0.645 116.032 115.700 -0.521 0.000 2.499 39 S HA 0.504 4.977 4.470 0.005 0.000 0.279 39 S C -1.207 173.037 174.600 -0.594 0.000 1.219 39 S CA 0.040 57.981 58.200 -0.431 0.000 1.062 39 S CB 0.120 63.205 63.200 -0.192 0.000 0.978 39 S HN 0.469 nan 8.310 nan 0.000 0.489 40 Y N 2.980 123.313 120.300 0.054 0.000 2.464 40 Y HA 0.376 4.929 4.550 0.005 0.000 0.326 40 Y C -2.171 173.746 175.900 0.029 0.000 0.969 40 Y CA -2.439 55.679 58.100 0.030 0.000 1.270 40 Y CB 0.252 38.734 38.460 0.037 0.000 1.103 40 Y HN 0.458 nan 8.280 nan 0.000 0.491 41 P HA 0.103 nan 4.420 nan 0.000 0.274 41 P C -0.598 176.752 177.300 0.084 0.000 1.231 41 P CA -0.513 62.632 63.100 0.074 0.000 0.790 41 P CB 0.872 32.590 31.700 0.030 0.000 0.951 42 D N 1.025 121.476 120.400 0.085 0.000 2.583 42 D HA 0.007 4.650 4.640 0.005 0.000 0.232 42 D C 0.145 176.450 176.300 0.009 0.000 1.128 42 D CA 0.773 54.803 54.000 0.051 0.000 0.859 42 D CB -0.063 40.790 40.800 0.087 0.000 1.169 42 D HN 0.221 nan 8.370 nan 0.000 0.481 43 I N 2.127 122.691 120.570 -0.011 0.000 2.312 43 I HA 0.220 4.393 4.170 0.005 0.000 0.290 43 I C 0.771 176.894 176.117 0.010 0.000 1.008 43 I CA -0.331 60.985 61.300 0.026 0.000 1.226 43 I CB 1.042 39.085 38.000 0.073 0.000 1.371 43 I HN 0.271 nan 8.210 nan 0.000 0.468 44 T N 1.964 116.503 114.554 -0.025 0.000 2.887 44 T HA 0.979 5.332 4.350 0.005 0.000 0.292 44 T C -0.274 174.223 174.700 -0.338 0.000 1.087 44 T CA -0.710 61.281 62.100 -0.182 0.000 1.009 44 T CB 2.378 71.176 68.868 -0.117 0.000 1.203 44 T HN 0.904 nan 8.240 nan 0.000 0.518 45 G N -0.246 108.104 108.800 -0.750 0.000 2.315 45 G HA2 0.471 4.434 3.960 0.005 0.000 0.294 45 G HA3 0.471 4.434 3.960 0.005 0.000 0.294 45 G C -2.045 172.385 174.900 -0.784 0.000 1.300 45 G CA -0.641 44.056 45.100 -0.673 0.000 0.843 45 G HN 0.944 nan 8.290 nan 0.000 0.527 46 E N -0.063 119.908 120.200 -0.381 0.000 2.378 46 E HA 0.517 4.870 4.350 0.005 0.000 0.282 46 E C -1.137 175.395 176.600 -0.114 0.000 0.910 46 E CA -0.599 55.675 56.400 -0.210 0.000 0.816 46 E CB 1.325 30.931 29.700 -0.156 0.000 1.359 46 E HN 0.515 nan 8.360 nan 0.000 0.397 47 K N 2.209 122.580 120.400 -0.050 0.000 2.318 47 K HA 0.698 5.021 4.320 0.005 0.000 0.249 47 K C -1.034 175.492 176.600 -0.123 0.000 0.942 47 K CA -0.758 55.468 56.287 -0.102 0.000 0.808 47 K CB 1.761 34.185 32.500 -0.128 0.000 1.189 47 K HN 0.479 nan 8.250 nan 0.000 0.428 48 A N 4.946 127.700 122.820 -0.111 0.000 2.491 48 A HA 0.282 4.605 4.320 0.005 0.000 0.261 48 A C -0.241 177.279 177.584 -0.106 0.000 1.101 48 A CA 0.007 51.985 52.037 -0.098 0.000 0.772 48 A CB -0.068 18.893 19.000 -0.064 0.000 1.043 48 A HN 0.561 nan 8.150 nan 0.000 0.501 49 M N 2.541 122.065 119.600 -0.126 0.000 2.472 49 M HA 0.366 4.849 4.480 0.005 0.000 0.331 49 M C -0.090 176.188 176.300 -0.037 0.000 1.170 49 M CA -0.965 54.280 55.300 -0.092 0.000 1.009 49 M CB 1.064 33.563 32.600 -0.168 0.000 1.672 49 M HN 0.757 nan 8.290 nan 0.000 0.453 50 M N 2.925 122.528 119.600 0.005 0.000 2.284 50 M HA 0.052 4.535 4.480 0.005 0.000 0.351 50 M C 0.532 176.848 176.300 0.026 0.000 1.443 50 M CA 0.975 56.286 55.300 0.018 0.000 1.031 50 M CB -0.310 32.309 32.600 0.032 0.000 1.893 50 M HN 0.691 nan 8.290 nan 0.000 0.456 51 L N 2.394 123.629 121.223 0.020 0.000 5.051 51 L HA -0.318 4.025 4.340 0.005 0.000 0.432 51 L C 0.413 177.295 176.870 0.020 0.000 1.055 51 L CA 0.009 54.866 54.840 0.028 0.000 1.095 51 L CB -1.502 40.578 42.059 0.034 0.000 1.957 51 L HN 0.634 nan 8.230 nan 0.000 0.727 52 L N -0.761 120.459 121.223 -0.006 0.000 2.858 52 L HA 0.456 4.799 4.340 0.005 0.000 0.251 52 L C 1.507 178.331 176.870 -0.077 0.000 1.149 52 L CA 1.574 56.386 54.840 -0.047 0.000 0.955 52 L CB -0.014 42.028 42.059 -0.028 0.000 1.289 52 L HN 0.472 nan 8.230 nan 0.000 0.542 53 G N 0.480 109.248 108.800 -0.055 0.000 2.645 53 G HA2 -0.247 3.716 3.960 0.005 0.000 0.246 53 G HA3 -0.247 3.716 3.960 0.005 0.000 0.246 53 G C -0.165 174.677 174.900 -0.098 0.000 1.322 53 G CA -0.596 44.468 45.100 -0.060 0.000 0.898 53 G HN 0.166 nan 8.290 nan 0.000 0.573 54 Q N -0.427 119.322 119.800 -0.085 0.000 2.289 54 Q HA 0.441 4.784 4.340 0.005 0.000 0.273 54 Q C 0.267 176.173 176.000 -0.158 0.000 1.029 54 Q CA 0.121 55.861 55.803 -0.106 0.000 0.896 54 Q CB 1.224 29.921 28.738 -0.069 0.000 1.182 54 Q HN 0.681 nan 8.270 nan 0.000 0.385 55 V N 3.509 123.280 119.914 -0.238 0.000 2.487 55 V HA 0.309 4.432 4.120 0.005 0.000 0.298 55 V C 0.003 175.974 176.094 -0.207 0.000 1.028 55 V CA -0.860 61.215 62.300 -0.375 0.000 0.860 55 V CB 1.934 33.245 31.823 -0.854 0.000 0.991 55 V HN 0.589 nan 8.190 nan 0.000 0.427 56 K N 5.242 125.554 120.400 -0.148 0.000 2.211 56 K HA 0.599 4.922 4.320 0.005 0.000 0.275 56 K C -1.221 175.403 176.600 0.040 0.000 1.024 56 K CA -0.431 55.799 56.287 -0.095 0.000 0.887 56 K CB 0.946 33.400 32.500 -0.077 0.000 1.084 56 K HN 0.715 nan 8.250 nan 0.000 0.463 57 Y N -0.064 120.247 120.300 0.019 0.000 2.581 57 Y HA 0.800 5.353 4.550 0.005 0.000 0.345 57 Y C -0.500 175.475 175.900 0.125 0.000 1.036 57 Y CA -1.301 56.886 58.100 0.144 0.000 1.042 57 Y CB 1.849 40.411 38.460 0.170 0.000 1.289 57 Y HN 0.574 nan 8.280 nan 0.000 0.471 58 G N 2.377 111.369 108.800 0.320 0.000 2.760 58 G HA2 0.509 4.472 3.960 0.005 0.000 0.296 58 G HA3 0.509 4.472 3.960 0.005 0.000 0.296 58 G C -2.076 172.798 174.900 -0.042 0.000 1.427 58 G CA -1.103 43.994 45.100 -0.005 0.000 1.109 58 G HN 0.729 nan 8.290 nan 0.000 0.553 59 L N 2.250 123.431 121.223 -0.069 0.000 2.264 59 L HA 0.521 4.864 4.340 0.005 0.000 0.289 59 L C -0.288 176.568 176.870 -0.023 0.000 1.044 59 L CA -0.610 54.298 54.840 0.113 0.000 0.807 59 L CB 1.041 43.162 42.059 0.104 0.000 1.192 59 L HN 0.570 nan 8.230 nan 0.000 0.425 60 H N 1.973 121.245 119.070 0.336 0.000 2.679 60 H HA 0.248 4.807 4.556 0.005 0.000 0.367 60 H C 0.276 175.688 175.328 0.141 0.000 1.162 60 H CA -0.631 55.534 56.048 0.196 0.000 1.181 60 H CB 1.323 31.171 29.762 0.143 0.000 1.693 60 H HN 0.617 nan 8.280 nan 0.000 0.538 61 N N 1.244 120.095 118.700 0.251 0.000 2.725 61 N HA -0.191 4.552 4.740 0.005 0.000 0.251 61 N C -1.173 174.419 175.510 0.137 0.000 1.031 61 N CA 0.229 53.374 53.050 0.158 0.000 0.720 61 N CB -1.119 37.429 38.487 0.103 0.000 0.930 61 N HN 0.573 nan 8.380 nan 0.000 0.543 62 I N 0.553 121.238 120.570 0.191 0.000 2.587 62 I HA -0.001 4.172 4.170 0.005 0.000 0.284 62 I C 0.848 177.130 176.117 0.275 0.000 1.134 62 I CA 0.416 61.839 61.300 0.205 0.000 1.410 62 I CB 0.566 38.677 38.000 0.184 0.000 1.392 62 I HN 0.291 nan 8.210 nan 0.000 0.545 63 Q N 5.527 125.480 119.800 0.255 0.000 2.372 63 Q HA 0.545 4.888 4.340 0.005 0.000 0.273 63 Q C -0.802 175.342 176.000 0.241 0.000 1.078 63 Q CA -0.586 55.370 55.803 0.255 0.000 0.806 63 Q CB 2.473 31.293 28.738 0.138 0.000 1.332 63 Q HN 0.497 nan 8.270 nan 0.000 0.435 64 I N 1.591 122.267 120.570 0.177 0.000 2.556 64 I HA 0.036 4.209 4.170 0.005 0.000 0.284 64 I C 0.755 176.845 176.117 -0.046 0.000 1.114 64 I CA 0.380 61.630 61.300 -0.084 0.000 1.418 64 I CB 1.272 39.215 38.000 -0.094 0.000 1.394 64 I HN 0.733 nan 8.210 nan 0.000 0.552 65 S N 5.333 120.979 115.700 -0.091 0.000 2.527 65 S HA 0.044 4.517 4.470 0.005 0.000 0.227 65 S C 0.280 174.893 174.600 0.021 0.000 1.059 65 S CA 0.151 58.342 58.200 -0.015 0.000 0.919 65 S CB 0.284 63.489 63.200 0.007 0.000 0.805 65 S HN 0.761 nan 8.310 nan 0.000 0.500 66 H N -0.067 118.915 119.070 -0.146 0.000 2.996 66 H HA 0.594 5.153 4.556 0.005 0.000 0.368 66 H C -2.106 173.102 175.328 -0.200 0.000 1.185 66 H CA -0.643 55.327 56.048 -0.131 0.000 1.160 66 H CB 1.457 31.162 29.762 -0.095 0.000 1.820 66 H HN 0.336 nan 8.280 nan 0.000 0.547 67 L N 3.952 124.641 121.223 -0.889 0.000 2.562 67 L HA 0.342 4.685 4.340 0.005 0.000 0.266 67 L C -1.078 175.367 176.870 -0.709 0.000 0.949 67 L CA -0.295 54.119 54.840 -0.709 0.000 0.879 67 L CB 1.809 43.575 42.059 -0.489 0.000 1.278 67 L HN 0.809 nan 8.230 nan 0.000 0.404 68 S N 4.198 119.604 115.700 -0.490 0.000 2.667 68 S HA 0.841 5.314 4.470 0.005 0.000 0.292 68 S C -0.925 173.584 174.600 -0.152 0.000 1.126 68 S CA -0.753 57.304 58.200 -0.238 0.000 0.881 68 S CB 2.522 65.676 63.200 -0.078 0.000 1.132 68 S HN 0.445 nan 8.310 nan 0.000 0.492 69 I N 0.781 121.300 120.570 -0.085 0.000 2.619 69 I HA 0.568 4.741 4.170 0.005 0.000 0.292 69 I C 0.799 176.906 176.117 -0.017 0.000 1.100 69 I CA -0.886 60.383 61.300 -0.053 0.000 1.043 69 I CB 2.223 40.195 38.000 -0.047 0.000 1.239 69 I HN 0.903 nan 8.210 nan 0.000 0.420 70 A N 3.831 126.648 122.820 -0.005 0.000 1.874 70 A HA 0.285 4.608 4.320 0.005 0.000 0.214 70 A C 0.693 178.282 177.584 0.008 0.000 1.189 70 A CA 1.388 53.428 52.037 0.005 0.000 0.615 70 A CB -0.093 18.911 19.000 0.006 0.000 0.830 70 A HN 0.809 nan 8.150 nan 0.000 0.443 71 S N -2.362 113.343 115.700 0.008 0.000 2.611 71 S HA 0.549 5.022 4.470 0.005 0.000 0.270 71 S C -0.885 173.717 174.600 0.004 0.000 1.131 71 S CA -0.086 58.117 58.200 0.006 0.000 0.826 71 S CB 0.964 64.167 63.200 0.005 0.000 1.095 71 S HN 1.247 nan 8.310 nan 0.000 0.461 72 S N 0.187 115.882 115.700 -0.008 0.000 2.548 72 S HA 0.799 5.272 4.470 0.005 0.000 0.276 72 S C -1.490 173.092 174.600 -0.030 0.000 1.129 72 S CA -0.828 57.365 58.200 -0.011 0.000 0.931 72 S CB 1.611 64.807 63.200 -0.007 0.000 1.068 72 S HN 0.741 nan 8.310 nan 0.000 0.480 73 Q N 0.642 120.430 119.800 -0.021 0.000 2.348 73 Q HA 0.813 5.157 4.340 0.005 0.000 0.271 73 Q C -1.218 174.768 176.000 -0.024 0.000 1.067 73 Q CA -0.884 54.902 55.803 -0.029 0.000 0.839 73 Q CB 2.286 31.014 28.738 -0.018 0.000 1.354 73 Q HN 0.683 nan 8.270 nan 0.000 0.447 74 V N 0.894 120.790 119.914 -0.030 0.000 2.656 74 V HA 0.743 4.866 4.120 0.005 0.000 0.307 74 V C -1.642 174.441 176.094 -0.017 0.000 1.051 74 V CA -0.404 61.883 62.300 -0.021 0.000 0.893 74 V CB 1.904 33.710 31.823 -0.028 0.000 0.999 74 V HN 0.882 nan 8.190 nan 0.000 0.426 75 E N 5.535 125.728 120.200 -0.011 0.000 2.331 75 E HA 0.581 4.934 4.350 0.005 0.000 0.275 75 E C -2.032 174.559 176.600 -0.014 0.000 0.895 75 E CA -0.788 55.604 56.400 -0.013 0.000 0.753 75 E CB 2.100 31.793 29.700 -0.011 0.000 1.216 75 E HN 0.700 nan 8.360 nan 0.000 0.434 76 L N 3.371 124.580 121.223 -0.023 0.000 2.289 76 L HA 0.516 4.859 4.340 0.005 0.000 0.285 76 L C -0.753 176.093 176.870 -0.040 0.000 1.049 76 L CA -1.226 53.593 54.840 -0.035 0.000 0.804 76 L CB 1.619 43.647 42.059 -0.052 0.000 1.195 76 L HN 0.440 nan 8.230 nan 0.000 0.428 77 V N 2.508 122.401 119.914 -0.036 0.000 2.347 77 V HA 0.138 4.261 4.120 0.005 0.000 0.280 77 V C 0.219 176.284 176.094 -0.048 0.000 1.021 77 V CA -0.755 61.525 62.300 -0.034 0.000 0.847 77 V CB 1.438 33.252 31.823 -0.016 0.000 0.990 77 V HN 0.721 nan 8.190 nan 0.000 0.444 78 E N 4.772 124.937 120.200 -0.059 0.000 2.694 78 E HA 0.226 4.579 4.350 0.005 0.000 0.250 78 E C 1.045 177.612 176.600 -0.055 0.000 0.963 78 E CA 1.031 57.386 56.400 -0.075 0.000 0.949 78 E CB 0.245 29.904 29.700 -0.068 0.000 0.911 78 E HN 1.180 nan 8.360 nan 0.000 0.500 79 A N 3.701 126.484 122.820 -0.060 0.000 2.861 79 A HA -0.341 3.982 4.320 0.005 0.000 0.261 79 A C 0.819 178.387 177.584 -0.025 0.000 1.351 79 A CA 2.156 54.172 52.037 -0.036 0.000 0.904 79 A CB -1.788 17.197 19.000 -0.025 0.000 1.076 79 A HN 0.741 nan 8.150 nan 0.000 0.729 80 K N -1.841 118.543 120.400 -0.028 0.000 2.638 80 K HA 0.365 4.688 4.320 0.005 0.000 0.207 80 K C 0.379 176.971 176.600 -0.014 0.000 1.429 80 K CA 0.901 57.178 56.287 -0.015 0.000 0.957 80 K CB 0.789 33.284 32.500 -0.008 0.000 1.733 80 K HN 1.083 nan 8.250 nan 0.000 0.474 81 S N -0.237 115.454 115.700 -0.016 0.000 2.595 81 S HA 0.454 4.927 4.470 0.005 0.000 0.270 81 S C -1.233 173.360 174.600 -0.012 0.000 1.145 81 S CA -0.991 57.203 58.200 -0.009 0.000 0.825 81 S CB 0.949 64.152 63.200 0.006 0.000 1.107 81 S HN 0.115 nan 8.310 nan 0.000 0.461 82 I N 1.773 122.338 120.570 -0.007 0.000 2.312 82 I HA 0.375 4.548 4.170 0.005 0.000 0.291 82 I C -0.942 175.180 176.117 0.008 0.000 1.031 82 I CA -0.211 61.087 61.300 -0.005 0.000 1.293 82 I CB 0.603 38.601 38.000 -0.004 0.000 1.403 82 I HN 0.475 nan 8.210 nan 0.000 0.484 83 D N 6.279 126.685 120.400 0.010 0.000 2.392 83 D HA 0.303 4.946 4.640 0.005 0.000 0.228 83 D C -0.562 175.750 176.300 0.021 0.000 1.074 83 D CA -0.109 53.906 54.000 0.025 0.000 0.838 83 D CB 2.011 42.827 40.800 0.026 0.000 1.067 83 D HN 0.235 nan 8.370 nan 0.000 0.511 84 V N 1.157 121.089 119.914 0.029 0.000 2.417 84 V HA 0.638 4.761 4.120 0.005 0.000 0.291 84 V C -0.502 175.613 176.094 0.035 0.000 1.024 84 V CA -0.345 61.969 62.300 0.023 0.000 0.861 84 V CB 1.607 33.439 31.823 0.015 0.000 0.985 84 V HN 0.370 nan 8.190 nan 0.000 0.436 85 S N 7.318 123.033 115.700 0.025 0.000 2.462 85 S HA 0.742 5.215 4.470 0.005 0.000 0.294 85 S C -0.420 174.195 174.600 0.025 0.000 1.144 85 S CA -0.358 57.859 58.200 0.028 0.000 1.088 85 S CB 1.113 64.323 63.200 0.016 0.000 1.009 85 S HN 0.734 nan 8.310 nan 0.000 0.484 86 I N 2.898 123.489 120.570 0.034 0.000 2.418 86 I HA 0.322 4.495 4.170 0.005 0.000 0.287 86 I C -0.610 175.528 176.117 0.035 0.000 1.008 86 I CA -0.611 60.708 61.300 0.032 0.000 1.104 86 I CB 1.789 39.815 38.000 0.043 0.000 1.264 86 I HN 0.425 nan 8.210 nan 0.000 0.438 87 Q N 4.571 124.391 119.800 0.034 0.000 2.271 87 Q HA 0.379 4.722 4.340 0.005 0.000 0.258 87 Q C -0.912 175.117 176.000 0.048 0.000 0.936 87 Q CA -0.418 55.416 55.803 0.051 0.000 0.909 87 Q CB 0.998 29.762 28.738 0.044 0.000 1.253 87 Q HN 0.409 nan 8.270 nan 0.000 0.440 88 D N 0.351 120.802 120.400 0.085 0.000 2.746 88 D HA -0.150 4.493 4.640 0.005 0.000 0.241 88 D C -0.758 175.556 176.300 0.024 0.000 1.140 88 D CA 0.445 54.489 54.000 0.073 0.000 0.707 88 D CB -1.101 39.715 40.800 0.027 0.000 1.034 88 D HN 0.366 nan 8.370 nan 0.000 0.423 89 V N 0.407 120.323 119.914 0.002 0.000 2.415 89 V HA 0.398 4.521 4.120 0.005 0.000 0.267 89 V C 0.537 176.596 176.094 -0.058 0.000 1.042 89 V CA 0.305 62.559 62.300 -0.077 0.000 1.000 89 V CB 1.220 32.955 31.823 -0.147 0.000 1.015 89 V HN 0.374 nan 8.190 nan 0.000 0.478 90 S N 6.714 122.382 115.700 -0.052 0.000 2.422 90 S HA 0.716 5.189 4.470 0.005 0.000 0.298 90 S C -0.626 173.938 174.600 -0.060 0.000 1.118 90 S CA -0.655 57.548 58.200 0.006 0.000 1.083 90 S CB 1.190 64.434 63.200 0.073 0.000 0.971 90 S HN 1.056 nan 8.310 nan 0.000 0.478 91 V N 3.885 123.752 119.914 -0.078 0.000 2.459 91 V HA 0.530 4.653 4.120 0.005 0.000 0.295 91 V C -0.294 175.717 176.094 -0.138 0.000 1.029 91 V CA -0.873 61.282 62.300 -0.243 0.000 0.874 91 V CB 1.497 33.063 31.823 -0.428 0.000 0.985 91 V HN 0.809 nan 8.190 nan 0.000 0.438 92 V N 4.885 124.714 119.914 -0.142 0.000 2.370 92 V HA 0.518 4.641 4.120 0.005 0.000 0.283 92 V C -0.504 175.465 176.094 -0.208 0.000 1.023 92 V CA -0.370 61.902 62.300 -0.047 0.000 0.857 92 V CB 1.014 32.859 31.823 0.037 0.000 0.985 92 V HN 0.652 nan 8.190 nan 0.000 0.443 93 F N 3.841 123.823 119.950 0.054 0.000 2.397 93 F HA 0.631 5.161 4.527 0.005 0.000 0.331 93 F C 0.564 176.381 175.800 0.028 0.000 1.090 93 F CA -0.625 57.392 58.000 0.028 0.000 1.065 93 F CB 1.489 40.506 39.000 0.029 0.000 1.184 93 F HN 0.448 nan 8.300 nan 0.000 0.499 94 K N 1.058 121.546 120.400 0.146 0.000 2.267 94 K HA 0.962 5.285 4.320 0.005 0.000 0.246 94 K C -0.611 175.817 176.600 -0.285 0.000 0.954 94 K CA -0.927 55.313 56.287 -0.077 0.000 0.824 94 K CB 2.387 34.844 32.500 -0.070 0.000 1.167 94 K HN 0.803 nan 8.250 nan 0.000 0.431 95 G N 0.140 108.387 108.800 -0.920 0.000 2.554 95 G HA2 0.433 4.396 3.960 0.005 0.000 0.306 95 G HA3 0.433 4.396 3.960 0.005 0.000 0.306 95 G C -1.621 172.638 174.900 -1.068 0.000 1.320 95 G CA -0.690 43.812 45.100 -0.997 0.000 0.800 95 G HN 0.452 nan 8.290 nan 0.000 0.481 96 T N 0.840 115.199 114.554 -0.326 0.000 2.847 96 T HA 0.462 4.815 4.350 0.005 0.000 0.291 96 T C -0.801 174.188 174.700 0.481 0.000 0.998 96 T CA -0.274 61.867 62.100 0.068 0.000 0.967 96 T CB 1.440 70.359 68.868 0.085 0.000 0.954 96 T HN 0.561 nan 8.240 nan 0.000 0.441 97 L N 4.459 126.039 121.223 0.596 0.000 2.313 97 L HA 0.490 4.833 4.340 0.005 0.000 0.282 97 L C -0.367 176.735 176.870 0.387 0.000 1.092 97 L CA 0.289 55.434 54.840 0.507 0.000 0.831 97 L CB 0.016 42.325 42.059 0.416 0.000 1.159 97 L HN 0.459 nan 8.230 nan 0.000 0.442 98 K N 6.138 126.787 120.400 0.416 0.000 2.376 98 K HA 0.544 4.867 4.320 0.005 0.000 0.257 98 K C -1.615 175.188 176.600 0.338 0.000 0.939 98 K CA -0.626 55.819 56.287 0.263 0.000 0.809 98 K CB 2.023 34.662 32.500 0.232 0.000 1.121 98 K HN 0.624 nan 8.250 nan 0.000 0.425 99 Y N -1.658 118.744 120.300 0.169 0.000 2.670 99 Y HA 0.795 5.348 4.550 0.005 0.000 0.334 99 Y C -0.634 175.244 175.900 -0.036 0.000 1.185 99 Y CA -1.358 56.800 58.100 0.096 0.000 1.053 99 Y CB 1.647 40.227 38.460 0.199 0.000 1.298 99 Y HN 0.577 nan 8.280 nan 0.000 0.459 100 G N -0.011 108.830 108.800 0.069 0.000 2.742 100 G HA2 0.443 4.406 3.960 0.005 0.000 0.296 100 G HA3 0.443 4.406 3.960 0.005 0.000 0.296 100 G C -2.566 172.224 174.900 -0.184 0.000 1.436 100 G CA -1.094 43.973 45.100 -0.054 0.000 0.928 100 G HN 0.612 nan 8.290 nan 0.000 0.520 101 Y N 2.142 122.457 120.300 0.026 0.000 2.585 101 Y HA 0.243 4.796 4.550 0.005 0.000 0.354 101 Y C 1.997 177.826 175.900 -0.118 0.000 1.024 101 Y CA 0.001 58.029 58.100 -0.119 0.000 1.321 101 Y CB 1.088 39.437 38.460 -0.185 0.000 1.151 101 Y HN 0.527 nan 8.280 nan 0.000 0.525 102 T N 0.061 114.604 114.554 -0.018 0.000 2.698 102 T HA -0.165 4.188 4.350 0.005 0.000 0.260 102 T C 1.978 176.688 174.700 0.016 0.000 1.044 102 T CA 2.127 64.224 62.100 -0.004 0.000 1.149 102 T CB -0.165 68.685 68.868 -0.031 0.000 0.864 102 T HN 0.770 nan 8.240 nan 0.000 0.419 103 T N 0.973 115.510 114.554 -0.028 0.000 2.896 103 T HA 0.245 4.598 4.350 0.005 0.000 0.263 103 T C 1.521 176.114 174.700 -0.179 0.000 1.050 103 T CA 0.624 62.722 62.100 -0.004 0.000 1.140 103 T CB -0.385 68.490 68.868 0.013 0.000 0.877 103 T HN 0.289 nan 8.240 nan 0.000 0.457 104 A N 3.161 125.680 122.820 -0.501 0.000 3.048 104 A HA 0.324 4.647 4.320 0.005 0.000 0.264 104 A C 1.353 178.296 177.584 -1.068 0.000 1.796 104 A CA -0.638 50.535 52.037 -1.440 0.000 1.445 104 A CB -1.444 16.794 19.000 -1.270 0.000 1.074 104 A HN 0.771 nan 8.150 nan 0.000 0.621 105 W N 0.170 121.184 121.300 -0.477 0.000 2.387 105 W HA -0.184 4.479 4.660 0.005 0.000 0.272 105 W C 1.005 177.505 176.519 -0.032 0.000 1.224 105 W CA 0.790 58.065 57.345 -0.117 0.000 1.210 105 W CB -1.022 28.473 29.460 0.059 0.000 1.125 105 W HN 0.885 nan 8.180 nan 0.000 0.572 106 W N 0.666 121.628 121.300 -0.564 0.000 3.180 106 W HA 0.294 4.957 4.660 0.005 0.000 0.254 106 W C 1.346 177.736 176.519 -0.214 0.000 1.318 106 W CA 0.116 57.164 57.345 -0.494 0.000 1.608 106 W CB -1.223 27.718 29.460 -0.865 0.000 1.124 106 W HN -0.238 nan 8.180 nan 0.000 0.694 107 L N 1.525 122.462 121.223 -0.477 0.000 2.592 107 L HA 0.418 4.761 4.340 0.005 0.000 0.227 107 L C 1.196 178.011 176.870 -0.091 0.000 1.127 107 L CA 0.652 55.287 54.840 -0.342 0.000 0.884 107 L CB -0.813 40.822 42.059 -0.707 0.000 1.065 107 L HN 0.283 nan 8.230 nan 0.000 0.457 108 G N 0.961 109.776 108.800 0.024 0.000 2.483 108 G HA2 -0.160 3.803 3.960 0.005 0.000 0.521 108 G HA3 -0.160 3.803 3.960 0.005 0.000 0.521 108 G C -0.368 174.616 174.900 0.140 0.000 1.278 108 G CA -0.352 44.811 45.100 0.104 0.000 0.965 108 G HN 0.182 nan 8.290 nan 0.000 0.504 109 I N -1.454 119.185 120.570 0.116 0.000 3.004 109 I HA 0.538 4.711 4.170 0.005 0.000 0.287 109 I C 0.127 176.288 176.117 0.073 0.000 1.144 109 I CA -0.653 60.700 61.300 0.088 0.000 1.353 109 I CB 0.303 38.337 38.000 0.057 0.000 1.417 109 I HN 0.424 nan 8.210 nan 0.000 0.602 110 D N 2.797 123.211 120.400 0.023 0.000 2.419 110 D HA 0.127 4.770 4.640 0.005 0.000 0.236 110 D C -0.155 176.060 176.300 -0.141 0.000 1.165 110 D CA 0.336 54.300 54.000 -0.059 0.000 0.882 110 D CB 0.451 41.222 40.800 -0.048 0.000 1.201 110 D HN 0.451 nan 8.370 nan 0.000 0.443 111 Q N 0.029 119.608 119.800 -0.368 0.000 2.399 111 Q HA 0.593 4.936 4.340 0.005 0.000 0.276 111 Q C -0.927 174.871 176.000 -0.338 0.000 1.098 111 Q CA -0.717 54.829 55.803 -0.429 0.000 0.827 111 Q CB 2.246 30.534 28.738 -0.750 0.000 1.386 111 Q HN 0.288 nan 8.270 nan 0.000 0.443 112 S N 1.302 116.907 115.700 -0.159 0.000 2.776 112 S HA 0.645 5.118 4.470 0.005 0.000 0.284 112 S C -1.185 173.434 174.600 0.030 0.000 1.160 112 S CA -0.474 57.708 58.200 -0.030 0.000 1.051 112 S CB 0.192 63.385 63.200 -0.013 0.000 1.037 112 S HN 0.448 nan 8.310 nan 0.000 0.485 113 I N 3.315 123.953 120.570 0.112 0.000 2.466 113 I HA 0.387 4.560 4.170 0.005 0.000 0.289 113 I C -0.640 175.583 176.117 0.176 0.000 1.026 113 I CA -0.959 60.426 61.300 0.141 0.000 1.078 113 I CB 1.891 40.000 38.000 0.181 0.000 1.249 113 I HN 0.407 nan 8.210 nan 0.000 0.429 114 D N 6.111 126.569 120.400 0.097 0.000 2.399 114 D HA 0.384 5.027 4.640 0.005 0.000 0.241 114 D C -0.538 175.831 176.300 0.115 0.000 1.133 114 D CA 0.662 54.679 54.000 0.028 0.000 0.890 114 D CB 0.972 41.760 40.800 -0.020 0.000 1.201 114 D HN 0.331 nan 8.370 nan 0.000 0.432 115 F N -1.534 118.442 119.950 0.042 0.000 2.664 115 F HA 0.644 5.174 4.527 0.005 0.000 0.317 115 F C -0.624 175.198 175.800 0.035 0.000 1.108 115 F CA -1.096 56.917 58.000 0.021 0.000 0.957 115 F CB 1.332 40.322 39.000 -0.017 0.000 1.365 115 F HN 0.075 nan 8.300 nan 0.000 0.475 116 E N 1.298 121.707 120.200 0.349 0.000 2.288 116 E HA 0.601 4.954 4.350 0.005 0.000 0.268 116 E C -1.454 175.323 176.600 0.294 0.000 0.885 116 E CA -0.895 55.677 56.400 0.287 0.000 0.767 116 E CB 3.241 33.046 29.700 0.176 0.000 1.220 116 E HN 0.583 nan 8.360 nan 0.000 0.427 117 I N 1.722 122.479 120.570 0.313 0.000 2.362 117 I HA 0.226 4.399 4.170 0.005 0.000 0.289 117 I C -0.749 175.511 176.117 0.238 0.000 0.994 117 I CA -0.461 60.943 61.300 0.173 0.000 1.158 117 I CB 1.450 39.571 38.000 0.202 0.000 1.315 117 I HN 0.384 nan 8.210 nan 0.000 0.451 118 D N 4.679 125.135 120.400 0.093 0.000 2.329 118 D HA 0.468 5.111 4.640 0.005 0.000 0.232 118 D C -0.724 175.689 176.300 0.188 0.000 1.088 118 D CA 0.091 54.170 54.000 0.132 0.000 0.835 118 D CB 1.136 41.986 40.800 0.084 0.000 1.078 118 D HN 0.554 nan 8.370 nan 0.000 0.495 119 S N 1.039 116.887 115.700 0.246 0.000 2.599 119 S HA 0.895 5.368 4.470 0.005 0.000 0.287 119 S C -0.921 173.814 174.600 0.224 0.000 1.105 119 S CA -1.040 57.338 58.200 0.296 0.000 0.899 119 S CB 2.042 65.523 63.200 0.469 0.000 1.100 119 S HN 0.391 nan 8.310 nan 0.000 0.482 120 A N 1.605 124.573 122.820 0.248 0.000 2.356 120 A HA 0.836 5.159 4.320 0.005 0.000 0.310 120 A C -0.845 176.858 177.584 0.199 0.000 1.075 120 A CA -0.818 51.352 52.037 0.220 0.000 0.746 120 A CB 0.502 19.647 19.000 0.242 0.000 1.221 120 A HN 0.860 nan 8.150 nan 0.000 0.443 121 I N 1.735 122.350 120.570 0.076 0.000 2.582 121 I HA 0.344 4.517 4.170 0.005 0.000 0.292 121 I C -1.332 174.750 176.117 -0.058 0.000 1.066 121 I CA -0.834 60.371 61.300 -0.157 0.000 1.053 121 I CB 2.506 40.322 38.000 -0.306 0.000 1.241 121 I HN 0.465 nan 8.210 nan 0.000 0.421 122 D N 6.147 126.468 120.400 -0.132 0.000 2.193 122 D HA 0.632 5.275 4.640 0.005 0.000 0.244 122 D C -0.682 175.590 176.300 -0.047 0.000 1.064 122 D CA -0.204 53.777 54.000 -0.033 0.000 0.845 122 D CB 2.208 43.003 40.800 -0.008 0.000 1.148 122 D HN 0.134 nan 8.370 nan 0.000 0.464 123 L N 1.726 122.955 121.223 0.010 0.000 2.330 123 L HA 0.462 4.805 4.340 0.005 0.000 0.271 123 L C -0.192 176.723 176.870 0.074 0.000 1.013 123 L CA -0.784 54.081 54.840 0.042 0.000 0.816 123 L CB 1.566 43.660 42.059 0.060 0.000 1.287 123 L HN 0.151 nan 8.230 nan 0.000 0.435 124 Q N 2.378 122.259 119.800 0.135 0.000 2.303 124 Q HA 0.636 4.979 4.340 0.005 0.000 0.267 124 Q C -1.726 174.392 176.000 0.196 0.000 1.011 124 Q CA -0.071 55.840 55.803 0.180 0.000 0.740 124 Q CB 1.317 30.193 28.738 0.230 0.000 1.250 124 Q HN 0.540 nan 8.270 nan 0.000 0.458 125 I N 3.598 124.233 120.570 0.109 0.000 2.382 125 I HA 0.390 4.563 4.170 0.005 0.000 0.285 125 I C -0.455 175.695 176.117 0.055 0.000 1.007 125 I CA -0.383 60.950 61.300 0.055 0.000 1.142 125 I CB 1.567 39.586 38.000 0.032 0.000 1.289 125 I HN 0.554 nan 8.210 nan 0.000 0.453 126 N N 4.908 123.637 118.700 0.049 0.000 2.527 126 N HA 0.291 5.034 4.740 0.005 0.000 0.236 126 N C -0.793 174.723 175.510 0.010 0.000 0.999 126 N CA -0.438 52.640 53.050 0.046 0.000 0.935 126 N CB 1.089 39.629 38.487 0.089 0.000 1.132 126 N HN 0.483 nan 8.380 nan 0.000 0.511 127 T N 2.117 116.675 114.554 0.008 0.000 2.771 127 T HA 0.160 4.513 4.350 0.005 0.000 0.291 127 T C 0.087 174.785 174.700 -0.004 0.000 0.954 127 T CA -0.387 61.712 62.100 -0.002 0.000 1.045 127 T CB 0.924 69.793 68.868 0.002 0.000 0.917 127 T HN 0.330 nan 8.240 nan 0.000 0.484 128 Q N 2.182 121.977 119.800 -0.009 0.000 2.230 128 Q HA 0.553 4.896 4.340 0.005 0.000 0.253 128 Q C -1.090 174.902 176.000 -0.012 0.000 0.919 128 Q CA -1.045 54.752 55.803 -0.011 0.000 0.908 128 Q CB 1.298 30.029 28.738 -0.011 0.000 1.245 128 Q HN 0.298 nan 8.270 nan 0.000 0.437 129 L N 2.075 123.288 121.223 -0.016 0.000 2.313 129 L HA 0.557 4.900 4.340 0.005 0.000 0.283 129 L C -0.074 176.783 176.870 -0.022 0.000 1.013 129 L CA -0.076 54.752 54.840 -0.019 0.000 0.816 129 L CB 1.735 43.778 42.059 -0.027 0.000 1.236 129 L HN 0.816 nan 8.230 nan 0.000 0.419 130 T N -0.232 114.311 114.554 -0.020 0.000 2.883 130 T HA 0.890 5.243 4.350 0.005 0.000 0.301 130 T C -0.502 174.185 174.700 -0.021 0.000 1.158 130 T CA -0.844 61.245 62.100 -0.019 0.000 1.007 130 T CB 1.736 70.597 68.868 -0.012 0.000 1.186 130 T HN 0.662 nan 8.240 nan 0.000 0.499 131 A N 1.166 123.973 122.820 -0.022 0.000 2.366 131 A HA 0.643 4.966 4.320 0.005 0.000 0.272 131 A C -0.365 177.212 177.584 -0.012 0.000 1.135 131 A CA -0.289 51.735 52.037 -0.023 0.000 0.804 131 A CB -0.104 18.881 19.000 -0.026 0.000 1.064 131 A HN 0.931 nan 8.150 nan 0.000 0.499 132 D N 0.854 121.249 120.400 -0.009 0.000 2.763 132 D HA 0.420 5.063 4.640 0.005 0.000 0.235 132 D C -0.069 176.230 176.300 -0.001 0.000 1.334 132 D CA 0.333 54.331 54.000 -0.004 0.000 0.950 132 D CB 0.884 41.682 40.800 -0.002 0.000 1.433 132 D HN 0.515 nan 8.370 nan 0.000 0.580 133 S N 2.463 118.163 115.700 -0.000 0.000 3.635 133 S HA -0.085 4.388 4.470 0.005 0.000 0.328 133 S C 1.291 175.892 174.600 0.001 0.000 1.135 133 S CA 1.310 59.511 58.200 0.002 0.000 0.942 133 S CB -1.605 61.597 63.200 0.004 0.000 0.930 133 S HN 1.538 nan 8.310 nan 0.000 0.512 134 G N -0.186 108.612 108.800 -0.003 0.000 2.155 134 G HA2 -0.329 3.634 3.960 0.005 0.000 0.257 134 G HA3 -0.329 3.634 3.960 0.005 0.000 0.257 134 G C -0.056 174.845 174.900 0.001 0.000 0.983 134 G CA 0.686 45.783 45.100 -0.006 0.000 0.676 134 G HN 0.631 nan 8.290 nan 0.000 0.528 135 R N -0.454 120.046 120.500 0.001 0.000 2.711 135 R HA 0.578 4.921 4.340 0.005 0.000 0.284 135 R C 0.095 176.395 176.300 0.001 0.000 0.968 135 R CA -0.395 55.711 56.100 0.009 0.000 0.924 135 R CB 2.135 32.441 30.300 0.011 0.000 1.162 135 R HN 0.581 nan 8.270 nan 0.000 0.465 136 V N 3.068 122.986 119.914 0.006 0.000 2.455 136 V HA 0.315 4.438 4.120 0.005 0.000 0.273 136 V C 0.111 176.208 176.094 0.004 0.000 1.045 136 V CA -0.197 62.100 62.300 -0.006 0.000 0.976 136 V CB 0.470 32.282 31.823 -0.019 0.000 0.993 136 V HN 0.579 nan 8.190 nan 0.000 0.475 137 R N 3.966 124.466 120.500 -0.000 0.000 2.536 137 R HA 0.607 4.950 4.340 0.005 0.000 0.279 137 R C 0.005 176.306 176.300 0.002 0.000 1.001 137 R CA -0.090 56.012 56.100 0.004 0.000 1.027 137 R CB 1.890 32.190 30.300 0.000 0.000 1.096 137 R HN 0.961 nan 8.270 nan 0.000 0.502 138 T N -1.475 113.083 114.554 0.007 0.000 2.855 138 T HA 0.444 4.797 4.350 0.005 0.000 0.281 138 T C -0.686 174.012 174.700 -0.003 0.000 1.007 138 T CA -0.892 61.210 62.100 0.003 0.000 1.009 138 T CB 1.768 70.643 68.868 0.011 0.000 0.983 138 T HN 0.376 nan 8.240 nan 0.000 0.455 139 D N 1.566 121.960 120.400 -0.009 0.000 2.890 139 D HA 0.453 5.096 4.640 0.005 0.000 0.233 139 D C -1.098 175.188 176.300 -0.023 0.000 1.306 139 D CA -0.545 53.445 54.000 -0.017 0.000 0.929 139 D CB 2.008 42.797 40.800 -0.017 0.000 1.512 139 D HN 0.833 nan 8.370 nan 0.000 0.568 140 A N 3.478 126.278 122.820 -0.033 0.000 2.923 140 A HA 0.410 4.733 4.320 0.005 0.000 0.343 140 A C -1.552 175.986 177.584 -0.078 0.000 1.199 140 A CA -1.010 50.998 52.037 -0.049 0.000 0.878 140 A CB 0.534 19.508 19.000 -0.044 0.000 1.104 140 A HN 0.266 nan 8.150 nan 0.000 0.483 141 P HA -0.031 nan 4.420 nan 0.000 0.225 141 P C -0.475 176.726 177.300 -0.166 0.000 1.156 141 P CA 0.877 63.919 63.100 -0.096 0.000 0.787 141 P CB 0.237 31.896 31.700 -0.067 0.000 0.802 142 D N 0.523 120.801 120.400 -0.205 0.000 2.499 142 D HA 0.155 4.798 4.640 0.005 0.000 0.225 142 D C -0.560 175.412 176.300 -0.547 0.000 1.124 142 D CA -0.081 53.662 54.000 -0.429 0.000 0.938 142 D CB -0.013 40.651 40.800 -0.227 0.000 1.014 142 D HN 0.011 nan 8.370 nan 0.000 0.517 143 c N 4.675 122.931 118.600 -0.573 0.000 2.455 143 c HA 0.423 4.996 4.570 0.005 0.000 0.321 143 c C -0.953 172.941 174.090 -0.327 0.000 1.102 143 c CA -0.685 55.445 56.329 -0.333 0.000 1.413 143 c CB -1.252 41.159 42.510 -0.165 0.000 1.952 143 c HN 0.408 nan 8.230 nan 0.000 0.428 144 Y N 4.915 125.216 120.300 0.001 0.000 2.323 144 Y HA 0.722 5.275 4.550 0.005 0.000 0.331 144 Y C 0.094 175.988 175.900 -0.010 0.000 1.092 144 Y CA -0.832 57.271 58.100 0.004 0.000 1.150 144 Y CB 0.873 39.335 38.460 0.004 0.000 1.200 144 Y HN 0.421 nan 8.280 nan 0.000 0.472 145 L N 2.313 123.618 121.223 0.137 0.000 2.365 145 L HA 0.564 4.907 4.340 0.005 0.000 0.273 145 L C -0.409 176.471 176.870 0.017 0.000 1.000 145 L CA -0.294 54.552 54.840 0.009 0.000 0.819 145 L CB 2.244 44.282 42.059 -0.034 0.000 1.284 145 L HN 0.616 nan 8.230 nan 0.000 0.418 146 S N 3.178 118.798 115.700 -0.132 0.000 2.707 146 S HA 0.621 5.094 4.470 0.005 0.000 0.312 146 S C -1.015 173.421 174.600 -0.274 0.000 1.116 146 S CA -0.469 57.672 58.200 -0.099 0.000 1.078 146 S CB 0.097 63.227 63.200 -0.117 0.000 0.997 146 S HN 0.250 nan 8.310 nan 0.000 0.477 147 F N 4.585 124.492 119.950 -0.072 0.000 2.420 147 F HA 0.402 4.933 4.527 0.005 0.000 0.352 147 F C 1.791 177.525 175.800 -0.109 0.000 1.108 147 F CA -0.441 57.530 58.000 -0.048 0.000 1.162 147 F CB 0.800 39.833 39.000 0.056 0.000 1.118 147 F HN 0.684 nan 8.300 nan 0.000 0.510 148 H N 2.044 121.238 119.070 0.207 0.000 2.431 148 H HA 0.090 4.649 4.556 0.005 0.000 0.295 148 H C 0.272 175.698 175.328 0.163 0.000 1.038 148 H CA 0.765 56.900 56.048 0.146 0.000 1.360 148 H CB 0.449 30.269 29.762 0.095 0.000 1.433 148 H HN 0.520 nan 8.280 nan 0.000 0.536 149 K N -0.218 120.380 120.400 0.329 0.000 2.575 149 K HA 0.454 4.777 4.320 0.005 0.000 0.279 149 K C -1.865 174.906 176.600 0.285 0.000 0.969 149 K CA -1.000 55.438 56.287 0.252 0.000 0.868 149 K CB 2.125 34.744 32.500 0.198 0.000 1.457 149 K HN -0.036 nan 8.250 nan 0.000 0.426 150 L N 2.219 123.571 121.223 0.215 0.000 2.617 150 L HA 0.419 4.762 4.340 0.005 0.000 0.259 150 L C -2.184 174.819 176.870 0.223 0.000 0.995 150 L CA -0.239 54.736 54.840 0.226 0.000 0.899 150 L CB 1.352 43.506 42.059 0.157 0.000 1.181 150 L HN 0.721 nan 8.230 nan 0.000 0.437 151 L N 4.396 125.652 121.223 0.055 0.000 2.341 151 L HA 0.574 4.917 4.340 0.005 0.000 0.278 151 L C -0.604 175.925 176.870 -0.568 0.000 1.005 151 L CA -0.869 53.859 54.840 -0.185 0.000 0.818 151 L CB 1.953 43.880 42.059 -0.220 0.000 1.259 151 L HN 0.470 nan 8.230 nan 0.000 0.418 152 L N 3.239 123.972 121.223 -0.816 0.000 2.292 152 L HA 0.452 4.795 4.340 0.005 0.000 0.284 152 L C -0.841 175.698 176.870 -0.551 0.000 1.065 152 L CA 0.292 54.594 54.840 -0.896 0.000 0.806 152 L CB 0.372 41.567 42.059 -1.441 0.000 1.175 152 L HN 0.416 nan 8.230 nan 0.000 0.431 153 H N 6.107 125.089 119.070 -0.147 0.000 2.906 153 H HA 0.408 4.967 4.556 0.005 0.000 0.324 153 H C -0.787 174.542 175.328 0.001 0.000 0.973 153 H CA -0.642 55.367 56.048 -0.064 0.000 1.321 153 H CB 1.206 30.958 29.762 -0.018 0.000 1.535 153 H HN 0.581 nan 8.280 nan 0.000 0.518 154 L N 1.728 123.011 121.223 0.100 0.000 2.371 154 L HA 0.240 4.583 4.340 0.005 0.000 0.272 154 L C 1.053 177.974 176.870 0.085 0.000 1.124 154 L CA -0.509 54.391 54.840 0.100 0.000 0.816 154 L CB 0.835 42.918 42.059 0.040 0.000 1.129 154 L HN 0.381 nan 8.230 nan 0.000 0.448 155 Q N 1.393 121.246 119.800 0.090 0.000 2.255 155 Q HA 0.108 4.451 4.340 0.005 0.000 0.280 155 Q C 0.982 177.005 176.000 0.040 0.000 1.068 155 Q CA 1.006 56.842 55.803 0.054 0.000 0.911 155 Q CB 0.592 29.358 28.738 0.047 0.000 1.157 155 Q HN 0.950 nan 8.270 nan 0.000 0.380 156 G N 3.229 112.042 108.800 0.021 0.000 2.159 156 G HA2 -0.339 3.624 3.960 0.005 0.000 0.256 156 G HA3 -0.339 3.624 3.960 0.005 0.000 0.256 156 G C -0.003 174.902 174.900 0.008 0.000 0.977 156 G CA 0.188 45.297 45.100 0.015 0.000 0.652 156 G HN 0.908 nan 8.290 nan 0.000 0.531 157 E N -0.784 119.419 120.200 0.004 0.000 2.328 157 E HA -0.245 4.108 4.350 0.005 0.000 0.233 157 E C 0.658 177.251 176.600 -0.012 0.000 1.219 157 E CA 0.897 57.291 56.400 -0.009 0.000 0.717 157 E CB -0.827 28.859 29.700 -0.024 0.000 1.210 157 E HN 0.813 nan 8.360 nan 0.000 0.381 158 R N 1.067 121.566 120.500 -0.002 0.000 2.537 158 R HA 0.223 4.566 4.340 0.005 0.000 0.280 158 R C 0.267 176.536 176.300 -0.052 0.000 1.058 158 R CA 0.246 56.346 56.100 -0.001 0.000 1.057 158 R CB 0.497 30.820 30.300 0.039 0.000 0.973 158 R HN 0.058 nan 8.270 nan 0.000 0.438 159 E N 3.393 123.560 120.200 -0.054 0.000 2.502 159 E HA 0.193 4.546 4.350 0.005 0.000 0.261 159 E C -1.881 174.673 176.600 -0.076 0.000 0.974 159 E CA -1.505 54.827 56.400 -0.113 0.000 0.795 159 E CB 0.963 30.602 29.700 -0.102 0.000 1.385 159 E HN 0.354 nan 8.360 nan 0.000 0.400 160 P HA 0.171 nan 4.420 nan 0.000 0.229 160 P C 0.726 178.057 177.300 0.052 0.000 1.160 160 P CA 1.148 64.275 63.100 0.044 0.000 0.777 160 P CB 0.625 32.451 31.700 0.210 0.000 0.814 161 G N -0.689 108.068 108.800 -0.072 0.000 2.480 161 G HA2 -0.144 3.819 3.960 0.005 0.000 0.193 161 G HA3 -0.144 3.819 3.960 0.005 0.000 0.193 161 G C 0.653 175.565 174.900 0.021 0.000 1.004 161 G CA 0.047 45.148 45.100 0.002 0.000 0.696 161 G HN 0.381 nan 8.290 nan 0.000 0.478 162 W N 0.608 121.873 121.300 -0.058 0.000 2.998 162 W HA 0.532 5.195 4.660 0.005 0.000 0.336 162 W C 1.296 177.733 176.519 -0.137 0.000 1.112 162 W CA 0.325 57.614 57.345 -0.092 0.000 1.682 162 W CB -0.444 28.956 29.460 -0.100 0.000 1.065 162 W HN 0.188 nan 8.180 nan 0.000 0.570 163 I N 1.847 121.967 120.570 -0.750 0.000 2.270 163 I HA -0.148 4.025 4.170 0.005 0.000 0.239 163 I C 2.658 178.588 176.117 -0.311 0.000 1.080 163 I CA 1.413 62.239 61.300 -0.789 0.000 1.383 163 I CB -0.532 36.877 38.000 -0.985 0.000 1.097 163 I HN -0.215 nan 8.210 nan 0.000 0.420 164 K N 0.688 120.948 120.400 -0.233 0.000 2.103 164 K HA -0.219 4.104 4.320 0.005 0.000 0.207 164 K C 2.279 178.876 176.600 -0.006 0.000 1.048 164 K CA 1.415 57.644 56.287 -0.096 0.000 0.930 164 K CB 0.025 32.476 32.500 -0.082 0.000 0.716 164 K HN 0.233 nan 8.250 nan 0.000 0.444 165 Q N 0.292 120.081 119.800 -0.019 0.000 2.079 165 Q HA -0.163 4.180 4.340 0.005 0.000 0.200 165 Q C 2.209 178.229 176.000 0.034 0.000 0.974 165 Q CA 1.286 57.100 55.803 0.019 0.000 0.840 165 Q CB -0.135 28.620 28.738 0.027 0.000 0.898 165 Q HN 0.334 nan 8.270 nan 0.000 0.430 166 L N -0.081 121.160 121.223 0.031 0.000 2.005 166 L HA -0.139 4.204 4.340 0.005 0.000 0.207 166 L C 2.213 179.103 176.870 0.033 0.000 1.072 166 L CA 1.553 56.407 54.840 0.022 0.000 0.744 166 L CB -0.804 41.245 42.059 -0.018 0.000 0.895 166 L HN 0.095 nan 8.230 nan 0.000 0.433 167 F N 0.496 120.374 119.950 -0.121 0.000 2.065 167 F HA -0.293 4.237 4.527 0.005 0.000 0.298 167 F C 2.317 178.072 175.800 -0.075 0.000 1.112 167 F CA 2.539 60.465 58.000 -0.125 0.000 1.212 167 F CB -0.876 38.014 39.000 -0.183 0.000 0.975 167 F HN 0.132 nan 8.300 nan 0.000 0.476 168 T N 0.251 114.818 114.554 0.023 0.000 2.684 168 T HA -0.233 4.120 4.350 0.005 0.000 0.267 168 T C 1.568 176.216 174.700 -0.087 0.000 1.036 168 T CA 2.147 64.221 62.100 -0.043 0.000 1.148 168 T CB -0.558 68.334 68.868 0.040 0.000 0.863 168 T HN 0.412 nan 8.240 nan 0.000 0.436 169 N N -0.749 117.938 118.700 -0.023 0.000 2.409 169 N HA 0.176 4.919 4.740 0.005 0.000 0.174 169 N C 1.167 176.719 175.510 0.070 0.000 1.037 169 N CA 0.362 53.420 53.050 0.014 0.000 0.898 169 N CB 0.095 38.610 38.487 0.046 0.000 1.010 169 N HN 0.236 nan 8.380 nan 0.000 0.445 170 F N -0.006 119.878 119.950 -0.111 0.000 2.727 170 F HA 0.439 4.969 4.527 0.005 0.000 0.302 170 F C 1.249 176.964 175.800 -0.141 0.000 1.107 170 F CA -0.061 57.886 58.000 -0.089 0.000 1.277 170 F CB 0.566 39.536 39.000 -0.051 0.000 1.079 170 F HN -0.124 nan 8.300 nan 0.000 0.594 171 I N -1.149 119.291 120.570 -0.216 0.000 3.194 171 I HA -0.087 4.086 4.170 0.005 0.000 0.271 171 I C 2.409 178.181 176.117 -0.575 0.000 1.150 171 I CA 1.006 62.080 61.300 -0.377 0.000 1.440 171 I CB -0.328 37.496 38.000 -0.292 0.000 1.276 171 I HN 0.041 nan 8.210 nan 0.000 0.457 172 S N 1.446 116.660 115.700 -0.811 0.000 2.356 172 S HA -0.228 4.245 4.470 0.005 0.000 0.223 172 S C 2.094 176.469 174.600 -0.374 0.000 1.032 172 S CA 1.129 58.893 58.200 -0.726 0.000 1.005 172 S CB -1.136 61.625 63.200 -0.731 0.000 0.867 172 S HN 0.441 nan 8.310 nan 0.000 0.449 173 F N 3.195 122.903 119.950 -0.402 0.000 2.171 173 F HA -0.124 4.406 4.527 0.005 0.000 0.300 173 F C 2.911 178.533 175.800 -0.297 0.000 1.090 173 F CA 1.556 59.364 58.000 -0.319 0.000 1.293 173 F CB -0.402 38.459 39.000 -0.232 0.000 1.013 173 F HN 0.445 nan 8.300 nan 0.000 0.486 174 T N -1.219 113.111 114.554 -0.374 0.000 2.995 174 T HA -0.151 4.202 4.350 0.005 0.000 0.269 174 T C 1.761 176.242 174.700 -0.364 0.000 1.091 174 T CA 1.093 62.935 62.100 -0.430 0.000 1.128 174 T CB -0.459 68.180 68.868 -0.381 0.000 0.891 174 T HN 0.299 nan 8.240 nan 0.000 0.492 175 L N 0.920 121.935 121.223 -0.346 0.000 2.049 175 L HA 0.283 4.626 4.340 0.005 0.000 0.203 175 L C 2.500 179.197 176.870 -0.289 0.000 1.074 175 L CA 1.663 56.336 54.840 -0.278 0.000 0.749 175 L CB -0.846 41.049 42.059 -0.274 0.000 0.907 175 L HN 0.096 nan 8.230 nan 0.000 0.439 176 K N -0.438 119.698 120.400 -0.439 0.000 2.097 176 K HA -0.250 4.073 4.320 0.005 0.000 0.214 176 K C 2.068 178.510 176.600 -0.263 0.000 1.052 176 K CA 2.358 58.282 56.287 -0.604 0.000 0.932 176 K CB -0.547 31.415 32.500 -0.897 0.000 0.716 176 K HN 0.364 nan 8.250 nan 0.000 0.455 177 L N 0.183 121.186 121.223 -0.367 0.000 2.141 177 L HA -0.169 4.174 4.340 0.005 0.000 0.209 177 L C 2.297 179.074 176.870 -0.154 0.000 1.094 177 L CA 0.665 55.336 54.840 -0.282 0.000 0.763 177 L CB -0.286 41.506 42.059 -0.445 0.000 0.908 177 L HN 0.030 nan 8.230 nan 0.000 0.437 178 V N -0.028 119.797 119.914 -0.148 0.000 2.379 178 V HA -0.255 3.868 4.120 0.005 0.000 0.245 178 V C 2.396 178.489 176.094 -0.003 0.000 1.044 178 V CA 1.401 63.654 62.300 -0.078 0.000 1.036 178 V CB -0.245 31.533 31.823 -0.074 0.000 0.664 178 V HN 0.312 nan 8.190 nan 0.000 0.453 179 L N -0.035 121.217 121.223 0.048 0.000 1.990 179 L HA -0.274 4.069 4.340 0.005 0.000 0.213 179 L C 2.680 179.622 176.870 0.120 0.000 1.072 179 L CA 2.188 57.130 54.840 0.170 0.000 0.755 179 L CB -0.774 41.466 42.059 0.302 0.000 0.889 179 L HN 0.313 nan 8.230 nan 0.000 0.432 180 K N 0.308 120.782 120.400 0.125 0.000 2.032 180 K HA -0.191 4.132 4.320 0.005 0.000 0.209 180 K C 1.993 178.585 176.600 -0.014 0.000 1.048 180 K CA 1.736 58.061 56.287 0.064 0.000 0.927 180 K CB -0.410 32.136 32.500 0.077 0.000 0.712 180 K HN 0.393 nan 8.250 nan 0.000 0.441 181 G N 0.998 109.779 108.800 -0.031 0.000 2.440 181 G HA2 -0.262 3.701 3.960 0.005 0.000 0.218 181 G HA3 -0.262 3.701 3.960 0.005 0.000 0.218 181 G C 1.482 176.341 174.900 -0.068 0.000 1.154 181 G CA 0.465 45.531 45.100 -0.055 0.000 0.767 181 G HN 0.334 nan 8.290 nan 0.000 0.552 182 Q N -0.174 119.585 119.800 -0.069 0.000 2.062 182 Q HA 0.024 4.367 4.340 0.005 0.000 0.196 182 Q C 2.816 178.730 176.000 -0.144 0.000 0.967 182 Q CA 0.513 56.248 55.803 -0.114 0.000 0.832 182 Q CB -0.290 28.360 28.738 -0.146 0.000 0.899 182 Q HN 0.385 nan 8.270 nan 0.000 0.442 183 I N 0.562 121.035 120.570 -0.162 0.000 2.142 183 I HA -0.266 3.907 4.170 0.005 0.000 0.240 183 I C 2.543 178.568 176.117 -0.152 0.000 1.078 183 I CA 0.860 62.005 61.300 -0.259 0.000 1.343 183 I CB -1.503 36.269 38.000 -0.381 0.000 1.046 183 I HN 0.183 nan 8.210 nan 0.000 0.405 184 c N 0.866 119.404 118.600 -0.103 0.000 2.413 184 c HA -0.158 4.415 4.570 0.005 0.000 0.276 184 c C 2.873 176.920 174.090 -0.071 0.000 1.248 184 c CA 0.648 56.931 56.329 -0.077 0.000 1.742 184 c CB -0.857 41.608 42.510 -0.074 0.000 2.017 184 c HN 0.473 nan 8.230 nan 0.000 0.481 185 K N 0.948 121.302 120.400 -0.077 0.000 2.097 185 K HA -0.167 4.156 4.320 0.005 0.000 0.206 185 K C 1.782 178.345 176.600 -0.061 0.000 1.049 185 K CA 1.736 57.983 56.287 -0.066 0.000 0.933 185 K CB -0.221 32.237 32.500 -0.070 0.000 0.717 185 K HN 0.380 nan 8.250 nan 0.000 0.442 186 E N 0.575 120.729 120.200 -0.076 0.000 2.230 186 E HA 0.071 4.424 4.350 0.005 0.000 0.192 186 E C 1.877 178.455 176.600 -0.036 0.000 0.987 186 E CA 0.307 56.669 56.400 -0.063 0.000 0.841 186 E CB 0.001 29.648 29.700 -0.089 0.000 0.783 186 E HN 0.301 nan 8.360 nan 0.000 0.481 187 I N 0.805 121.352 120.570 -0.037 0.000 2.226 187 I HA -0.288 3.885 4.170 0.005 0.000 0.245 187 I C 1.960 178.076 176.117 -0.002 0.000 1.100 187 I CA 0.854 62.149 61.300 -0.008 0.000 1.374 187 I CB -0.227 37.767 38.000 -0.011 0.000 1.057 187 I HN 0.180 nan 8.210 nan 0.000 0.413 188 N N 0.426 119.116 118.700 -0.017 0.000 2.142 188 N HA -0.152 4.591 4.740 0.005 0.000 0.186 188 N C 1.989 177.499 175.510 -0.000 0.000 1.023 188 N CA 1.780 54.823 53.050 -0.011 0.000 0.852 188 N CB -0.109 38.364 38.487 -0.024 0.000 0.998 188 N HN 0.366 nan 8.380 nan 0.000 0.424 189 V N 0.108 120.018 119.914 -0.005 0.000 2.379 189 V HA -0.092 4.031 4.120 0.005 0.000 0.245 189 V C 2.190 178.298 176.094 0.023 0.000 1.044 189 V CA 1.033 63.335 62.300 0.004 0.000 1.036 189 V CB -0.509 31.308 31.823 -0.010 0.000 0.664 189 V HN 0.030 nan 8.190 nan 0.000 0.453 190 I N 1.466 122.051 120.570 0.026 0.000 2.179 190 I HA -0.144 4.029 4.170 0.005 0.000 0.242 190 I C 2.582 178.749 176.117 0.083 0.000 1.088 190 I CA 2.117 63.449 61.300 0.053 0.000 1.357 190 I CB -0.638 37.393 38.000 0.051 0.000 1.051 190 I HN 0.381 nan 8.210 nan 0.000 0.409 191 S N 0.678 116.415 115.700 0.062 0.000 2.374 191 S HA -0.223 4.250 4.470 0.005 0.000 0.227 191 S C 1.775 176.415 174.600 0.067 0.000 1.037 191 S CA 2.052 60.289 58.200 0.061 0.000 1.024 191 S CB -0.735 62.487 63.200 0.037 0.000 0.861 191 S HN 0.596 nan 8.310 nan 0.000 0.456 192 N N 0.707 119.442 118.700 0.058 0.000 2.300 192 N HA 0.183 4.926 4.740 0.005 0.000 0.179 192 N C 1.575 177.141 175.510 0.094 0.000 1.016 192 N CA 0.599 53.686 53.050 0.061 0.000 0.876 192 N CB -0.140 38.370 38.487 0.039 0.000 0.979 192 N HN 0.306 nan 8.380 nan 0.000 0.432 193 I N 0.380 121.017 120.570 0.111 0.000 2.226 193 I HA -0.263 3.910 4.170 0.005 0.000 0.245 193 I C 1.955 178.231 176.117 0.265 0.000 1.100 193 I CA 1.175 62.576 61.300 0.168 0.000 1.374 193 I CB -0.117 37.964 38.000 0.136 0.000 1.057 193 I HN 0.224 nan 8.210 nan 0.000 0.413 194 M N -0.131 119.610 119.600 0.236 0.000 2.200 194 M HA -0.117 4.366 4.480 0.005 0.000 0.265 194 M C 2.472 178.880 176.300 0.181 0.000 1.066 194 M CA 1.631 57.066 55.300 0.225 0.000 1.127 194 M CB -0.309 32.394 32.600 0.171 0.000 1.379 194 M HN 0.288 nan 8.290 nan 0.000 0.420 195 A N 0.401 123.298 122.820 0.129 0.000 1.873 195 A HA -0.232 4.091 4.320 0.005 0.000 0.215 195 A C 1.715 179.351 177.584 0.087 0.000 1.186 195 A CA 2.280 54.368 52.037 0.085 0.000 0.616 195 A CB -0.953 18.081 19.000 0.057 0.000 0.823 195 A HN 0.545 nan 8.150 nan 0.000 0.442 196 D N -1.651 118.816 120.400 0.112 0.000 2.144 196 D HA -0.181 4.462 4.640 0.005 0.000 0.200 196 D C 1.636 178.007 176.300 0.119 0.000 0.978 196 D CA 1.403 55.463 54.000 0.099 0.000 0.833 196 D CB -0.233 40.630 40.800 0.105 0.000 0.961 196 D HN 0.382 nan 8.370 nan 0.000 0.470 197 F N 0.537 120.514 119.950 0.044 0.000 2.102 197 F HA -0.128 4.403 4.527 0.006 0.000 0.298 197 F C 2.040 177.823 175.800 -0.028 0.000 1.105 197 F CA 1.169 59.188 58.000 0.031 0.000 1.239 197 F CB -0.541 38.491 39.000 0.052 0.000 0.991 197 F HN -0.100 nan 8.300 nan 0.000 0.474 198 V N 0.736 120.581 119.914 -0.115 0.000 2.282 198 V HA -0.377 3.746 4.120 0.005 0.000 0.249 198 V C 2.401 178.356 176.094 -0.231 0.000 1.057 198 V CA 2.481 64.649 62.300 -0.219 0.000 1.032 198 V CB -0.943 30.848 31.823 -0.054 0.000 0.645 198 V HN 0.430 nan 8.190 nan 0.000 0.447 199 Q N -0.166 119.555 119.800 -0.131 0.000 2.124 199 Q HA -0.200 4.143 4.340 0.005 0.000 0.202 199 Q C 2.344 178.248 176.000 -0.161 0.000 0.977 199 Q CA 2.198 57.926 55.803 -0.125 0.000 0.850 199 Q CB -0.329 28.378 28.738 -0.052 0.000 0.901 199 Q HN 0.901 nan 8.270 nan 0.000 0.429 200 T N -1.418 113.032 114.554 -0.174 0.000 2.942 200 T HA -0.091 4.262 4.350 0.005 0.000 0.265 200 T C 1.705 176.268 174.700 -0.229 0.000 1.062 200 T CA 1.026 63.030 62.100 -0.161 0.000 1.139 200 T CB -0.095 68.713 68.868 -0.099 0.000 0.883 200 T HN 0.065 nan 8.240 nan 0.000 0.468 201 R N 2.196 122.467 120.500 -0.381 0.000 2.090 201 R HA 0.333 4.676 4.340 0.005 0.000 0.228 201 R C 2.502 178.643 176.300 -0.265 0.000 1.110 201 R CA 1.412 57.285 56.100 -0.379 0.000 0.973 201 R CB -1.178 28.757 30.300 -0.607 0.000 0.869 201 R HN 0.406 nan 8.270 nan 0.000 0.440 202 A N 0.665 123.329 122.820 -0.260 0.000 1.865 202 A HA -0.097 4.226 4.320 0.005 0.000 0.217 202 A C 2.423 179.889 177.584 -0.196 0.000 1.191 202 A CA 2.009 53.908 52.037 -0.231 0.000 0.623 202 A CB -1.255 17.600 19.000 -0.242 0.000 0.826 202 A HN 0.500 nan 8.150 nan 0.000 0.444 203 A N -1.138 121.573 122.820 -0.181 0.000 1.933 203 A HA -0.081 4.242 4.320 0.005 0.000 0.218 203 A C 2.465 179.988 177.584 -0.102 0.000 1.175 203 A CA 2.141 54.091 52.037 -0.145 0.000 0.628 203 A CB -0.859 18.066 19.000 -0.125 0.000 0.814 203 A HN 0.560 nan 8.150 nan 0.000 0.444 204 S N -0.540 115.096 115.700 -0.107 0.000 2.383 204 S HA -0.069 4.404 4.470 0.005 0.000 0.227 204 S C 1.844 176.408 174.600 -0.061 0.000 1.026 204 S CA 1.169 59.324 58.200 -0.075 0.000 0.981 204 S CB -0.500 62.647 63.200 -0.088 0.000 0.818 204 S HN 0.502 nan 8.310 nan 0.000 0.472 205 I N 1.079 121.596 120.570 -0.088 0.000 2.361 205 I HA -0.127 4.046 4.170 0.005 0.000 0.251 205 I C 1.131 177.232 176.117 -0.026 0.000 1.133 205 I CA 1.071 62.327 61.300 -0.074 0.000 1.413 205 I CB -0.136 37.789 38.000 -0.124 0.000 1.073 205 I HN 0.288 nan 8.210 nan 0.000 0.424 206 L N -0.401 120.816 121.223 -0.011 0.000 2.685 206 L HA 0.186 4.529 4.340 0.005 0.000 0.233 206 L C 0.213 177.190 176.870 0.178 0.000 1.173 206 L CA -0.084 54.815 54.840 0.099 0.000 0.961 206 L CB -0.268 41.814 42.059 0.038 0.000 1.217 206 L HN 0.009 nan 8.230 nan 0.000 0.478 207 S N -0.559 115.192 115.700 0.084 0.000 2.599 207 S HA 0.634 5.107 4.470 0.005 0.000 0.294 207 S C -1.147 173.482 174.600 0.048 0.000 1.094 207 S CA -0.619 57.633 58.200 0.086 0.000 0.931 207 S CB 2.712 65.933 63.200 0.035 0.000 1.093 207 S HN 0.131 nan 8.310 nan 0.000 0.488 208 D N -0.482 119.947 120.400 0.048 0.000 2.614 208 D HA 0.486 5.129 4.640 0.005 0.000 0.203 208 D C 0.536 176.851 176.300 0.024 0.000 1.312 208 D CA 0.849 54.858 54.000 0.013 0.000 0.889 208 D CB 0.512 41.299 40.800 -0.020 0.000 1.615 208 D HN 0.733 nan 8.370 nan 0.000 0.567 209 G N 3.696 112.503 108.800 0.011 0.000 2.651 209 G HA2 -0.383 3.580 3.960 0.005 0.000 0.315 209 G HA3 -0.383 3.580 3.960 0.005 0.000 0.315 209 G C 0.803 175.716 174.900 0.021 0.000 1.258 209 G CA 0.633 45.740 45.100 0.012 0.000 1.002 209 G HN 0.601 nan 8.290 nan 0.000 0.551 210 D N 0.981 121.400 120.400 0.031 0.000 2.363 210 D HA 0.117 4.760 4.640 0.005 0.000 0.226 210 D C 1.130 177.479 176.300 0.081 0.000 1.020 210 D CA 0.494 54.489 54.000 -0.008 0.000 0.892 210 D CB 0.023 40.764 40.800 -0.099 0.000 0.900 210 D HN 0.370 nan 8.370 nan 0.000 0.531 211 I N 0.668 121.327 120.570 0.149 0.000 2.315 211 I HA 0.328 4.501 4.170 0.005 0.000 0.291 211 I C 1.005 177.226 176.117 0.174 0.000 1.006 211 I CA -0.432 60.995 61.300 0.212 0.000 1.265 211 I CB 1.823 39.929 38.000 0.177 0.000 1.387 211 I HN -0.201 nan 8.210 nan 0.000 0.475 212 G N 4.823 113.736 108.800 0.189 0.000 3.013 212 G HA2 0.710 4.673 3.960 0.005 0.000 0.278 212 G HA3 0.710 4.673 3.960 0.005 0.000 0.278 212 G C -1.570 173.405 174.900 0.124 0.000 1.353 212 G CA -0.519 44.657 45.100 0.126 0.000 1.043 212 G HN 0.366 nan 8.290 nan 0.000 0.523 213 V N -0.357 119.525 119.914 -0.053 0.000 2.925 213 V HA 0.582 4.705 4.120 0.005 0.000 0.311 213 V C -1.687 174.297 176.094 -0.184 0.000 1.104 213 V CA -0.810 61.315 62.300 -0.292 0.000 0.954 213 V CB 2.248 33.759 31.823 -0.520 0.000 1.022 213 V HN 0.758 nan 8.190 nan 0.000 0.427 214 D N 5.135 125.426 120.400 -0.182 0.000 2.392 214 D HA 0.348 4.991 4.640 0.005 0.000 0.228 214 D C 0.419 176.618 176.300 -0.168 0.000 1.074 214 D CA -0.346 53.582 54.000 -0.119 0.000 0.838 214 D CB 1.141 41.913 40.800 -0.046 0.000 1.067 214 D HN 0.602 nan 8.370 nan 0.000 0.511 215 I N 0.537 121.026 120.570 -0.136 0.000 3.816 215 I HA 0.315 4.488 4.170 0.005 0.000 0.334 215 I C 0.219 176.364 176.117 0.047 0.000 1.551 215 I CA -0.723 60.516 61.300 -0.101 0.000 1.153 215 I CB 0.185 38.041 38.000 -0.239 0.000 1.197 215 I HN -0.023 nan 8.210 nan 0.000 0.439 216 S N 2.253 117.948 115.700 -0.009 0.000 2.571 216 S HA 0.166 4.639 4.470 0.005 0.000 0.298 216 S C 0.358 174.962 174.600 0.007 0.000 1.280 216 S CA -0.047 58.155 58.200 0.004 0.000 1.052 216 S CB 0.373 63.556 63.200 -0.027 0.000 0.799 216 S HN 0.364 nan 8.310 nan 0.000 0.501 217 L N 2.759 123.967 121.223 -0.024 0.000 2.426 217 L HA 0.152 4.495 4.340 0.005 0.000 0.271 217 L C 1.799 178.623 176.870 -0.076 0.000 1.169 217 L CA -0.210 54.558 54.840 -0.120 0.000 0.836 217 L CB 0.674 42.654 42.059 -0.132 0.000 1.112 217 L HN 0.876 nan 8.230 nan 0.000 0.465 218 T N -2.008 112.500 114.554 -0.078 0.000 3.060 218 T HA 0.370 4.723 4.350 0.005 0.000 0.249 218 T C 0.529 175.229 174.700 -0.001 0.000 1.079 218 T CA 0.201 62.285 62.100 -0.026 0.000 1.013 218 T CB 0.396 69.257 68.868 -0.011 0.000 0.975 218 T HN 0.777 nan 8.240 nan 0.000 0.518 219 G N 0.003 108.802 108.800 -0.003 0.000 2.451 219 G HA2 0.442 4.405 3.960 0.005 0.000 0.292 219 G HA3 0.442 4.405 3.960 0.005 0.000 0.292 219 G C -2.173 172.731 174.900 0.007 0.000 1.427 219 G CA -0.922 44.193 45.100 0.024 0.000 0.792 219 G HN 0.036 nan 8.290 nan 0.000 0.498 220 D N 1.189 121.597 120.400 0.014 0.000 2.423 220 D HA 0.341 4.984 4.640 0.005 0.000 0.238 220 D C -1.685 174.602 176.300 -0.022 0.000 1.142 220 D CA -0.148 53.847 54.000 -0.009 0.000 0.884 220 D CB 0.992 41.793 40.800 0.003 0.000 1.199 220 D HN 0.043 nan 8.370 nan 0.000 0.438 221 P HA 0.074 nan 4.420 nan 0.000 0.271 221 P C -0.502 176.762 177.300 -0.060 0.000 1.244 221 P CA -0.373 62.652 63.100 -0.124 0.000 0.793 221 P CB 0.605 32.231 31.700 -0.123 0.000 0.984 222 V N 1.608 121.481 119.914 -0.069 0.000 2.628 222 V HA 0.448 4.571 4.120 0.005 0.000 0.306 222 V C 0.107 176.175 176.094 -0.043 0.000 1.045 222 V CA -0.467 61.830 62.300 -0.006 0.000 0.905 222 V CB 1.493 33.366 31.823 0.083 0.000 0.997 222 V HN 0.325 nan 8.190 nan 0.000 0.436 223 I N 3.868 124.391 120.570 -0.078 0.000 2.498 223 I HA 0.613 4.786 4.170 0.005 0.000 0.290 223 I C 0.075 176.059 176.117 -0.222 0.000 1.032 223 I CA -0.231 60.986 61.300 -0.138 0.000 1.073 223 I CB 2.426 40.375 38.000 -0.085 0.000 1.251 223 I HN 0.782 nan 8.210 nan 0.000 0.426 224 T N 1.488 115.805 114.554 -0.395 0.000 2.858 224 T HA 0.595 4.948 4.350 0.005 0.000 0.285 224 T C 0.875 175.405 174.700 -0.283 0.000 1.052 224 T CA -0.237 61.629 62.100 -0.391 0.000 1.009 224 T CB 1.778 70.248 68.868 -0.664 0.000 1.241 224 T HN 0.536 nan 8.240 nan 0.000 0.542 225 A N 0.262 122.967 122.820 -0.191 0.000 2.178 225 A HA 0.146 4.470 4.320 0.005 0.000 0.218 225 A C 2.127 179.657 177.584 -0.090 0.000 1.157 225 A CA 1.596 53.567 52.037 -0.111 0.000 0.689 225 A CB -1.071 17.887 19.000 -0.070 0.000 0.787 225 A HN 0.725 nan 8.150 nan 0.000 0.465 226 S N -2.896 112.721 115.700 -0.138 0.000 2.554 226 S HA 0.381 4.854 4.470 0.005 0.000 0.227 226 S C -0.019 174.645 174.600 0.107 0.000 1.050 226 S CA 0.275 58.477 58.200 0.004 0.000 0.927 226 S CB 0.194 63.457 63.200 0.104 0.000 0.859 226 S HN 0.794 nan 8.310 nan 0.000 0.494 227 Y N 0.026 120.324 120.300 -0.002 0.000 2.750 227 Y HA 0.709 5.262 4.550 0.005 0.000 0.335 227 Y C -1.740 174.146 175.900 -0.024 0.000 1.252 227 Y CA -2.051 56.046 58.100 -0.005 0.000 1.064 227 Y CB 0.487 38.944 38.460 -0.005 0.000 1.321 227 Y HN -0.045 nan 8.280 nan 0.000 0.451 228 L N -0.382 120.970 121.223 0.214 0.000 2.354 228 L HA 0.887 5.230 4.340 0.005 0.000 0.269 228 L C -0.946 176.010 176.870 0.143 0.000 1.005 228 L CA -1.012 53.903 54.840 0.125 0.000 0.819 228 L CB 2.358 44.424 42.059 0.013 0.000 1.311 228 L HN 0.821 nan 8.230 nan 0.000 0.423 229 E N 0.819 121.034 120.200 0.024 0.000 2.263 229 E HA 0.641 4.994 4.350 0.005 0.000 0.268 229 E C -1.542 174.757 176.600 -0.502 0.000 0.884 229 E CA -0.498 55.788 56.400 -0.189 0.000 0.766 229 E CB 1.831 31.490 29.700 -0.069 0.000 1.196 229 E HN 0.893 nan 8.360 nan 0.000 0.416 230 S N 2.790 118.146 115.700 -0.574 0.000 2.501 230 S HA 0.540 5.013 4.470 0.005 0.000 0.301 230 S C -0.866 173.120 174.600 -1.024 0.000 1.096 230 S CA -0.907 56.860 58.200 -0.721 0.000 1.063 230 S CB 0.972 63.963 63.200 -0.349 0.000 1.042 230 S HN 0.511 nan 8.310 nan 0.000 0.494 231 H N 1.411 120.107 119.070 -0.623 0.000 2.539 231 H HA 0.543 5.102 4.556 0.006 0.000 0.332 231 H C -0.273 174.695 175.328 -0.600 0.000 1.031 231 H CA -0.672 55.056 56.048 -0.534 0.000 1.206 231 H CB 0.884 30.407 29.762 -0.398 0.000 1.446 231 H HN 0.636 nan 8.280 nan 0.000 0.496 232 H N 1.306 120.331 119.070 -0.075 0.000 2.731 232 H HA 0.240 4.798 4.556 0.005 0.000 0.368 232 H C 0.410 175.672 175.328 -0.111 0.000 1.168 232 H CA -0.932 55.055 56.048 -0.102 0.000 1.181 232 H CB 2.272 31.953 29.762 -0.135 0.000 1.743 232 H HN 0.588 nan 8.280 nan 0.000 0.547 233 K N 0.819 121.181 120.400 -0.064 0.000 1.984 233 K HA -0.013 4.310 4.320 0.005 0.000 0.209 233 K C 0.981 177.434 176.600 -0.245 0.000 1.046 233 K CA 1.102 57.229 56.287 -0.266 0.000 0.934 233 K CB -0.184 31.976 32.500 -0.567 0.000 0.717 233 K HN 0.939 nan 8.250 nan 0.000 0.438 234 G N 2.599 111.261 108.800 -0.229 0.000 2.182 234 G HA2 -0.238 3.725 3.960 0.005 0.000 0.248 234 G HA3 -0.238 3.725 3.960 0.005 0.000 0.248 234 G C -0.657 174.178 174.900 -0.107 0.000 1.042 234 G CA 0.130 45.121 45.100 -0.182 0.000 0.775 234 G HN 0.555 nan 8.290 nan 0.000 0.501 235 H N -1.012 117.984 119.070 -0.124 0.000 2.620 235 H HA 0.498 5.057 4.556 0.005 0.000 0.313 235 H C 0.240 175.476 175.328 -0.154 0.000 1.075 235 H CA -0.823 55.195 56.048 -0.050 0.000 1.397 235 H CB 0.643 30.415 29.762 0.017 0.000 1.446 235 H HN 0.178 nan 8.280 nan 0.000 0.493 236 F N 2.775 122.828 119.950 0.172 0.000 2.418 236 F HA 0.225 4.754 4.527 0.004 0.000 0.341 236 F C 0.477 176.354 175.800 0.128 0.000 1.120 236 F CA -0.186 57.885 58.000 0.117 0.000 1.232 236 F CB 0.574 39.627 39.000 0.088 0.000 1.175 236 F HN 0.314 nan 8.300 nan 0.000 0.569 237 I N 2.849 123.592 120.570 0.290 0.000 2.474 237 I HA 0.253 4.426 4.170 0.005 0.000 0.294 237 I C -1.406 174.873 176.117 0.270 0.000 1.005 237 I CA -1.001 60.426 61.300 0.210 0.000 1.113 237 I CB 1.859 39.929 38.000 0.116 0.000 1.289 237 I HN 0.430 nan 8.210 nan 0.000 0.436 238 Y N 5.528 125.884 120.300 0.093 0.000 2.361 238 Y HA 0.327 4.881 4.550 0.006 0.000 0.337 238 Y C 0.116 176.041 175.900 0.043 0.000 0.965 238 Y CA -1.567 56.573 58.100 0.066 0.000 1.091 238 Y CB 1.163 39.658 38.460 0.058 0.000 1.182 238 Y HN 0.536 nan 8.280 nan 0.000 0.450 239 K N 5.594 125.677 120.400 -0.527 0.000 3.177 239 K HA -0.283 4.041 4.320 0.005 0.000 0.266 239 K C -0.529 175.968 176.600 -0.170 0.000 0.937 239 K CA 1.290 57.326 56.287 -0.418 0.000 0.702 239 K CB -1.015 31.122 32.500 -0.606 0.000 1.365 239 K HN 0.928 nan 8.250 nan 0.000 0.466 240 D N -2.389 117.965 120.400 -0.077 0.000 2.983 240 D HA -0.178 4.465 4.640 0.005 0.000 0.225 240 D C -0.235 176.067 176.300 0.004 0.000 1.174 240 D CA 1.377 55.364 54.000 -0.021 0.000 0.831 240 D CB -1.052 39.730 40.800 -0.029 0.000 1.104 240 D HN 0.192 nan 8.370 nan 0.000 0.421 241 V N 0.648 120.576 119.914 0.024 0.000 2.435 241 V HA 0.545 4.668 4.120 0.005 0.000 0.290 241 V C 0.601 176.750 176.094 0.091 0.000 1.030 241 V CA -0.267 62.066 62.300 0.056 0.000 0.881 241 V CB 2.022 33.885 31.823 0.066 0.000 0.983 241 V HN 0.294 nan 8.190 nan 0.000 0.445 242 S N 3.300 119.048 115.700 0.080 0.000 2.634 242 S HA 0.746 5.219 4.470 0.005 0.000 0.296 242 S C -0.955 173.679 174.600 0.056 0.000 1.104 242 S CA -1.021 57.233 58.200 0.090 0.000 0.920 242 S CB 2.318 65.584 63.200 0.111 0.000 1.111 242 S HN 0.663 nan 8.310 nan 0.000 0.493 243 E N 0.607 120.817 120.200 0.016 0.000 2.155 243 E HA 0.264 4.617 4.350 0.005 0.000 0.264 243 E C -1.656 174.859 176.600 -0.141 0.000 0.886 243 E CA -0.507 55.873 56.400 -0.033 0.000 0.752 243 E CB 1.401 31.084 29.700 -0.029 0.000 1.133 243 E HN 0.565 nan 8.360 nan 0.000 0.414 244 D N 4.462 124.829 120.400 -0.055 0.000 2.517 244 D HA 0.133 4.776 4.640 0.005 0.000 0.220 244 D C -0.615 175.657 176.300 -0.047 0.000 1.158 244 D CA -0.036 53.953 54.000 -0.018 0.000 0.992 244 D CB -0.051 40.803 40.800 0.091 0.000 1.058 244 D HN 0.362 nan 8.370 nan 0.000 0.516 245 L N 2.608 123.697 121.223 -0.223 0.000 2.421 245 L HA 0.437 4.780 4.340 0.005 0.000 0.263 245 L C -1.626 175.281 176.870 0.062 0.000 1.122 245 L CA -1.935 52.859 54.840 -0.077 0.000 0.804 245 L CB 0.444 42.440 42.059 -0.106 0.000 1.150 245 L HN 0.139 nan 8.230 nan 0.000 0.457 246 P HA 0.123 nan 4.420 nan 0.000 0.268 246 P C -0.935 176.466 177.300 0.168 0.000 1.208 246 P CA -0.044 63.126 63.100 0.118 0.000 0.777 246 P CB 0.449 32.204 31.700 0.092 0.000 0.875 247 L N 3.956 125.279 121.223 0.167 0.000 2.307 247 L HA 0.457 4.800 4.340 0.005 0.000 0.282 247 L C -1.874 175.105 176.870 0.180 0.000 1.051 247 L CA -2.111 52.844 54.840 0.191 0.000 0.804 247 L CB 0.967 43.119 42.059 0.155 0.000 1.197 247 L HN 0.288 nan 8.230 nan 0.000 0.431 248 P HA 0.121 nan 4.420 nan 0.000 0.274 248 P C -0.499 176.948 177.300 0.246 0.000 1.237 248 P CA -0.391 62.860 63.100 0.252 0.000 0.793 248 P CB 0.645 32.542 31.700 0.329 0.000 0.977 249 T N 1.833 116.505 114.554 0.197 0.000 2.897 249 T HA 0.367 4.720 4.350 0.005 0.000 0.294 249 T C -0.518 174.233 174.700 0.085 0.000 1.004 249 T CA 0.275 62.441 62.100 0.110 0.000 1.106 249 T CB -0.211 68.683 68.868 0.043 0.000 0.949 249 T HN 0.267 nan 8.240 nan 0.000 0.520 250 F N 2.311 122.110 119.950 -0.251 0.000 2.520 250 F HA 0.581 5.111 4.527 0.005 0.000 0.322 250 F C -0.167 175.374 175.800 -0.432 0.000 1.103 250 F CA -0.819 56.816 58.000 -0.609 0.000 0.926 250 F CB 1.723 40.202 39.000 -0.869 0.000 1.154 250 F HN 0.421 nan 8.300 nan 0.000 0.453 251 S N 7.661 122.495 115.700 -1.443 0.000 2.594 251 S HA 0.413 4.886 4.470 0.005 0.000 0.322 251 S C -1.988 171.841 174.600 -1.286 0.000 1.085 251 S CA -1.637 55.961 58.200 -1.003 0.000 1.116 251 S CB 1.130 64.001 63.200 -0.549 0.000 0.979 251 S HN 0.516 nan 8.310 nan 0.000 0.465 252 P HA -0.183 nan 4.420 nan 0.000 0.218 252 P C 1.548 178.638 177.300 -0.350 0.000 1.152 252 P CA 1.820 64.680 63.100 -0.400 0.000 0.857 252 P CB -0.285 31.395 31.700 -0.034 0.000 0.787 253 T N -3.692 110.682 114.554 -0.301 0.000 2.977 253 T HA -0.097 4.256 4.350 0.005 0.000 0.271 253 T C 1.575 176.149 174.700 -0.209 0.000 1.105 253 T CA 0.610 62.589 62.100 -0.201 0.000 1.116 253 T CB -0.930 67.855 68.868 -0.139 0.000 0.878 253 T HN -0.106 nan 8.240 nan 0.000 0.509 254 L N -0.313 120.716 121.223 -0.323 0.000 2.265 254 L HA 0.252 4.595 4.340 0.005 0.000 0.215 254 L C 0.525 177.319 176.870 -0.126 0.000 1.117 254 L CA 0.918 55.629 54.840 -0.214 0.000 0.782 254 L CB -1.123 40.690 42.059 -0.411 0.000 0.914 254 L HN 0.317 nan 8.230 nan 0.000 0.441 255 L N -1.724 119.358 121.223 -0.235 0.000 2.334 255 L HA 0.574 4.917 4.340 0.005 0.000 0.276 255 L C 0.818 177.438 176.870 -0.416 0.000 1.014 255 L CA -0.121 54.524 54.840 -0.325 0.000 0.815 255 L CB 1.110 42.916 42.059 -0.420 0.000 1.268 255 L HN -0.024 nan 8.230 nan 0.000 0.428 256 G N 0.204 108.700 108.800 -0.508 0.000 0.000 256 G HA2 0.452 4.415 3.960 0.005 0.000 0.000 256 G HA3 0.452 4.415 3.960 0.005 0.000 0.000 256 G C -0.514 174.031 174.900 -0.591 0.000 0.000 256 G CA -0.053 44.844 45.100 -0.339 0.000 0.000 256 G HN 0.749 nan 8.290 nan 0.000 0.000 257 D N -2.933 117.393 120.400 -0.122 0.000 2.865 257 D HA 0.082 4.725 4.640 0.005 0.000 0.347 257 D C 1.141 177.576 176.300 0.225 0.000 1.498 257 D CA 0.274 54.307 54.000 0.055 0.000 0.787 257 D CB 0.079 40.928 40.800 0.083 0.000 1.190 257 D HN 0.283 nan 8.370 nan 0.000 0.445 258 S N -1.102 114.774 115.700 0.294 0.000 2.527 258 S HA 0.214 4.687 4.470 0.005 0.000 0.227 258 S C 1.103 175.800 174.600 0.163 0.000 1.059 258 S CA -0.331 57.986 58.200 0.195 0.000 0.919 258 S CB 0.458 63.746 63.200 0.147 0.000 0.805 258 S HN -0.009 nan 8.310 nan 0.000 0.500 259 R N 0.980 121.585 120.500 0.174 0.000 2.649 259 R HA 0.388 4.731 4.340 0.005 0.000 0.270 259 R C 1.164 177.425 176.300 -0.065 0.000 1.105 259 R CA -0.209 55.842 56.100 -0.082 0.000 1.193 259 R CB -0.110 29.938 30.300 -0.420 0.000 1.120 259 R HN 0.323 nan 8.270 nan 0.000 0.561 260 M N -0.097 119.457 119.600 -0.075 0.000 2.388 260 M HA 0.023 4.506 4.480 0.005 0.000 0.265 260 M C -0.054 176.276 176.300 0.049 0.000 1.088 260 M CA 1.000 56.317 55.300 0.027 0.000 1.134 260 M CB 0.208 32.818 32.600 0.016 0.000 1.384 260 M HN 0.091 nan 8.290 nan 0.000 0.447 261 L N -0.221 120.917 121.223 -0.141 0.000 2.516 261 L HA 0.408 4.752 4.340 0.005 0.000 0.267 261 L C -1.898 174.679 176.870 -0.490 0.000 0.957 261 L CA -0.568 54.130 54.840 -0.237 0.000 0.860 261 L CB 1.396 43.381 42.059 -0.123 0.000 1.265 261 L HN -0.012 nan 8.230 nan 0.000 0.403 262 Y N 4.445 124.551 120.300 -0.323 0.000 2.364 262 Y HA 0.632 5.185 4.550 0.005 0.000 0.340 262 Y C -0.768 174.886 175.900 -0.410 0.000 0.975 262 Y CA -0.473 57.502 58.100 -0.209 0.000 1.089 262 Y CB 1.781 40.183 38.460 -0.096 0.000 1.192 262 Y HN 0.361 nan 8.280 nan 0.000 0.454 263 F N 2.261 122.332 119.950 0.202 0.000 2.460 263 F HA 0.270 4.799 4.527 0.004 0.000 0.341 263 F C -0.769 175.135 175.800 0.173 0.000 1.130 263 F CA -1.038 57.006 58.000 0.073 0.000 0.962 263 F CB 1.086 40.129 39.000 0.073 0.000 1.171 263 F HN 0.542 nan 8.300 nan 0.000 0.436 264 W N 6.196 127.501 121.300 0.008 0.000 2.349 264 W HA 0.650 5.311 4.660 0.002 0.000 0.309 264 W C -1.946 174.514 176.519 -0.099 0.000 1.083 264 W CA -1.031 56.364 57.345 0.083 0.000 1.224 264 W CB 0.754 30.242 29.460 0.046 0.000 1.256 264 W HN 0.301 nan 8.180 nan 0.000 0.461 265 F N 5.395 125.205 119.950 -0.235 0.000 2.449 265 F HA 0.293 4.822 4.527 0.004 0.000 0.342 265 F C 0.835 176.281 175.800 -0.590 0.000 1.127 265 F CA -0.801 57.030 58.000 -0.281 0.000 0.975 265 F CB 1.529 40.517 39.000 -0.021 0.000 1.146 265 F HN 0.224 nan 8.300 nan 0.000 0.444 266 S N 1.851 117.193 115.700 -0.596 0.000 2.573 266 S HA -0.000 4.473 4.470 0.005 0.000 0.277 266 S C 1.405 176.045 174.600 0.066 0.000 1.346 266 S CA -0.219 57.789 58.200 -0.321 0.000 1.034 266 S CB 0.532 63.683 63.200 -0.080 0.000 0.879 266 S HN 0.817 nan 8.310 nan 0.000 0.528 267 E N 3.315 123.523 120.200 0.013 0.000 2.274 267 E HA -0.097 4.256 4.350 0.005 0.000 0.194 267 E C 1.721 178.109 176.600 -0.353 0.000 0.996 267 E CA 0.426 56.793 56.400 -0.054 0.000 0.840 267 E CB -0.132 29.452 29.700 -0.193 0.000 0.772 267 E HN 0.618 nan 8.360 nan 0.000 0.491 268 R N 0.870 121.206 120.500 -0.274 0.000 2.159 268 R HA -0.099 4.244 4.340 0.005 0.000 0.237 268 R C 2.220 178.564 176.300 0.072 0.000 1.131 268 R CA 1.359 57.368 56.100 -0.153 0.000 0.982 268 R CB -0.284 30.067 30.300 0.086 0.000 0.868 268 R HN 0.147 nan 8.270 nan 0.000 0.453 269 V N 0.172 120.164 119.914 0.130 0.000 2.379 269 V HA -0.183 3.940 4.120 0.005 0.000 0.245 269 V C 1.834 178.005 176.094 0.128 0.000 1.044 269 V CA 1.576 63.989 62.300 0.189 0.000 1.036 269 V CB -0.496 31.421 31.823 0.157 0.000 0.664 269 V HN 0.117 nan 8.190 nan 0.000 0.453 270 F N 0.442 120.411 119.950 0.032 0.000 2.102 270 F HA -0.145 4.386 4.527 0.006 0.000 0.298 270 F C 2.440 178.289 175.800 0.082 0.000 1.105 270 F CA 2.003 60.001 58.000 -0.003 0.000 1.239 270 F CB -0.995 37.968 39.000 -0.062 0.000 0.991 270 F HN 0.245 nan 8.300 nan 0.000 0.474 271 H N -1.672 117.537 119.070 0.232 0.000 2.289 271 H HA -0.232 4.326 4.556 0.003 0.000 0.294 271 H C 2.561 177.954 175.328 0.108 0.000 1.095 271 H CA 1.242 57.369 56.048 0.132 0.000 1.256 271 H CB -0.495 29.337 29.762 0.117 0.000 1.359 271 H HN 0.198 nan 8.280 nan 0.000 0.487 272 S N 0.358 116.227 115.700 0.282 0.000 2.370 272 S HA -0.147 4.326 4.470 0.005 0.000 0.226 272 S C 2.108 176.783 174.600 0.125 0.000 1.033 272 S CA 1.146 59.504 58.200 0.263 0.000 1.011 272 S CB -0.287 63.162 63.200 0.415 0.000 0.852 272 S HN 0.228 nan 8.310 nan 0.000 0.457 273 L N 1.819 122.992 121.223 -0.083 0.000 2.027 273 L HA 0.183 4.526 4.340 0.005 0.000 0.206 273 L C 2.518 179.280 176.870 -0.181 0.000 1.074 273 L CA 2.079 56.625 54.840 -0.490 0.000 0.745 273 L CB -1.374 40.258 42.059 -0.712 0.000 0.898 273 L HN 0.310 nan 8.230 nan 0.000 0.433 274 A N -0.555 122.250 122.820 -0.025 0.000 1.908 274 A HA -0.291 4.032 4.320 0.005 0.000 0.218 274 A C 2.465 180.075 177.584 0.043 0.000 1.181 274 A CA 2.131 54.187 52.037 0.032 0.000 0.627 274 A CB -0.667 18.373 19.000 0.066 0.000 0.818 274 A HN 0.508 nan 8.150 nan 0.000 0.445 275 K N -0.076 120.353 120.400 0.048 0.000 1.985 275 K HA -0.146 4.177 4.320 0.005 0.000 0.210 275 K C 2.033 178.651 176.600 0.030 0.000 1.047 275 K CA 2.160 58.488 56.287 0.069 0.000 0.932 275 K CB -0.435 32.113 32.500 0.081 0.000 0.716 275 K HN 0.467 nan 8.250 nan 0.000 0.439 276 V N -1.468 118.428 119.914 -0.029 0.000 2.427 276 V HA -0.073 4.050 4.120 0.005 0.000 0.248 276 V C 2.290 178.231 176.094 -0.254 0.000 1.051 276 V CA 1.647 63.856 62.300 -0.151 0.000 1.048 276 V CB -1.071 30.762 31.823 0.017 0.000 0.666 276 V HN 0.322 nan 8.190 nan 0.000 0.456 277 A N 0.349 123.089 122.820 -0.133 0.000 1.908 277 A HA -0.158 4.165 4.320 0.005 0.000 0.218 277 A C 2.110 179.654 177.584 -0.067 0.000 1.181 277 A CA 2.101 54.079 52.037 -0.098 0.000 0.627 277 A CB -0.918 18.056 19.000 -0.044 0.000 0.818 277 A HN 0.700 nan 8.150 nan 0.000 0.445 278 F N 0.394 120.261 119.950 -0.138 0.000 2.113 278 F HA -0.161 4.370 4.527 0.008 0.000 0.297 278 F C 2.358 178.062 175.800 -0.161 0.000 1.103 278 F CA 2.242 60.176 58.000 -0.110 0.000 1.248 278 F CB -0.553 38.405 39.000 -0.070 0.000 0.999 278 F HN 0.270 nan 8.300 nan 0.000 0.475 279 Q N 0.448 120.051 119.800 -0.328 0.000 2.197 279 Q HA -0.253 4.090 4.340 0.005 0.000 0.207 279 Q C 1.558 177.202 176.000 -0.593 0.000 0.984 279 Q CA 2.037 57.532 55.803 -0.515 0.000 0.869 279 Q CB -0.662 27.771 28.738 -0.509 0.000 0.906 279 Q HN 0.484 nan 8.270 nan 0.000 0.426 280 D N -1.629 118.422 120.400 -0.582 0.000 2.363 280 D HA 0.060 4.703 4.640 0.005 0.000 0.226 280 D C 0.519 176.716 176.300 -0.173 0.000 1.020 280 D CA 0.905 54.728 54.000 -0.296 0.000 0.892 280 D CB -0.238 40.474 40.800 -0.147 0.000 0.900 280 D HN 0.419 nan 8.370 nan 0.000 0.531 281 G N 0.910 109.550 108.800 -0.267 0.000 2.176 281 G HA2 -0.365 3.598 3.960 0.005 0.000 0.252 281 G HA3 -0.365 3.598 3.960 0.005 0.000 0.252 281 G C 1.228 176.053 174.900 -0.125 0.000 1.024 281 G CA 0.384 45.353 45.100 -0.218 0.000 0.755 281 G HN 0.404 nan 8.290 nan 0.000 0.507 282 R N -0.887 119.552 120.500 -0.101 0.000 2.210 282 R HA 0.227 4.570 4.340 0.005 0.000 0.203 282 R C 1.268 177.560 176.300 -0.012 0.000 1.010 282 R CA 0.265 56.333 56.100 -0.054 0.000 1.008 282 R CB 0.071 30.335 30.300 -0.060 0.000 0.923 282 R HN 0.454 nan 8.270 nan 0.000 0.469 283 L N 3.235 124.473 121.223 0.025 0.000 2.391 283 L HA 0.278 4.621 4.340 0.005 0.000 0.249 283 L C 0.018 176.944 176.870 0.093 0.000 1.308 283 L CA -0.021 54.868 54.840 0.082 0.000 1.209 283 L CB -0.386 41.767 42.059 0.156 0.000 1.401 283 L HN 0.133 nan 8.230 nan 0.000 0.416 284 M N 1.198 120.832 119.600 0.055 0.000 2.682 284 M HA 0.729 5.212 4.480 0.005 0.000 0.272 284 M C -2.087 174.233 176.300 0.034 0.000 1.232 284 M CA -0.954 54.384 55.300 0.064 0.000 0.849 284 M CB 2.897 35.532 32.600 0.058 0.000 1.695 284 M HN 0.038 nan 8.290 nan 0.000 0.481 285 L N 0.794 122.037 121.223 0.033 0.000 2.506 285 L HA 0.859 5.202 4.340 0.005 0.000 0.257 285 L C -1.725 175.153 176.870 0.013 0.000 0.964 285 L CA 0.135 54.988 54.840 0.021 0.000 0.836 285 L CB 2.483 44.555 42.059 0.021 0.000 1.384 285 L HN 0.962 nan 8.230 nan 0.000 0.410 286 S N 4.085 119.794 115.700 0.014 0.000 2.575 286 S HA 0.850 5.323 4.470 0.005 0.000 0.278 286 S C -1.662 172.956 174.600 0.030 0.000 1.139 286 S CA -0.517 57.687 58.200 0.008 0.000 0.954 286 S CB 0.794 63.994 63.200 0.001 0.000 1.054 286 S HN 0.624 nan 8.310 nan 0.000 0.483 287 L N 5.395 126.642 121.223 0.041 0.000 2.376 287 L HA 0.579 4.922 4.340 0.005 0.000 0.275 287 L C 0.054 176.976 176.870 0.086 0.000 0.987 287 L CA -0.661 54.238 54.840 0.098 0.000 0.828 287 L CB 1.678 43.853 42.059 0.193 0.000 1.249 287 L HN 0.476 nan 8.230 nan 0.000 0.409 288 M N 0.522 120.175 119.600 0.088 0.000 2.474 288 M HA 0.407 4.890 4.480 0.005 0.000 0.238 288 M C 1.617 177.998 176.300 0.135 0.000 1.111 288 M CA -0.148 55.197 55.300 0.074 0.000 1.025 288 M CB 0.400 33.029 32.600 0.048 0.000 1.348 288 M HN 0.680 nan 8.290 nan 0.000 0.579 289 G N 0.552 109.422 108.800 0.117 0.000 2.875 289 G HA2 -0.290 3.673 3.960 0.005 0.000 0.220 289 G HA3 -0.290 3.673 3.960 0.005 0.000 0.220 289 G C 0.716 175.740 174.900 0.206 0.000 1.293 289 G CA 1.772 46.968 45.100 0.161 0.000 0.789 289 G HN 0.705 nan 8.290 nan 0.000 0.677 290 D N 0.648 121.134 120.400 0.143 0.000 2.312 290 D HA 0.039 4.682 4.640 0.005 0.000 0.211 290 D C 2.660 179.025 176.300 0.108 0.000 0.964 290 D CA 1.071 55.143 54.000 0.119 0.000 0.877 290 D CB -0.096 40.749 40.800 0.076 0.000 0.924 290 D HN 0.763 nan 8.370 nan 0.000 0.515 291 E N -0.205 120.069 120.200 0.124 0.000 2.107 291 E HA -0.173 4.180 4.350 0.005 0.000 0.191 291 E C 1.888 178.577 176.600 0.149 0.000 0.982 291 E CA 0.375 56.841 56.400 0.109 0.000 0.809 291 E CB -0.607 29.150 29.700 0.094 0.000 0.756 291 E HN 0.344 nan 8.360 nan 0.000 0.459 292 F N 2.897 122.898 119.950 0.085 0.000 2.069 292 F HA -0.169 4.361 4.527 0.005 0.000 0.298 292 F C 2.106 177.976 175.800 0.117 0.000 1.113 292 F CA 1.845 59.919 58.000 0.123 0.000 1.214 292 F CB 0.012 39.111 39.000 0.165 0.000 0.978 292 F HN -0.216 nan 8.300 nan 0.000 0.474 293 K N 0.468 120.874 120.400 0.011 0.000 2.044 293 K HA -0.229 4.094 4.320 0.005 0.000 0.210 293 K C 2.292 178.809 176.600 -0.138 0.000 1.049 293 K CA 1.524 57.743 56.287 -0.113 0.000 0.927 293 K CB -0.723 31.799 32.500 0.036 0.000 0.713 293 K HN 0.422 nan 8.250 nan 0.000 0.443 294 A N 1.095 123.881 122.820 -0.056 0.000 1.933 294 A HA -0.113 4.210 4.320 0.005 0.000 0.218 294 A C 2.419 179.970 177.584 -0.056 0.000 1.175 294 A CA 1.371 53.379 52.037 -0.048 0.000 0.628 294 A CB -0.625 18.367 19.000 -0.013 0.000 0.814 294 A HN 0.084 nan 8.150 nan 0.000 0.444 295 V N 0.219 120.108 119.914 -0.042 0.000 2.343 295 V HA -0.268 3.855 4.120 0.005 0.000 0.247 295 V C 2.570 178.716 176.094 0.087 0.000 1.051 295 V CA 1.985 64.311 62.300 0.044 0.000 1.036 295 V CB -0.740 31.132 31.823 0.081 0.000 0.654 295 V HN 0.579 nan 8.190 nan 0.000 0.451 296 L N -0.413 120.749 121.223 -0.102 0.000 2.046 296 L HA -0.208 4.135 4.340 0.005 0.000 0.208 296 L C 2.558 179.462 176.870 0.056 0.000 1.077 296 L CA 1.761 56.598 54.840 -0.004 0.000 0.747 296 L CB -0.692 41.194 42.059 -0.287 0.000 0.896 296 L HN 0.383 nan 8.230 nan 0.000 0.432 297 E N -0.521 119.641 120.200 -0.062 0.000 2.153 297 E HA -0.184 4.169 4.350 0.005 0.000 0.194 297 E C 2.059 178.574 176.600 -0.141 0.000 0.988 297 E CA 1.619 57.966 56.400 -0.088 0.000 0.811 297 E CB -0.100 29.545 29.700 -0.093 0.000 0.746 297 E HN 0.436 nan 8.360 nan 0.000 0.466 298 T N -0.218 114.222 114.554 -0.190 0.000 2.788 298 T HA -0.148 4.205 4.350 0.005 0.000 0.268 298 T C 0.792 175.113 174.700 -0.632 0.000 1.044 298 T CA 1.086 62.923 62.100 -0.438 0.000 1.139 298 T CB -0.200 68.332 68.868 -0.559 0.000 0.867 298 T HN 0.365 nan 8.240 nan 0.000 0.454 299 W N 0.493 121.760 121.300 -0.055 0.000 3.316 299 W HA 0.464 5.127 4.660 0.006 0.000 0.327 299 W C 1.485 177.792 176.519 -0.352 0.000 1.232 299 W CA -0.116 57.184 57.345 -0.076 0.000 1.805 299 W CB 0.189 29.703 29.460 0.089 0.000 1.090 299 W HN 0.341 nan 8.180 nan 0.000 0.654 300 G N -0.681 107.965 108.800 -0.256 0.000 2.134 300 G HA2 -0.255 3.708 3.960 0.005 0.000 0.209 300 G HA3 -0.255 3.708 3.960 0.005 0.000 0.209 300 G C -0.296 174.254 174.900 -0.584 0.000 0.993 300 G CA -0.596 44.239 45.100 -0.442 0.000 0.669 300 G HN 0.175 nan 8.290 nan 0.000 0.519 301 F N -0.311 119.673 119.950 0.058 0.000 2.631 301 F HA 0.822 5.352 4.527 0.005 0.000 0.350 301 F C 0.419 176.142 175.800 -0.129 0.000 1.080 301 F CA -1.294 56.736 58.000 0.049 0.000 1.026 301 F CB 1.743 40.852 39.000 0.182 0.000 1.347 301 F HN 0.013 nan 8.300 nan 0.000 0.501 302 N N -0.556 118.109 118.700 -0.057 0.000 2.537 302 N HA 0.080 4.823 4.740 0.005 0.000 0.281 302 N C 0.076 175.374 175.510 -0.354 0.000 1.097 302 N CA -0.105 52.843 53.050 -0.170 0.000 0.964 302 N CB 1.755 40.223 38.487 -0.031 0.000 1.588 302 N HN 0.582 nan 8.380 nan 0.000 0.511 303 T N 0.963 115.300 114.554 -0.362 0.000 2.848 303 T HA -0.163 4.190 4.350 0.005 0.000 0.269 303 T C 1.392 176.062 174.700 -0.050 0.000 1.081 303 T CA 2.028 63.978 62.100 -0.250 0.000 1.125 303 T CB -0.239 68.592 68.868 -0.062 0.000 0.848 303 T HN 0.660 nan 8.240 nan 0.000 0.503 304 N N 0.341 119.028 118.700 -0.022 0.000 2.412 304 N HA -0.000 4.743 4.740 0.005 0.000 0.184 304 N C 0.539 176.094 175.510 0.076 0.000 1.101 304 N CA 0.043 53.108 53.050 0.026 0.000 0.881 304 N CB -0.296 38.196 38.487 0.009 0.000 0.969 304 N HN 0.477 nan 8.380 nan 0.000 0.459 305 Q N 0.768 120.655 119.800 0.144 0.000 2.395 305 Q HA -0.023 4.320 4.340 0.005 0.000 0.271 305 Q C 1.025 177.146 176.000 0.203 0.000 1.026 305 Q CA -0.158 55.783 55.803 0.230 0.000 0.900 305 Q CB 1.070 30.065 28.738 0.429 0.000 1.266 305 Q HN 0.209 nan 8.270 nan 0.000 0.430 306 E N 2.770 123.038 120.200 0.113 0.000 2.070 306 E HA -0.239 4.114 4.350 0.005 0.000 0.197 306 E C 1.569 178.152 176.600 -0.028 0.000 1.004 306 E CA 1.814 58.235 56.400 0.035 0.000 0.805 306 E CB -0.119 29.589 29.700 0.014 0.000 0.744 306 E HN 0.788 nan 8.360 nan 0.000 0.451 307 I N -2.464 118.080 120.570 -0.044 0.000 2.700 307 I HA -0.170 4.003 4.170 0.005 0.000 0.261 307 I C 1.681 177.417 176.117 -0.635 0.000 1.219 307 I CA 1.073 62.209 61.300 -0.275 0.000 1.463 307 I CB -0.597 37.277 38.000 -0.209 0.000 1.092 307 I HN -0.118 nan 8.210 nan 0.000 0.452 308 F N 0.964 120.782 119.950 -0.219 0.000 2.754 308 F HA 0.109 4.639 4.527 0.005 0.000 0.297 308 F C 2.465 178.089 175.800 -0.293 0.000 1.122 308 F CA 0.217 58.055 58.000 -0.269 0.000 1.400 308 F CB -0.255 38.751 39.000 0.010 0.000 1.117 308 F HN -0.015 nan 8.300 nan 0.000 0.587 309 Q N 0.964 120.717 119.800 -0.078 0.000 2.084 309 Q HA -0.231 4.112 4.340 0.005 0.000 0.202 309 Q C 2.145 178.070 176.000 -0.125 0.000 0.978 309 Q CA 1.929 57.693 55.803 -0.065 0.000 0.844 309 Q CB -0.651 28.061 28.738 -0.042 0.000 0.898 309 Q HN 0.666 nan 8.270 nan 0.000 0.426 310 E N -0.088 119.983 120.200 -0.215 0.000 2.152 310 E HA -0.087 4.266 4.350 0.005 0.000 0.192 310 E C 1.881 178.362 176.600 -0.198 0.000 0.983 310 E CA 1.092 57.381 56.400 -0.185 0.000 0.818 310 E CB -0.047 29.539 29.700 -0.190 0.000 0.758 310 E HN 0.063 nan 8.360 nan 0.000 0.467 311 V N 1.694 121.404 119.914 -0.340 0.000 2.273 311 V HA -0.189 3.934 4.120 0.005 0.000 0.242 311 V C 2.638 178.471 176.094 -0.434 0.000 1.035 311 V CA 1.438 63.502 62.300 -0.393 0.000 1.013 311 V CB 0.055 31.561 31.823 -0.527 0.000 0.652 311 V HN 0.470 nan 8.190 nan 0.000 0.452 312 V N -0.134 119.548 119.914 -0.387 0.000 2.307 312 V HA 0.052 4.175 4.120 0.005 0.000 0.245 312 V C 1.910 178.067 176.094 0.104 0.000 1.045 312 V CA 2.574 64.712 62.300 -0.270 0.000 1.024 312 V CB -0.805 30.997 31.823 -0.034 0.000 0.651 312 V HN 0.452 nan 8.190 nan 0.000 0.449 313 G N -0.962 107.907 108.800 0.115 0.000 2.906 313 G HA2 0.297 4.260 3.960 0.005 0.000 0.200 313 G HA3 0.297 4.260 3.960 0.005 0.000 0.200 313 G C 1.444 176.389 174.900 0.075 0.000 1.101 313 G CA 0.608 45.737 45.100 0.050 0.000 0.760 313 G HN 0.748 nan 8.290 nan 0.000 0.694 314 G N 0.170 109.042 108.800 0.120 0.000 2.426 314 G HA2 0.156 4.119 3.960 0.005 0.000 0.214 314 G HA3 0.156 4.119 3.960 0.005 0.000 0.214 314 G C 0.252 175.044 174.900 -0.181 0.000 1.156 314 G CA 0.147 45.245 45.100 -0.004 0.000 0.802 314 G HN 0.241 nan 8.290 nan 0.000 0.534 315 F N 1.507 121.510 119.950 0.088 0.000 2.438 315 F HA 0.337 4.867 4.527 0.005 0.000 0.315 315 F C -1.424 174.453 175.800 0.129 0.000 1.258 315 F CA -2.524 55.533 58.000 0.095 0.000 1.180 315 F CB 1.861 40.912 39.000 0.085 0.000 1.412 315 F HN -0.013 nan 8.300 nan 0.000 0.544 316 P HA -0.089 nan 4.420 nan 0.000 0.226 316 P C 1.200 178.660 177.300 0.267 0.000 1.153 316 P CA 0.934 64.196 63.100 0.270 0.000 0.777 316 P CB 0.360 32.183 31.700 0.206 0.000 0.794 317 S N -0.599 115.229 115.700 0.214 0.000 2.607 317 S HA 0.046 4.519 4.470 0.005 0.000 0.224 317 S C 1.356 176.062 174.600 0.176 0.000 0.969 317 S CA 0.476 58.785 58.200 0.182 0.000 0.927 317 S CB -0.383 62.903 63.200 0.143 0.000 0.772 317 S HN 0.323 nan 8.310 nan 0.000 0.533 318 Q N 0.180 120.100 119.800 0.199 0.000 2.149 318 Q HA 0.390 4.733 4.340 0.005 0.000 0.221 318 Q C 0.161 176.211 176.000 0.084 0.000 0.807 318 Q CA -0.336 55.549 55.803 0.135 0.000 1.000 318 Q CB 0.954 29.772 28.738 0.132 0.000 1.157 318 Q HN 0.407 nan 8.270 nan 0.000 0.487 319 A N 1.326 124.209 122.820 0.104 0.000 2.498 319 A HA 0.170 4.493 4.320 0.005 0.000 0.239 319 A C -0.257 177.230 177.584 -0.163 0.000 1.068 319 A CA 0.510 52.506 52.037 -0.069 0.000 0.766 319 A CB 0.311 19.268 19.000 -0.071 0.000 1.003 319 A HN 0.256 nan 8.150 nan 0.000 0.497 320 Q N 0.388 119.985 119.800 -0.338 0.000 2.274 320 Q HA 0.527 4.870 4.340 0.005 0.000 0.268 320 Q C -1.329 174.472 176.000 -0.331 0.000 1.015 320 Q CA -0.514 55.148 55.803 -0.236 0.000 0.775 320 Q CB 2.420 31.064 28.738 -0.157 0.000 1.256 320 Q HN 0.702 nan 8.270 nan 0.000 0.442 321 V N 1.912 121.687 119.914 -0.233 0.000 2.638 321 V HA 0.803 4.926 4.120 0.005 0.000 0.306 321 V C -0.919 175.066 176.094 -0.183 0.000 1.052 321 V CA -0.181 61.940 62.300 -0.298 0.000 0.885 321 V CB 1.978 33.605 31.823 -0.327 0.000 0.999 321 V HN 0.856 nan 8.190 nan 0.000 0.424 322 T N 3.771 118.203 114.554 -0.202 0.000 2.863 322 T HA 0.824 5.177 4.350 0.005 0.000 0.285 322 T C -0.776 173.856 174.700 -0.113 0.000 1.009 322 T CA -0.668 61.374 62.100 -0.096 0.000 0.989 322 T CB 1.582 70.439 68.868 -0.017 0.000 1.004 322 T HN 0.874 nan 8.240 nan 0.000 0.455 323 V N 4.634 124.519 119.914 -0.049 0.000 2.555 323 V HA 0.706 4.829 4.120 0.005 0.000 0.302 323 V C -0.311 175.821 176.094 0.065 0.000 1.038 323 V CA -0.857 61.413 62.300 -0.049 0.000 0.887 323 V CB 1.255 33.049 31.823 -0.049 0.000 0.991 323 V HN 1.242 nan 8.190 nan 0.000 0.434 324 H N 0.690 119.757 119.070 -0.005 0.000 3.038 324 H HA 0.419 4.978 4.556 0.005 0.000 0.362 324 H C -1.171 174.193 175.328 0.060 0.000 1.167 324 H CA -0.764 55.299 56.048 0.026 0.000 1.197 324 H CB 1.115 30.888 29.762 0.019 0.000 1.840 324 H HN 0.634 nan 8.280 nan 0.000 0.540 325 C N 2.921 122.343 119.300 0.203 0.000 2.642 325 C HA 0.039 4.502 4.460 0.005 0.000 0.420 325 C C 2.271 177.457 174.990 0.327 0.000 1.349 325 C CA -0.121 59.011 59.018 0.191 0.000 1.821 325 C CB -0.889 27.001 27.740 0.250 0.000 2.637 325 C HN 0.731 nan 8.230 nan 0.000 0.605 326 L N 2.567 123.876 121.223 0.143 0.000 2.298 326 L HA 0.112 4.455 4.340 0.005 0.000 0.209 326 L C 1.215 178.161 176.870 0.126 0.000 1.084 326 L CA 0.974 55.915 54.840 0.168 0.000 0.816 326 L CB -0.407 41.679 42.059 0.044 0.000 0.967 326 L HN 0.757 nan 8.230 nan 0.000 0.460 327 K N -0.831 119.472 120.400 -0.160 0.000 2.430 327 K HA 0.341 4.664 4.320 0.005 0.000 0.268 327 K C -0.663 175.250 176.600 -1.145 0.000 1.043 327 K CA -0.925 55.011 56.287 -0.587 0.000 0.899 327 K CB 1.749 34.076 32.500 -0.288 0.000 1.472 327 K HN -0.218 nan 8.250 nan 0.000 0.451 328 M N 1.963 120.752 119.600 -1.351 0.000 2.252 328 M HA 0.128 4.611 4.480 0.005 0.000 0.348 328 M C -2.188 173.873 176.300 -0.399 0.000 1.334 328 M CA -0.992 53.763 55.300 -0.907 0.000 1.071 328 M CB 0.306 32.609 32.600 -0.494 0.000 1.763 328 M HN 0.376 nan 8.290 nan 0.000 0.452 329 P HA 0.115 nan 4.420 nan 0.000 0.269 329 P C -1.623 175.625 177.300 -0.086 0.000 1.215 329 P CA 0.051 63.084 63.100 -0.113 0.000 0.780 329 P CB 0.424 32.101 31.700 -0.039 0.000 0.898 330 K N 2.336 122.695 120.400 -0.069 0.000 2.367 330 K HA 0.464 4.787 4.320 0.005 0.000 0.263 330 K C -0.756 175.838 176.600 -0.009 0.000 1.000 330 K CA -0.272 55.974 56.287 -0.068 0.000 0.891 330 K CB 0.278 32.725 32.500 -0.088 0.000 1.117 330 K HN 0.402 nan 8.250 nan 0.000 0.443 331 I N 2.574 123.189 120.570 0.075 0.000 2.378 331 I HA 0.301 4.474 4.170 0.005 0.000 0.291 331 I C -0.432 175.766 176.117 0.135 0.000 0.992 331 I CA -0.679 60.672 61.300 0.086 0.000 1.154 331 I CB 2.010 40.077 38.000 0.110 0.000 1.315 331 I HN 0.501 nan 8.210 nan 0.000 0.448 332 S N 4.108 119.805 115.700 -0.005 0.000 2.542 332 S HA 0.529 5.002 4.470 0.005 0.000 0.293 332 S C -0.738 173.755 174.600 -0.178 0.000 1.089 332 S CA -0.620 57.564 58.200 -0.027 0.000 0.961 332 S CB 1.917 65.110 63.200 -0.011 0.000 1.062 332 S HN 0.588 nan 8.310 nan 0.000 0.483 333 C N 2.031 121.203 119.300 -0.214 0.000 2.358 333 C HA 0.804 5.267 4.460 0.005 0.000 0.342 333 C C 0.352 175.232 174.990 -0.183 0.000 1.234 333 C CA -0.446 58.413 59.018 -0.265 0.000 1.969 333 C CB 0.657 28.200 27.740 -0.328 0.000 2.346 333 C HN 0.883 nan 8.230 nan 0.000 0.525 334 Q N 0.873 120.567 119.800 -0.177 0.000 2.501 334 Q HA 0.343 4.686 4.340 0.005 0.000 0.288 334 Q C 0.612 176.523 176.000 -0.148 0.000 1.051 334 Q CA -0.552 55.168 55.803 -0.137 0.000 0.788 334 Q CB 1.163 29.845 28.738 -0.093 0.000 1.469 334 Q HN 0.588 nan 8.270 nan 0.000 0.416 335 N N 0.670 119.296 118.700 -0.124 0.000 2.137 335 N HA -0.223 4.520 4.740 0.005 0.000 0.190 335 N C 0.965 176.429 175.510 -0.077 0.000 1.017 335 N CA 1.842 54.830 53.050 -0.103 0.000 0.859 335 N CB -0.003 38.442 38.487 -0.069 0.000 1.002 335 N HN 0.546 nan 8.380 nan 0.000 0.428 336 K N -0.880 119.480 120.400 -0.066 0.000 2.296 336 K HA 0.179 4.502 4.320 0.005 0.000 0.200 336 K C 0.912 177.481 176.600 -0.052 0.000 1.048 336 K CA 0.988 57.246 56.287 -0.049 0.000 0.966 336 K CB 0.289 32.764 32.500 -0.041 0.000 0.754 336 K HN 0.139 nan 8.250 nan 0.000 0.466 337 G N -0.156 108.599 108.800 -0.076 0.000 2.327 337 G HA2 0.218 4.181 3.960 0.005 0.000 0.291 337 G HA3 0.218 4.181 3.960 0.005 0.000 0.291 337 G C -1.844 172.980 174.900 -0.127 0.000 1.290 337 G CA -0.761 44.289 45.100 -0.083 0.000 0.857 337 G HN -0.080 nan 8.290 nan 0.000 0.520 338 V N 0.533 120.360 119.914 -0.144 0.000 2.407 338 V HA 0.575 4.698 4.120 0.005 0.000 0.278 338 V C 0.345 176.357 176.094 -0.138 0.000 1.037 338 V CA -0.501 61.675 62.300 -0.206 0.000 0.900 338 V CB 1.113 32.765 31.823 -0.285 0.000 0.983 338 V HN 1.231 nan 8.190 nan 0.000 0.459 339 V N 7.314 127.153 119.914 -0.124 0.000 2.370 339 V HA 0.653 4.776 4.120 0.005 0.000 0.283 339 V C -0.482 175.575 176.094 -0.061 0.000 1.023 339 V CA -0.127 62.129 62.300 -0.073 0.000 0.857 339 V CB 1.769 33.561 31.823 -0.051 0.000 0.985 339 V HN 0.577 nan 8.190 nan 0.000 0.443 340 V N 6.137 126.026 119.914 -0.041 0.000 2.384 340 V HA 0.473 4.596 4.120 0.005 0.000 0.287 340 V C -0.540 175.543 176.094 -0.018 0.000 1.020 340 V CA -0.431 61.853 62.300 -0.027 0.000 0.850 340 V CB 1.590 33.401 31.823 -0.020 0.000 0.987 340 V HN 0.997 nan 8.190 nan 0.000 0.436 341 D N 3.561 123.947 120.400 -0.023 0.000 2.441 341 D HA 0.416 5.059 4.640 0.005 0.000 0.231 341 D C -0.461 175.817 176.300 -0.036 0.000 1.073 341 D CA -0.057 53.928 54.000 -0.024 0.000 0.850 341 D CB 1.413 42.195 40.800 -0.030 0.000 1.062 341 D HN 0.467 nan 8.370 nan 0.000 0.524 342 S N 1.916 117.600 115.700 -0.027 0.000 2.454 342 S HA 0.430 4.903 4.470 0.005 0.000 0.306 342 S C -0.360 174.219 174.600 -0.034 0.000 1.100 342 S CA -0.846 57.333 58.200 -0.036 0.000 1.087 342 S CB 1.595 64.783 63.200 -0.020 0.000 1.019 342 S HN 0.354 nan 8.310 nan 0.000 0.480 343 S N 2.837 118.506 115.700 -0.052 0.000 2.420 343 S HA 0.579 5.052 4.470 0.005 0.000 0.313 343 S C -0.179 174.397 174.600 -0.040 0.000 1.079 343 S CA -0.648 57.527 58.200 -0.041 0.000 1.104 343 S CB -0.482 62.687 63.200 -0.053 0.000 0.969 343 S HN 0.663 nan 8.310 nan 0.000 0.471 344 V N 3.298 123.190 119.914 -0.037 0.000 3.019 344 V HA 0.859 4.982 4.120 0.005 0.000 0.317 344 V C -0.575 175.457 176.094 -0.105 0.000 1.094 344 V CA -1.248 61.008 62.300 -0.073 0.000 1.000 344 V CB 1.827 33.615 31.823 -0.057 0.000 1.060 344 V HN 0.802 nan 8.190 nan 0.000 0.443 345 M N 3.551 123.007 119.600 -0.240 0.000 2.134 345 M HA 0.702 5.185 4.480 0.005 0.000 0.310 345 M C -1.390 174.797 176.300 -0.189 0.000 0.966 345 M CA -0.400 54.760 55.300 -0.233 0.000 0.922 345 M CB 1.177 33.507 32.600 -0.450 0.000 1.537 345 M HN 0.595 nan 8.290 nan 0.000 0.424 346 V N 5.348 125.235 119.914 -0.044 0.000 2.370 346 V HA 0.554 4.677 4.120 0.005 0.000 0.283 346 V C -0.334 175.721 176.094 -0.066 0.000 1.023 346 V CA -0.699 61.534 62.300 -0.113 0.000 0.857 346 V CB 1.380 33.120 31.823 -0.137 0.000 0.985 346 V HN 0.754 nan 8.190 nan 0.000 0.443 347 K N 4.173 124.438 120.400 -0.226 0.000 2.323 347 K HA 0.696 5.019 4.320 0.005 0.000 0.259 347 K C -1.434 174.966 176.600 -0.333 0.000 0.947 347 K CA -0.260 55.956 56.287 -0.118 0.000 0.819 347 K CB 1.766 34.239 32.500 -0.046 0.000 1.109 347 K HN 0.471 nan 8.250 nan 0.000 0.429 348 F N 2.741 122.711 119.950 0.034 0.000 2.508 348 F HA 0.556 5.085 4.527 0.004 0.000 0.325 348 F C -0.395 175.271 175.800 -0.223 0.000 1.090 348 F CA -0.914 56.996 58.000 -0.150 0.000 0.945 348 F CB 1.408 40.449 39.000 0.068 0.000 1.156 348 F HN 0.141 nan 8.300 nan 0.000 0.463 349 L N 4.044 125.050 121.223 -0.362 0.000 2.580 349 L HA 0.421 4.764 4.340 0.005 0.000 0.266 349 L C -1.952 174.614 176.870 -0.505 0.000 0.955 349 L CA -0.325 54.355 54.840 -0.267 0.000 0.886 349 L CB 1.400 43.374 42.059 -0.142 0.000 1.263 349 L HN 0.580 nan 8.230 nan 0.000 0.406 350 F N 5.755 125.751 119.950 0.076 0.000 2.453 350 F HA 0.373 4.903 4.527 0.005 0.000 0.358 350 F C -1.977 173.867 175.800 0.072 0.000 1.129 350 F CA -1.788 56.246 58.000 0.056 0.000 1.200 350 F CB 1.056 40.093 39.000 0.061 0.000 1.431 350 F HN 0.258 nan 8.300 nan 0.000 0.503 351 P HA 0.199 nan 4.420 nan 0.000 0.272 351 P C -0.389 176.952 177.300 0.068 0.000 1.223 351 P CA -0.305 62.841 63.100 0.077 0.000 0.784 351 P CB 1.184 32.882 31.700 -0.004 0.000 0.923 352 R N 2.137 122.652 120.500 0.024 0.000 2.854 352 R HA 0.395 4.738 4.340 0.005 0.000 0.271 352 R C -1.814 174.407 176.300 -0.133 0.000 0.996 352 R CA -2.372 53.721 56.100 -0.012 0.000 0.961 352 R CB -0.779 29.599 30.300 0.132 0.000 1.182 352 R HN 0.202 nan 8.270 nan 0.000 0.479 353 P HA -0.189 nan 4.420 nan 0.000 0.218 353 P C -0.011 177.258 177.300 -0.051 0.000 1.154 353 P CA 1.522 64.522 63.100 -0.166 0.000 0.872 353 P CB 0.134 31.787 31.700 -0.078 0.000 0.790 354 D N -1.150 119.269 120.400 0.031 0.000 2.280 354 D HA 0.042 4.685 4.640 0.005 0.000 0.243 354 D C 1.001 177.299 176.300 -0.003 0.000 1.129 354 D CA -0.017 54.008 54.000 0.041 0.000 0.848 354 D CB 0.526 41.420 40.800 0.158 0.000 1.107 354 D HN 0.055 nan 8.370 nan 0.000 0.471 355 Q N 2.317 122.086 119.800 -0.051 0.000 2.364 355 Q HA -0.170 4.173 4.340 0.005 0.000 0.207 355 Q C 1.373 177.316 176.000 -0.094 0.000 0.970 355 Q CA 0.565 56.335 55.803 -0.055 0.000 0.888 355 Q CB 0.209 28.916 28.738 -0.052 0.000 0.951 355 Q HN 0.656 nan 8.270 nan 0.000 0.469 356 Q N 0.102 119.777 119.800 -0.208 0.000 2.224 356 Q HA -0.157 4.186 4.340 0.005 0.000 0.203 356 Q C 0.898 176.690 176.000 -0.347 0.000 0.970 356 Q CA 0.977 56.579 55.803 -0.334 0.000 0.865 356 Q CB 0.300 28.727 28.738 -0.519 0.000 0.922 356 Q HN 0.491 nan 8.270 nan 0.000 0.445 357 H N -0.789 118.297 119.070 0.027 0.000 2.549 357 H HA 0.274 4.833 4.556 0.005 0.000 0.279 357 H C -0.119 175.248 175.328 0.066 0.000 1.018 357 H CA -0.048 56.026 56.048 0.043 0.000 1.175 357 H CB 0.574 30.360 29.762 0.041 0.000 1.485 357 H HN 0.015 nan 8.280 nan 0.000 0.543 358 S N 1.704 117.476 115.700 0.120 0.000 2.510 358 S HA 0.114 4.587 4.470 0.005 0.000 0.279 358 S C 0.669 175.370 174.600 0.168 0.000 1.284 358 S CA -0.384 57.896 58.200 0.133 0.000 1.059 358 S CB 1.353 64.598 63.200 0.074 0.000 0.901 358 S HN -0.000 nan 8.310 nan 0.000 0.491 359 V N 3.301 123.363 119.914 0.247 0.000 2.479 359 V HA 0.453 4.576 4.120 0.005 0.000 0.281 359 V C 0.445 176.755 176.094 0.360 0.000 1.031 359 V CA -0.129 62.367 62.300 0.327 0.000 1.038 359 V CB 0.236 32.275 31.823 0.360 0.000 0.981 359 V HN 0.952 nan 8.190 nan 0.000 0.478 360 A N 5.791 128.799 122.820 0.314 0.000 2.499 360 A HA 0.750 5.073 4.320 0.005 0.000 0.280 360 A C -1.358 176.359 177.584 0.222 0.000 1.135 360 A CA -0.400 51.779 52.037 0.238 0.000 0.744 360 A CB 0.644 19.699 19.000 0.091 0.000 1.213 360 A HN 0.641 nan 8.150 nan 0.000 0.434 361 Y N 0.630 121.078 120.300 0.245 0.000 2.485 361 Y HA 0.712 5.265 4.550 0.005 0.000 0.345 361 Y C 0.788 176.865 175.900 0.295 0.000 0.998 361 Y CA -0.104 58.148 58.100 0.253 0.000 1.059 361 Y CB 2.609 41.308 38.460 0.397 0.000 1.234 361 Y HN 0.693 nan 8.280 nan 0.000 0.461 362 T N -0.250 114.449 114.554 0.243 0.000 2.861 362 T HA 0.684 5.037 4.350 0.005 0.000 0.287 362 T C -1.346 173.445 174.700 0.152 0.000 1.003 362 T CA -0.645 61.599 62.100 0.240 0.000 0.977 362 T CB 0.570 69.492 68.868 0.089 0.000 0.996 362 T HN 0.253 nan 8.240 nan 0.000 0.448 363 F N 1.473 121.517 119.950 0.158 0.000 2.445 363 F HA 0.420 4.949 4.527 0.004 0.000 0.348 363 F C 0.623 176.450 175.800 0.046 0.000 1.125 363 F CA -0.883 57.195 58.000 0.131 0.000 0.983 363 F CB 1.801 40.906 39.000 0.174 0.000 1.198 363 F HN 0.624 nan 8.300 nan 0.000 0.436 364 E N 4.055 124.339 120.200 0.141 0.000 2.152 364 E HA 0.375 4.728 4.350 0.005 0.000 0.285 364 E C -0.752 175.908 176.600 0.099 0.000 1.043 364 E CA -0.265 56.182 56.400 0.079 0.000 0.839 364 E CB 1.048 30.768 29.700 0.034 0.000 1.069 364 E HN 0.645 nan 8.360 nan 0.000 0.399 365 E N 2.254 122.504 120.200 0.083 0.000 2.413 365 E HA 0.252 4.605 4.350 0.005 0.000 0.277 365 E C -1.557 175.065 176.600 0.037 0.000 0.958 365 E CA -0.959 55.486 56.400 0.076 0.000 0.779 365 E CB 1.477 31.244 29.700 0.112 0.000 1.278 365 E HN 0.241 nan 8.360 nan 0.000 0.456 366 D N 1.379 121.798 120.400 0.031 0.000 2.264 366 D HA 0.374 5.017 4.640 0.005 0.000 0.250 366 D C -0.498 175.820 176.300 0.031 0.000 1.113 366 D CA -0.034 53.975 54.000 0.017 0.000 0.871 366 D CB 0.880 41.685 40.800 0.008 0.000 1.167 366 D HN 0.269 nan 8.370 nan 0.000 0.447 367 I N 1.717 122.300 120.570 0.022 0.000 2.418 367 I HA 0.236 4.409 4.170 0.005 0.000 0.287 367 I C -0.611 175.526 176.117 0.034 0.000 1.008 367 I CA -0.959 60.364 61.300 0.039 0.000 1.104 367 I CB 1.873 39.882 38.000 0.015 0.000 1.264 367 I HN -0.055 nan 8.210 nan 0.000 0.438 368 V N 4.666 124.614 119.914 0.057 0.000 2.417 368 V HA 0.544 4.667 4.120 0.005 0.000 0.291 368 V C 0.114 176.251 176.094 0.072 0.000 1.024 368 V CA -0.455 61.869 62.300 0.039 0.000 0.861 368 V CB 1.721 33.556 31.823 0.020 0.000 0.985 368 V HN 0.839 nan 8.190 nan 0.000 0.436 369 T N 0.248 114.829 114.554 0.044 0.000 2.848 369 T HA 0.554 4.907 4.350 0.005 0.000 0.285 369 T C -0.363 174.349 174.700 0.020 0.000 0.995 369 T CA -0.624 61.510 62.100 0.056 0.000 0.970 369 T CB 1.589 70.474 68.868 0.028 0.000 0.976 369 T HN 0.471 nan 8.240 nan 0.000 0.441 370 T N 2.926 117.496 114.554 0.027 0.000 2.749 370 T HA 0.589 4.942 4.350 0.005 0.000 0.287 370 T C -0.328 174.371 174.700 -0.001 0.000 0.970 370 T CA -0.516 61.581 62.100 -0.005 0.000 0.980 370 T CB 0.909 69.771 68.868 -0.009 0.000 0.924 370 T HN 0.636 nan 8.240 nan 0.000 0.456 371 V N 4.442 124.340 119.914 -0.026 0.000 2.604 371 V HA 0.450 4.573 4.120 0.005 0.000 0.305 371 V C -0.305 175.772 176.094 -0.029 0.000 1.043 371 V CA -0.935 61.353 62.300 -0.020 0.000 0.888 371 V CB 2.005 33.810 31.823 -0.030 0.000 0.995 371 V HN 0.803 nan 8.190 nan 0.000 0.429 372 Q N 2.226 122.024 119.800 -0.004 0.000 2.301 372 Q HA 0.870 5.213 4.340 0.005 0.000 0.267 372 Q C -0.633 175.385 176.000 0.030 0.000 1.035 372 Q CA -0.758 55.046 55.803 0.003 0.000 0.856 372 Q CB 2.816 31.561 28.738 0.012 0.000 1.337 372 Q HN 0.879 nan 8.270 nan 0.000 0.450 373 A N 0.891 123.735 122.820 0.040 0.000 2.454 373 A HA 0.790 5.113 4.320 0.005 0.000 0.302 373 A C -1.071 176.585 177.584 0.119 0.000 1.079 373 A CA -0.537 51.546 52.037 0.078 0.000 0.731 373 A CB 2.243 21.269 19.000 0.044 0.000 1.299 373 A HN 0.483 nan 8.150 nan 0.000 0.413 374 S N -0.631 115.183 115.700 0.190 0.000 2.549 374 S HA 0.690 5.163 4.470 0.005 0.000 0.280 374 S C -2.022 172.791 174.600 0.355 0.000 1.109 374 S CA -0.273 58.066 58.200 0.232 0.000 0.905 374 S CB 1.236 64.556 63.200 0.200 0.000 1.081 374 S HN 0.780 nan 8.310 nan 0.000 0.477 375 Y N 1.942 122.355 120.300 0.188 0.000 2.391 375 Y HA 0.687 5.240 4.550 0.005 0.000 0.341 375 Y C -0.485 175.542 175.900 0.211 0.000 0.965 375 Y CA -0.132 58.086 58.100 0.198 0.000 1.067 375 Y CB 1.772 40.306 38.460 0.123 0.000 1.199 375 Y HN 0.578 nan 8.280 nan 0.000 0.450 376 S N 5.411 121.042 115.700 -0.114 0.000 2.563 376 S HA 0.323 4.796 4.470 0.005 0.000 0.279 376 S C -1.449 173.121 174.600 -0.050 0.000 1.155 376 S CA -0.881 57.336 58.200 0.029 0.000 0.928 376 S CB 0.672 63.942 63.200 0.116 0.000 1.107 376 S HN 0.734 nan 8.310 nan 0.000 0.462 377 K N 3.428 123.807 120.400 -0.036 0.000 3.156 377 K HA -0.180 4.143 4.320 0.005 0.000 0.266 377 K C -0.165 176.363 176.600 -0.121 0.000 0.966 377 K CA 1.051 57.324 56.287 -0.024 0.000 0.719 377 K CB -1.470 31.057 32.500 0.045 0.000 1.333 377 K HN 0.872 nan 8.250 nan 0.000 0.468 378 K N -1.776 118.460 120.400 -0.273 0.000 3.130 378 K HA -0.238 4.085 4.320 0.005 0.000 0.282 378 K C -0.482 175.897 176.600 -0.369 0.000 1.145 378 K CA 1.532 57.660 56.287 -0.264 0.000 0.831 378 K CB -0.781 31.722 32.500 0.004 0.000 1.226 378 K HN 0.440 nan 8.250 nan 0.000 0.478 379 K N 0.699 120.730 120.400 -0.614 0.000 2.371 379 K HA 0.410 4.733 4.320 0.005 0.000 0.251 379 K C -0.529 175.749 176.600 -0.536 0.000 0.934 379 K CA -0.935 55.051 56.287 -0.502 0.000 0.798 379 K CB 2.054 34.208 32.500 -0.578 0.000 1.204 379 K HN -0.041 nan 8.250 nan 0.000 0.427 380 L N 3.736 124.813 121.223 -0.243 0.000 2.331 380 L HA 0.364 4.707 4.340 0.005 0.000 0.278 380 L C -1.297 175.376 176.870 -0.327 0.000 1.106 380 L CA 0.046 54.855 54.840 -0.051 0.000 0.824 380 L CB 0.051 42.159 42.059 0.081 0.000 1.142 380 L HN 0.559 nan 8.230 nan 0.000 0.443 381 F N 5.259 125.241 119.950 0.054 0.000 2.467 381 F HA 0.460 4.989 4.527 0.004 0.000 0.336 381 F C -0.027 175.799 175.800 0.042 0.000 1.123 381 F CA -0.549 57.476 58.000 0.041 0.000 0.964 381 F CB 1.594 40.609 39.000 0.025 0.000 1.136 381 F HN 0.227 nan 8.300 nan 0.000 0.447 382 L N 2.585 123.926 121.223 0.197 0.000 2.317 382 L HA 0.580 4.923 4.340 0.005 0.000 0.281 382 L C -0.095 176.847 176.870 0.121 0.000 1.024 382 L CA -0.586 54.326 54.840 0.119 0.000 0.810 382 L CB 1.947 44.044 42.059 0.063 0.000 1.240 382 L HN 0.526 nan 8.230 nan 0.000 0.427 383 S N 2.494 118.244 115.700 0.083 0.000 2.500 383 S HA 0.557 5.030 4.470 0.005 0.000 0.301 383 S C -0.941 173.686 174.600 0.045 0.000 1.092 383 S CA -0.555 57.687 58.200 0.070 0.000 1.030 383 S CB 1.446 64.683 63.200 0.060 0.000 1.031 383 S HN 0.402 nan 8.310 nan 0.000 0.483 384 L N 6.000 127.250 121.223 0.045 0.000 2.268 384 L HA 0.449 4.792 4.340 0.005 0.000 0.289 384 L C 0.545 177.450 176.870 0.059 0.000 1.064 384 L CA -0.077 54.791 54.840 0.047 0.000 0.824 384 L CB 0.839 42.922 42.059 0.040 0.000 1.202 384 L HN 0.801 nan 8.230 nan 0.000 0.433 385 L N 3.907 125.158 121.223 0.046 0.000 2.095 385 L HA 0.221 4.564 4.340 0.005 0.000 0.204 385 L C 0.334 177.232 176.870 0.046 0.000 1.080 385 L CA 1.271 56.132 54.840 0.035 0.000 0.759 385 L CB -0.231 41.835 42.059 0.012 0.000 0.914 385 L HN 0.887 nan 8.230 nan 0.000 0.439 386 D N -2.658 117.781 120.400 0.065 0.000 2.725 386 D HA 0.232 4.875 4.640 0.005 0.000 0.292 386 D C -0.988 175.409 176.300 0.161 0.000 1.288 386 D CA -0.401 53.644 54.000 0.075 0.000 0.784 386 D CB 1.103 41.881 40.800 -0.037 0.000 1.308 386 D HN -0.052 nan 8.370 nan 0.000 0.429 387 F N -1.877 118.055 119.950 -0.030 0.000 2.668 387 F HA 0.650 5.180 4.527 0.006 0.000 0.309 387 F C -1.805 173.978 175.800 -0.028 0.000 1.117 387 F CA -0.904 57.076 58.000 -0.033 0.000 0.951 387 F CB 1.792 40.769 39.000 -0.039 0.000 1.323 387 F HN 0.340 nan 8.300 nan 0.000 0.451 388 Q N 3.412 123.248 119.800 0.061 0.000 2.315 388 Q HA 0.596 4.939 4.340 0.005 0.000 0.273 388 Q C -1.656 174.426 176.000 0.135 0.000 1.053 388 Q CA -0.686 55.108 55.803 -0.016 0.000 0.817 388 Q CB 2.960 31.658 28.738 -0.067 0.000 1.326 388 Q HN 0.925 nan 8.270 nan 0.000 0.423 389 I N 2.146 122.798 120.570 0.137 0.000 2.418 389 I HA 0.365 4.538 4.170 0.005 0.000 0.287 389 I C -0.492 175.672 176.117 0.079 0.000 1.008 389 I CA -0.676 60.702 61.300 0.130 0.000 1.104 389 I CB 2.231 40.334 38.000 0.173 0.000 1.264 389 I HN 0.766 nan 8.210 nan 0.000 0.438 390 T N 3.498 118.090 114.554 0.064 0.000 2.934 390 T HA 0.477 4.830 4.350 0.005 0.000 0.328 390 T C -2.715 172.023 174.700 0.064 0.000 1.068 390 T CA -2.211 59.921 62.100 0.053 0.000 1.018 390 T CB 1.225 70.111 68.868 0.030 0.000 1.009 390 T HN 0.124 nan 8.240 nan 0.000 0.471 391 P HA 0.303 nan 4.420 nan 0.000 0.269 391 P C 0.488 177.825 177.300 0.061 0.000 1.209 391 P CA -0.511 62.651 63.100 0.103 0.000 0.776 391 P CB 0.809 32.590 31.700 0.136 0.000 0.876 392 K N -0.104 120.327 120.400 0.052 0.000 2.403 392 K HA 0.166 4.490 4.320 0.005 0.000 0.199 392 K C 0.352 176.960 176.600 0.013 0.000 1.199 392 K CA 0.963 57.266 56.287 0.027 0.000 0.924 392 K CB 0.206 32.718 32.500 0.021 0.000 1.137 392 K HN 0.536 nan 8.250 nan 0.000 0.510 393 T N 0.358 114.917 114.554 0.009 0.000 3.842 393 T HA 0.341 4.694 4.350 0.005 0.000 0.336 393 T C -1.393 173.273 174.700 -0.057 0.000 0.900 393 T CA -0.556 61.532 62.100 -0.020 0.000 1.022 393 T CB 0.544 69.401 68.868 -0.018 0.000 1.068 393 T HN -0.224 nan 8.240 nan 0.000 0.464 394 V N 4.413 124.259 119.914 -0.114 0.000 2.481 394 V HA 0.754 4.877 4.120 0.005 0.000 0.286 394 V C 0.263 176.231 176.094 -0.211 0.000 1.042 394 V CA -0.527 61.618 62.300 -0.258 0.000 0.928 394 V CB 1.812 33.406 31.823 -0.382 0.000 0.986 394 V HN 1.008 nan 8.190 nan 0.000 0.462 395 S N 4.256 119.808 115.700 -0.247 0.000 2.557 395 S HA 0.470 4.943 4.470 0.005 0.000 0.291 395 S C -0.556 173.762 174.600 -0.469 0.000 1.116 395 S CA -0.943 57.104 58.200 -0.254 0.000 0.992 395 S CB 1.329 64.439 63.200 -0.150 0.000 1.028 395 S HN 0.920 nan 8.310 nan 0.000 0.484 396 N N 2.487 120.833 118.700 -0.590 0.000 2.456 396 N HA 0.295 5.038 4.740 0.005 0.000 0.288 396 N C -0.426 174.879 175.510 -0.341 0.000 1.059 396 N CA -0.602 51.984 53.050 -0.774 0.000 0.946 396 N CB 1.216 39.201 38.487 -0.837 0.000 1.150 396 N HN 0.278 nan 8.380 nan 0.000 0.479 397 L N 0.525 121.606 121.223 -0.237 0.000 2.590 397 L HA 0.156 4.499 4.340 0.005 0.000 0.227 397 L C 1.061 177.882 176.870 -0.082 0.000 1.099 397 L CA 0.714 55.484 54.840 -0.117 0.000 0.872 397 L CB -0.642 41.380 42.059 -0.063 0.000 1.088 397 L HN 0.865 nan 8.230 nan 0.000 0.479 398 T N -6.052 108.454 114.554 -0.079 0.000 2.831 398 T HA 0.317 4.670 4.350 0.005 0.000 0.287 398 T C 0.765 175.440 174.700 -0.042 0.000 1.070 398 T CA -0.633 61.439 62.100 -0.048 0.000 1.010 398 T CB 1.483 70.343 68.868 -0.014 0.000 1.264 398 T HN -0.107 nan 8.240 nan 0.000 0.532 399 E N 0.428 120.615 120.200 -0.022 0.000 2.418 399 E HA 0.022 4.375 4.350 0.005 0.000 0.197 399 E C 0.700 177.326 176.600 0.044 0.000 1.026 399 E CA 0.323 56.724 56.400 0.001 0.000 0.862 399 E CB -0.099 29.603 29.700 0.003 0.000 0.799 399 E HN 0.531 nan 8.360 nan 0.000 0.518 400 S N 1.539 117.282 115.700 0.071 0.000 3.919 400 S HA 0.135 4.608 4.470 0.005 0.000 0.245 400 S C -0.340 174.359 174.600 0.165 0.000 1.344 400 S CA -0.264 58.010 58.200 0.123 0.000 0.896 400 S CB -0.473 62.819 63.200 0.153 0.000 1.557 400 S HN 0.219 nan 8.310 nan 0.000 0.468 401 S N 1.836 117.625 115.700 0.147 0.000 2.537 401 S HA 0.813 5.286 4.470 0.005 0.000 0.270 401 S C -0.836 173.861 174.600 0.162 0.000 1.142 401 S CA -0.588 57.750 58.200 0.230 0.000 0.870 401 S CB 1.879 65.151 63.200 0.119 0.000 1.112 401 S HN 0.691 nan 8.310 nan 0.000 0.466 402 S N 1.172 116.985 115.700 0.189 0.000 2.565 402 S HA 0.461 4.934 4.470 0.005 0.000 0.274 402 S C 0.215 174.868 174.600 0.089 0.000 1.144 402 S CA -0.659 57.601 58.200 0.099 0.000 0.849 402 S CB 1.303 64.532 63.200 0.049 0.000 1.103 402 S HN 0.587 nan 8.310 nan 0.000 0.455 403 E N 1.878 122.115 120.200 0.062 0.000 2.130 403 E HA -0.137 4.216 4.350 0.005 0.000 0.196 403 E C 2.147 178.766 176.600 0.031 0.000 0.998 403 E CA 2.054 58.485 56.400 0.051 0.000 0.806 403 E CB -0.496 29.225 29.700 0.036 0.000 0.738 403 E HN 0.811 nan 8.360 nan 0.000 0.459 404 S N 0.034 115.742 115.700 0.013 0.000 2.414 404 S HA -0.021 4.452 4.470 0.005 0.000 0.227 404 S C 2.189 176.776 174.600 -0.023 0.000 1.022 404 S CA 0.397 58.594 58.200 -0.004 0.000 0.958 404 S CB -0.368 62.820 63.200 -0.021 0.000 0.797 404 S HN 0.149 nan 8.310 nan 0.000 0.493 405 I N 1.784 122.327 120.570 -0.045 0.000 2.252 405 I HA -0.190 3.983 4.170 0.005 0.000 0.245 405 I C 3.060 179.056 176.117 -0.201 0.000 1.102 405 I CA 1.687 62.920 61.300 -0.112 0.000 1.385 405 I CB -0.357 37.596 38.000 -0.077 0.000 1.064 405 I HN 0.435 nan 8.210 nan 0.000 0.414 406 Q N 0.126 119.811 119.800 -0.191 0.000 2.170 406 Q HA -0.237 4.106 4.340 0.005 0.000 0.203 406 Q C 2.263 178.294 176.000 0.051 0.000 0.976 406 Q CA 2.012 57.721 55.803 -0.156 0.000 0.858 406 Q CB -0.029 28.737 28.738 0.048 0.000 0.907 406 Q HN 0.429 nan 8.270 nan 0.000 0.433 407 S N -0.681 115.036 115.700 0.027 0.000 2.436 407 S HA -0.093 4.380 4.470 0.005 0.000 0.228 407 S C 1.589 176.169 174.600 -0.033 0.000 1.014 407 S CA 0.308 58.521 58.200 0.022 0.000 0.950 407 S CB -0.395 62.819 63.200 0.024 0.000 0.784 407 S HN 0.524 nan 8.310 nan 0.000 0.504 408 F N 1.848 121.685 119.950 -0.189 0.000 2.095 408 F HA -0.013 4.518 4.527 0.006 0.000 0.298 408 F C 1.805 177.420 175.800 -0.308 0.000 1.104 408 F CA 1.272 59.113 58.000 -0.264 0.000 1.232 408 F CB -0.399 38.417 39.000 -0.307 0.000 0.987 408 F HN 0.224 nan 8.300 nan 0.000 0.475 409 L N 0.243 121.307 121.223 -0.266 0.000 2.046 409 L HA -0.208 4.135 4.340 0.005 0.000 0.208 409 L C 2.452 178.978 176.870 -0.573 0.000 1.077 409 L CA 1.709 56.218 54.840 -0.553 0.000 0.747 409 L CB -1.717 39.940 42.059 -0.670 0.000 0.896 409 L HN 0.249 nan 8.230 nan 0.000 0.432 410 Q N -0.437 119.111 119.800 -0.421 0.000 2.096 410 Q HA -0.165 4.178 4.340 0.005 0.000 0.204 410 Q C 2.286 178.126 176.000 -0.266 0.000 0.982 410 Q CA 2.199 57.806 55.803 -0.327 0.000 0.850 410 Q CB -0.268 28.453 28.738 -0.029 0.000 0.901 410 Q HN 0.400 nan 8.270 nan 0.000 0.422 411 S N -0.471 115.055 115.700 -0.290 0.000 2.447 411 S HA -0.070 4.403 4.470 0.005 0.000 0.233 411 S C 1.662 176.031 174.600 -0.385 0.000 1.006 411 S CA 1.135 59.151 58.200 -0.307 0.000 0.957 411 S CB -0.228 62.765 63.200 -0.345 0.000 0.773 411 S HN 0.501 nan 8.310 nan 0.000 0.507 412 M N 0.832 120.165 119.600 -0.444 0.000 2.193 412 M HA 0.092 4.575 4.480 0.005 0.000 0.265 412 M C 1.690 177.878 176.300 -0.188 0.000 1.071 412 M CA 1.218 56.313 55.300 -0.342 0.000 1.140 412 M CB -0.151 32.287 32.600 -0.269 0.000 1.369 412 M HN 0.213 nan 8.290 nan 0.000 0.423 413 I N -0.171 120.298 120.570 -0.168 0.000 2.194 413 I HA -0.327 3.846 4.170 0.005 0.000 0.246 413 I C 2.018 178.006 176.117 -0.216 0.000 1.093 413 I CA 1.696 62.910 61.300 -0.144 0.000 1.355 413 I CB -0.637 37.254 38.000 -0.181 0.000 1.046 413 I HN 0.358 nan 8.210 nan 0.000 0.413 414 T N 0.310 114.715 114.554 -0.249 0.000 2.770 414 T HA -0.013 4.340 4.350 0.005 0.000 0.258 414 T C 1.949 176.420 174.700 -0.381 0.000 1.039 414 T CA 1.335 63.235 62.100 -0.333 0.000 1.143 414 T CB -0.209 68.525 68.868 -0.224 0.000 0.866 414 T HN 0.445 nan 8.240 nan 0.000 0.428 415 A N 0.202 122.848 122.820 -0.291 0.000 2.021 415 A HA 0.224 4.547 4.320 0.005 0.000 0.216 415 A C 2.240 179.644 177.584 -0.301 0.000 1.163 415 A CA 0.805 52.699 52.037 -0.240 0.000 0.676 415 A CB -0.159 18.748 19.000 -0.155 0.000 0.818 415 A HN 0.352 nan 8.150 nan 0.000 0.453 416 V N -1.842 117.880 119.914 -0.320 0.000 2.948 416 V HA 0.132 4.255 4.120 0.005 0.000 0.234 416 V C 2.634 178.483 176.094 -0.408 0.000 1.205 416 V CA 0.820 62.881 62.300 -0.399 0.000 1.234 416 V CB -0.994 30.760 31.823 -0.116 0.000 1.020 416 V HN 0.450 nan 8.190 nan 0.000 0.491 417 G N 1.036 109.695 108.800 -0.235 0.000 2.586 417 G HA2 -0.271 3.692 3.960 0.005 0.000 0.218 417 G HA3 -0.271 3.692 3.960 0.005 0.000 0.218 417 G C 1.525 176.289 174.900 -0.227 0.000 1.216 417 G CA 1.634 46.629 45.100 -0.175 0.000 0.786 417 G HN 0.428 nan 8.290 nan 0.000 0.583 418 I N 1.713 122.108 120.570 -0.292 0.000 2.099 418 I HA -0.138 4.035 4.170 0.005 0.000 0.239 418 I C -0.109 175.829 176.117 -0.299 0.000 1.066 418 I CA 1.404 62.531 61.300 -0.287 0.000 1.324 418 I CB -0.923 36.851 38.000 -0.377 0.000 1.037 418 I HN 0.192 nan 8.210 nan 0.000 0.401 419 P HA -0.166 nan 4.420 nan 0.000 0.220 419 P C 1.312 178.398 177.300 -0.357 0.000 1.148 419 P CA 1.196 63.959 63.100 -0.563 0.000 0.803 419 P CB 0.069 31.070 31.700 -1.164 0.000 0.782 420 E N -0.022 119.967 120.200 -0.353 0.000 2.028 420 E HA -0.123 4.230 4.350 0.005 0.000 0.191 420 E C 1.900 178.553 176.600 0.089 0.000 0.988 420 E CA 1.198 57.658 56.400 0.101 0.000 0.799 420 E CB -1.291 28.471 29.700 0.103 0.000 0.755 420 E HN -0.090 nan 8.360 nan 0.000 0.447 421 V N 0.765 120.677 119.914 -0.002 0.000 2.407 421 V HA -0.284 3.839 4.120 0.005 0.000 0.248 421 V C 2.448 178.566 176.094 0.041 0.000 1.055 421 V CA 2.046 64.357 62.300 0.018 0.000 1.049 421 V CB -0.505 31.311 31.823 -0.012 0.000 0.662 421 V HN 0.344 nan 8.190 nan 0.000 0.455 422 M N -0.471 119.142 119.600 0.022 0.000 2.099 422 M HA -0.169 4.314 4.480 0.005 0.000 0.262 422 M C 2.543 178.902 176.300 0.097 0.000 1.067 422 M CA 2.118 57.447 55.300 0.049 0.000 1.124 422 M CB -0.620 31.993 32.600 0.022 0.000 1.353 422 M HN 0.423 nan 8.290 nan 0.000 0.410 423 S N 0.617 116.407 115.700 0.150 0.000 2.365 423 S HA -0.171 4.302 4.470 0.005 0.000 0.225 423 S C 1.954 176.619 174.600 0.108 0.000 1.039 423 S CA 1.445 59.747 58.200 0.169 0.000 1.033 423 S CB -0.186 63.188 63.200 0.290 0.000 0.887 423 S HN 0.413 nan 8.310 nan 0.000 0.447 424 R N -0.217 120.346 120.500 0.105 0.000 2.120 424 R HA -0.001 4.342 4.340 0.005 0.000 0.234 424 R C 2.117 178.462 176.300 0.076 0.000 1.123 424 R CA 1.045 57.189 56.100 0.074 0.000 0.975 424 R CB -0.431 29.908 30.300 0.066 0.000 0.866 424 R HN 0.347 nan 8.270 nan 0.000 0.446 425 L N 1.600 122.889 121.223 0.110 0.000 2.044 425 L HA -0.142 4.201 4.340 0.005 0.000 0.205 425 L C 2.468 179.491 176.870 0.256 0.000 1.075 425 L CA 1.800 56.755 54.840 0.192 0.000 0.747 425 L CB -0.919 41.251 42.059 0.185 0.000 0.903 425 L HN 0.264 nan 8.230 nan 0.000 0.435 426 E N -1.364 118.923 120.200 0.145 0.000 2.106 426 E HA -0.164 4.189 4.350 0.005 0.000 0.192 426 E C 2.043 178.677 176.600 0.056 0.000 0.984 426 E CA 1.474 57.932 56.400 0.096 0.000 0.806 426 E CB -0.662 29.041 29.700 0.005 0.000 0.750 426 E HN 0.230 nan 8.360 nan 0.000 0.458 427 V N 1.505 121.433 119.914 0.023 0.000 2.332 427 V HA -0.242 3.881 4.120 0.005 0.000 0.248 427 V C 2.497 178.588 176.094 -0.004 0.000 1.055 427 V CA 1.546 63.841 62.300 -0.009 0.000 1.038 427 V CB -0.169 31.647 31.823 -0.010 0.000 0.651 427 V HN 0.219 nan 8.190 nan 0.000 0.450 428 V N -0.946 118.965 119.914 -0.004 0.000 2.307 428 V HA -0.227 3.896 4.120 0.005 0.000 0.245 428 V C 2.126 178.119 176.094 -0.169 0.000 1.045 428 V CA 2.169 64.404 62.300 -0.108 0.000 1.024 428 V CB -0.675 31.039 31.823 -0.182 0.000 0.651 428 V HN 0.475 nan 8.190 nan 0.000 0.449 429 F N 0.341 120.273 119.950 -0.029 0.000 2.325 429 F HA -0.121 4.409 4.527 0.006 0.000 0.299 429 F C 2.514 178.303 175.800 -0.017 0.000 1.090 429 F CA 1.655 59.636 58.000 -0.031 0.000 1.392 429 F CB -0.758 38.222 39.000 -0.034 0.000 1.053 429 F HN 0.086 nan 8.300 nan 0.000 0.521 430 T N -0.404 114.230 114.554 0.134 0.000 2.777 430 T HA -0.130 4.223 4.350 0.005 0.000 0.266 430 T C 2.307 177.034 174.700 0.046 0.000 1.040 430 T CA 1.217 63.369 62.100 0.087 0.000 1.141 430 T CB -0.525 68.350 68.868 0.011 0.000 0.868 430 T HN 0.278 nan 8.240 nan 0.000 0.444 431 A N 1.111 123.934 122.820 0.004 0.000 1.969 431 A HA 0.071 4.394 4.320 0.005 0.000 0.218 431 A C 2.265 179.836 177.584 -0.021 0.000 1.169 431 A CA 1.011 53.040 52.037 -0.013 0.000 0.635 431 A CB -0.787 18.192 19.000 -0.034 0.000 0.810 431 A HN 0.464 nan 8.150 nan 0.000 0.445 432 L N -1.118 120.078 121.223 -0.046 0.000 2.083 432 L HA -0.196 4.147 4.340 0.005 0.000 0.209 432 L C 2.757 179.622 176.870 -0.009 0.000 1.083 432 L CA 0.927 55.735 54.840 -0.053 0.000 0.752 432 L CB -0.408 41.582 42.059 -0.115 0.000 0.899 432 L HN 0.332 nan 8.230 nan 0.000 0.433 433 M N -0.638 118.977 119.600 0.025 0.000 2.099 433 M HA -0.135 4.348 4.480 0.005 0.000 0.262 433 M C 2.062 178.384 176.300 0.037 0.000 1.067 433 M CA 1.503 56.821 55.300 0.030 0.000 1.124 433 M CB -1.381 31.257 32.600 0.064 0.000 1.353 433 M HN 0.225 nan 8.290 nan 0.000 0.410 434 N N 0.881 119.612 118.700 0.051 0.000 2.084 434 N HA -0.115 4.628 4.740 0.005 0.000 0.190 434 N C 1.714 177.248 175.510 0.041 0.000 1.030 434 N CA 1.928 55.012 53.050 0.056 0.000 0.849 434 N CB -0.615 37.900 38.487 0.046 0.000 1.012 434 N HN 0.452 nan 8.380 nan 0.000 0.423 435 S N -0.672 115.041 115.700 0.021 0.000 2.547 435 S HA 0.038 4.511 4.470 0.005 0.000 0.235 435 S C 1.379 175.989 174.600 0.016 0.000 0.980 435 S CA 0.880 59.089 58.200 0.015 0.000 0.941 435 S CB 0.091 63.291 63.200 -0.001 0.000 0.763 435 S HN 0.029 nan 8.310 nan 0.000 0.532 436 K N -0.021 120.388 120.400 0.015 0.000 2.402 436 K HA 0.435 4.758 4.320 0.005 0.000 0.204 436 K C 1.073 177.685 176.600 0.021 0.000 1.056 436 K CA 0.479 56.769 56.287 0.004 0.000 1.069 436 K CB 0.717 33.203 32.500 -0.024 0.000 0.888 436 K HN 0.414 nan 8.250 nan 0.000 0.546 437 G N -0.476 108.357 108.800 0.054 0.000 2.184 437 G HA2 -0.251 3.712 3.960 0.005 0.000 0.206 437 G HA3 -0.251 3.712 3.960 0.005 0.000 0.206 437 G C 0.908 175.902 174.900 0.157 0.000 0.995 437 G CA 0.223 45.386 45.100 0.106 0.000 0.651 437 G HN 0.039 nan 8.290 nan 0.000 0.511 438 V N 2.297 122.269 119.914 0.097 0.000 2.407 438 V HA -0.195 3.928 4.120 0.005 0.000 0.248 438 V C 3.070 179.286 176.094 0.202 0.000 1.055 438 V CA 3.068 65.427 62.300 0.098 0.000 1.049 438 V CB -0.763 31.066 31.823 0.011 0.000 0.662 438 V HN 0.978 nan 8.190 nan 0.000 0.455 439 S N 0.955 116.762 115.700 0.179 0.000 2.387 439 S HA -0.194 4.279 4.470 0.005 0.000 0.230 439 S C 1.894 176.600 174.600 0.177 0.000 1.035 439 S CA 1.688 59.994 58.200 0.177 0.000 1.014 439 S CB -0.789 62.482 63.200 0.120 0.000 0.836 439 S HN 0.576 nan 8.310 nan 0.000 0.466 440 L N -0.726 120.604 121.223 0.178 0.000 2.201 440 L HA 0.139 4.482 4.340 0.005 0.000 0.212 440 L C 0.696 177.593 176.870 0.046 0.000 1.105 440 L CA 0.455 55.355 54.840 0.099 0.000 0.775 440 L CB -0.580 41.508 42.059 0.049 0.000 0.913 440 L HN 0.220 nan 8.230 nan 0.000 0.440 441 F N 0.220 120.205 119.950 0.059 0.000 2.380 441 F HA 0.119 4.649 4.527 0.006 0.000 0.325 441 F C 0.699 176.581 175.800 0.136 0.000 1.136 441 F CA -0.686 57.367 58.000 0.089 0.000 1.171 441 F CB 0.441 39.494 39.000 0.087 0.000 1.230 441 F HN -0.194 nan 8.300 nan 0.000 0.554 442 D N 2.645 123.244 120.400 0.331 0.000 2.456 442 D HA 0.271 4.914 4.640 0.005 0.000 0.219 442 D C -0.613 175.890 176.300 0.338 0.000 1.126 442 D CA -0.079 54.084 54.000 0.272 0.000 0.890 442 D CB -0.106 40.806 40.800 0.186 0.000 1.025 442 D HN 0.279 nan 8.370 nan 0.000 0.511 443 I N 4.633 125.398 120.570 0.324 0.000 2.337 443 I HA 0.227 4.400 4.170 0.005 0.000 0.291 443 I C 0.147 176.416 176.117 0.254 0.000 1.046 443 I CA -0.362 61.117 61.300 0.297 0.000 1.324 443 I CB 0.854 39.008 38.000 0.255 0.000 1.409 443 I HN 0.271 nan 8.210 nan 0.000 0.494 444 I N 6.772 127.469 120.570 0.211 0.000 2.355 444 I HA 0.208 4.381 4.170 0.005 0.000 0.288 444 I C 0.349 176.544 176.117 0.131 0.000 0.999 444 I CA -0.568 60.826 61.300 0.156 0.000 1.163 444 I CB 1.110 39.181 38.000 0.118 0.000 1.316 444 I HN 0.647 nan 8.210 nan 0.000 0.454 445 N N 5.530 124.307 118.700 0.128 0.000 2.705 445 N HA -0.124 4.619 4.740 0.005 0.000 0.255 445 N C -2.482 173.096 175.510 0.113 0.000 1.008 445 N CA 0.081 53.197 53.050 0.109 0.000 0.742 445 N CB -0.488 38.045 38.487 0.078 0.000 0.906 445 N HN 0.295 nan 8.380 nan 0.000 0.541 446 P HA 0.193 nan 4.420 nan 0.000 0.278 446 P C -0.745 176.634 177.300 0.131 0.000 1.238 446 P CA 0.211 63.390 63.100 0.131 0.000 0.794 446 P CB 0.768 32.558 31.700 0.150 0.000 0.955 447 E N 1.900 122.169 120.200 0.114 0.000 2.187 447 E HA 0.485 4.838 4.350 0.005 0.000 0.268 447 E C -0.453 176.227 176.600 0.135 0.000 0.896 447 E CA -0.686 55.786 56.400 0.120 0.000 0.766 447 E CB 1.586 31.355 29.700 0.115 0.000 1.142 447 E HN 0.395 nan 8.360 nan 0.000 0.408 448 I N 4.489 125.134 120.570 0.126 0.000 2.328 448 I HA 0.357 4.530 4.170 0.005 0.000 0.287 448 I C -0.497 175.680 176.117 0.100 0.000 1.012 448 I CA -0.463 60.908 61.300 0.119 0.000 1.195 448 I CB 0.597 38.655 38.000 0.097 0.000 1.350 448 I HN 0.363 nan 8.210 nan 0.000 0.464 449 I N 5.826 126.469 120.570 0.121 0.000 2.410 449 I HA 0.266 4.439 4.170 0.005 0.000 0.286 449 I C 0.215 176.359 176.117 0.045 0.000 1.009 449 I CA -0.464 60.892 61.300 0.094 0.000 1.111 449 I CB 2.137 40.226 38.000 0.148 0.000 1.262 449 I HN 0.528 nan 8.210 nan 0.000 0.443 450 T N 3.816 118.346 114.554 -0.039 0.000 2.875 450 T HA 0.667 5.020 4.350 0.005 0.000 0.284 450 T C -0.018 174.539 174.700 -0.237 0.000 0.995 450 T CA -0.875 61.138 62.100 -0.145 0.000 1.060 450 T CB 1.885 70.662 68.868 -0.151 0.000 0.967 450 T HN 0.406 nan 8.240 nan 0.000 0.476 451 R N 0.744 120.965 120.500 -0.465 0.000 2.869 451 R HA 0.395 4.738 4.340 0.005 0.000 0.263 451 R C -1.235 174.754 176.300 -0.519 0.000 1.066 451 R CA -0.924 54.823 56.100 -0.588 0.000 0.960 451 R CB 1.114 30.731 30.300 -1.138 0.000 1.221 451 R HN 0.767 nan 8.270 nan 0.000 0.474 452 D N 0.267 120.461 120.400 -0.343 0.000 2.348 452 D HA 0.241 4.884 4.640 0.005 0.000 0.259 452 D C 0.961 177.206 176.300 -0.093 0.000 1.296 452 D CA 1.634 55.536 54.000 -0.164 0.000 0.931 452 D CB -0.049 40.717 40.800 -0.057 0.000 1.067 452 D HN 0.699 nan 8.370 nan 0.000 0.503 453 G N 2.946 111.700 108.800 -0.077 0.000 2.218 453 G HA2 -0.159 3.804 3.960 0.005 0.000 0.216 453 G HA3 -0.159 3.804 3.960 0.005 0.000 0.216 453 G C 0.094 175.073 174.900 0.131 0.000 0.994 453 G CA 0.132 45.278 45.100 0.077 0.000 0.637 453 G HN 0.716 nan 8.290 nan 0.000 0.505 454 F N -1.303 118.608 119.950 -0.064 0.000 2.678 454 F HA 0.831 5.360 4.527 0.004 0.000 0.308 454 F C -1.052 174.672 175.800 -0.127 0.000 1.118 454 F CA -1.789 56.094 58.000 -0.196 0.000 0.959 454 F CB 1.149 39.924 39.000 -0.374 0.000 1.305 454 F HN 0.265 nan 8.300 nan 0.000 0.443 455 L N 3.087 124.401 121.223 0.152 0.000 2.334 455 L HA 0.763 5.106 4.340 0.005 0.000 0.273 455 L C -1.689 175.431 176.870 0.416 0.000 1.013 455 L CA -0.743 54.210 54.840 0.188 0.000 0.816 455 L CB 1.775 43.933 42.059 0.164 0.000 1.278 455 L HN 0.821 nan 8.230 nan 0.000 0.431 456 L N 5.561 127.016 121.223 0.387 0.000 2.356 456 L HA 0.491 4.834 4.340 0.005 0.000 0.277 456 L C -1.109 175.990 176.870 0.382 0.000 0.996 456 L CA -0.563 54.558 54.840 0.469 0.000 0.822 456 L CB 1.878 44.230 42.059 0.489 0.000 1.256 456 L HN 0.569 nan 8.230 nan 0.000 0.413 457 L N 4.322 125.814 121.223 0.449 0.000 2.296 457 L HA 0.515 4.858 4.340 0.005 0.000 0.286 457 L C -0.590 176.454 176.870 0.290 0.000 1.023 457 L CA -0.514 54.544 54.840 0.364 0.000 0.812 457 L CB 1.642 43.972 42.059 0.452 0.000 1.223 457 L HN 0.598 nan 8.230 nan 0.000 0.421 458 Q N 5.976 125.867 119.800 0.151 0.000 2.372 458 Q HA 0.816 5.159 4.340 0.005 0.000 0.273 458 Q C -0.865 175.106 176.000 -0.047 0.000 1.078 458 Q CA -0.767 54.995 55.803 -0.069 0.000 0.806 458 Q CB 3.447 32.165 28.738 -0.035 0.000 1.332 458 Q HN 0.674 nan 8.270 nan 0.000 0.435 459 M N -0.717 118.805 119.600 -0.130 0.000 2.853 459 M HA 0.518 5.001 4.480 0.005 0.000 0.273 459 M C -2.148 174.164 176.300 0.021 0.000 1.128 459 M CA -0.907 54.395 55.300 0.004 0.000 0.814 459 M CB 2.147 34.801 32.600 0.090 0.000 1.667 459 M HN 0.323 nan 8.290 nan 0.000 0.519 460 D N 1.695 122.144 120.400 0.081 0.000 2.384 460 D HA 0.840 5.483 4.640 0.005 0.000 0.250 460 D C -1.205 175.241 176.300 0.243 0.000 1.029 460 D CA 0.199 54.254 54.000 0.092 0.000 0.990 460 D CB 1.921 42.731 40.800 0.015 0.000 1.175 460 D HN 0.588 nan 8.370 nan 0.000 0.532 461 F N -2.230 117.789 119.950 0.115 0.000 2.626 461 F HA 0.727 5.257 4.527 0.005 0.000 0.311 461 F C -0.346 175.581 175.800 0.212 0.000 1.088 461 F CA -1.180 56.938 58.000 0.197 0.000 0.949 461 F CB 1.506 40.669 39.000 0.272 0.000 1.322 461 F HN 0.236 nan 8.300 nan 0.000 0.461 462 G N 0.999 110.026 108.800 0.378 0.000 2.461 462 G HA2 0.550 4.513 3.960 0.005 0.000 0.323 462 G HA3 0.550 4.513 3.960 0.005 0.000 0.323 462 G C -2.392 172.754 174.900 0.409 0.000 1.229 462 G CA -0.646 44.601 45.100 0.245 0.000 0.941 462 G HN 0.647 nan 8.290 nan 0.000 0.477 463 F N 3.566 123.605 119.950 0.148 0.000 2.334 463 F HA 0.466 4.996 4.527 0.005 0.000 0.367 463 F C -1.852 173.925 175.800 -0.037 0.000 1.115 463 F CA -2.891 55.169 58.000 0.100 0.000 1.116 463 F CB 1.868 40.984 39.000 0.194 0.000 1.230 463 F HN 0.173 nan 8.300 nan 0.000 0.484 464 P HA 0.023 nan 4.420 nan 0.000 0.268 464 P C 0.764 177.805 177.300 -0.432 0.000 1.282 464 P CA 0.163 63.064 63.100 -0.333 0.000 0.880 464 P CB 0.551 32.016 31.700 -0.391 0.000 0.971 465 E N 3.668 123.799 120.200 -0.115 0.000 2.273 465 E HA -0.271 4.082 4.350 0.005 0.000 0.198 465 E C 1.211 177.781 176.600 -0.049 0.000 1.002 465 E CA 1.202 57.592 56.400 -0.016 0.000 0.828 465 E CB -0.050 29.697 29.700 0.077 0.000 0.747 465 E HN 0.632 nan 8.360 nan 0.000 0.491 466 H N -0.258 118.754 119.070 -0.097 0.000 2.524 466 H HA -0.002 4.557 4.556 0.005 0.000 0.282 466 H C 2.144 177.415 175.328 -0.095 0.000 1.016 466 H CA 0.479 56.483 56.048 -0.073 0.000 1.270 466 H CB -0.422 29.301 29.762 -0.066 0.000 1.394 466 H HN 0.216 nan 8.280 nan 0.000 0.568 467 L N 0.057 120.793 121.223 -0.812 0.000 2.109 467 L HA -0.118 4.225 4.340 0.005 0.000 0.207 467 L C 2.621 179.345 176.870 -0.243 0.000 1.086 467 L CA 0.476 54.946 54.840 -0.617 0.000 0.760 467 L CB -0.197 41.371 42.059 -0.818 0.000 0.910 467 L HN 0.204 nan 8.230 nan 0.000 0.437 468 L N -0.864 120.263 121.223 -0.161 0.000 2.109 468 L HA -0.108 4.235 4.340 0.005 0.000 0.207 468 L C 2.334 179.283 176.870 0.131 0.000 1.086 468 L CA 1.421 56.327 54.840 0.110 0.000 0.760 468 L CB -0.252 41.978 42.059 0.286 0.000 0.910 468 L HN -0.091 nan 8.230 nan 0.000 0.437 469 V N -0.060 119.893 119.914 0.066 0.000 2.287 469 V HA -0.330 3.793 4.120 0.005 0.000 0.248 469 V C 2.197 178.321 176.094 0.051 0.000 1.053 469 V CA 2.141 64.478 62.300 0.063 0.000 1.027 469 V CB -0.821 31.038 31.823 0.060 0.000 0.646 469 V HN 0.424 nan 8.190 nan 0.000 0.447 470 D N -0.806 119.625 120.400 0.050 0.000 2.178 470 D HA -0.142 4.501 4.640 0.005 0.000 0.202 470 D C 1.798 178.125 176.300 0.045 0.000 0.974 470 D CA 1.131 55.160 54.000 0.047 0.000 0.841 470 D CB -0.304 40.533 40.800 0.062 0.000 0.953 470 D HN 0.506 nan 8.370 nan 0.000 0.478 471 F N 0.728 120.626 119.950 -0.087 0.000 2.084 471 F HA -0.165 4.365 4.527 0.005 0.000 0.296 471 F C 1.811 177.542 175.800 -0.115 0.000 1.111 471 F CA 0.872 58.786 58.000 -0.143 0.000 1.224 471 F CB -0.046 38.825 39.000 -0.216 0.000 0.991 471 F HN -0.145 nan 8.300 nan 0.000 0.471 472 L N 0.828 121.934 121.223 -0.195 0.000 2.042 472 L HA -0.233 4.111 4.340 0.005 0.000 0.210 472 L C 2.475 179.226 176.870 -0.198 0.000 1.076 472 L CA 1.790 56.485 54.840 -0.242 0.000 0.749 472 L CB -1.683 40.359 42.059 -0.029 0.000 0.893 472 L HN 0.320 nan 8.230 nan 0.000 0.432 473 Q N -0.284 119.450 119.800 -0.111 0.000 2.124 473 Q HA -0.162 4.181 4.340 0.005 0.000 0.202 473 Q C 2.321 178.255 176.000 -0.110 0.000 0.977 473 Q CA 1.905 57.660 55.803 -0.080 0.000 0.850 473 Q CB -0.281 28.438 28.738 -0.032 0.000 0.901 473 Q HN 0.581 nan 8.270 nan 0.000 0.429 474 S N -0.957 114.651 115.700 -0.154 0.000 2.561 474 S HA 0.003 4.476 4.470 0.005 0.000 0.225 474 S C 1.693 176.166 174.600 -0.211 0.000 0.977 474 S CA 0.285 58.395 58.200 -0.150 0.000 0.926 474 S CB -0.346 62.788 63.200 -0.111 0.000 0.769 474 S HN 0.474 nan 8.310 nan 0.000 0.533 475 L N 2.090 123.133 121.223 -0.300 0.000 2.265 475 L HA 0.009 4.352 4.340 0.005 0.000 0.215 475 L C 1.694 178.474 176.870 -0.149 0.000 1.117 475 L CA 0.741 55.415 54.840 -0.278 0.000 0.782 475 L CB -0.773 41.096 42.059 -0.316 0.000 0.914 475 L HN 0.534 nan 8.230 nan 0.000 0.441 476 S N 0.000 115.632 115.700 -0.113 0.000 2.498 476 S HA 0.000 4.473 4.470 0.005 0.000 0.327 476 S CA 0.000 58.159 58.200 -0.068 0.000 1.107 476 S CB 0.000 63.170 63.200 -0.051 0.000 0.593 476 S HN 0.000 nan 8.310 nan 0.000 0.517