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 2xi2_1_B DATA FIRST_RESID 1 DATA SEQUENCE SMSYSWTGAL VTPCAAEEQK LPINALSNSL LRHHNLVYST TSRSACQRQK DATA SEQUENCE KVTFDRLQVL DSHYHDVLKE VKAAASKVKA NLLSVEEACS LTPPHSAKSK DATA SEQUENCE FGYGAKDVRC HARKAVAHIN SVWKDLLEDS VTPIDTTIMA KNEVFCVQPE DATA SEQUENCE KGGRKPARLI VFPDLGVRVC EKMALYDVVS KLPLAVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVQAWKS KKTPMGFSYD TRCFDSTVTE SDIRTEEAIY QCCDLDPQAR DATA SEQUENCE VAIKSLTERL YVGGPLTNSR GENCGYRRCR ASGVLTTSCG NTLTCYIKAR DATA SEQUENCE AACRAAGLQD CTMLVCGDDL VVICESAGVQ EDAASLRAFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDGAGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMFAPTLW ARMILMTHFF SVLIARDQLE QALNCEIYGA DATA SEQUENCE CYSIEPLDLP PIIQRLHGLS AFSLHSYSPG EINRVAACLR KLGVPPLRAW DATA SEQUENCE RHRARSVRAR LLSRGGRAAI CGKYLFNWAV RTKLKLTPIA AAGRLXXXGW DATA SEQUENCE FTAGYSGGDI YH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.570 174.600 -0.050 0.000 1.055 1 S CA 0.000 58.179 58.200 -0.036 0.000 1.107 1 S CB 0.000 63.177 63.200 -0.038 0.000 0.593 2 M N 3.392 122.953 119.600 -0.064 0.000 2.217 2 M HA 0.253 4.733 4.480 0.001 0.000 0.354 2 M C 1.941 178.120 176.300 -0.202 0.000 1.225 2 M CA 0.018 55.262 55.300 -0.093 0.000 1.137 2 M CB 0.586 33.151 32.600 -0.058 0.000 1.576 2 M HN 0.777 nan 8.290 nan 0.000 0.461 3 S N 2.501 118.010 115.700 -0.318 0.000 2.383 3 S HA -0.101 4.369 4.470 0.001 0.000 0.229 3 S C 0.114 174.265 174.600 -0.749 0.000 1.030 3 S CA 1.016 58.893 58.200 -0.538 0.000 1.002 3 S CB -0.248 62.546 63.200 -0.677 0.000 0.829 3 S HN 0.650 nan 8.310 nan 0.000 0.467 4 Y N 0.827 120.936 120.300 -0.319 0.000 2.562 4 Y HA 0.581 5.131 4.550 0.001 0.000 0.345 4 Y C -0.201 175.350 175.900 -0.581 0.000 1.045 4 Y CA -0.968 56.800 58.100 -0.553 0.000 1.028 4 Y CB 2.012 39.896 38.460 -0.959 0.000 1.297 4 Y HN 0.202 nan 8.280 nan 0.000 0.463 5 S N 0.056 115.495 115.700 -0.435 0.000 2.532 5 S HA 0.778 5.248 4.470 0.001 0.000 0.301 5 S C -1.519 172.813 174.600 -0.446 0.000 1.083 5 S CA -0.800 57.203 58.200 -0.329 0.000 1.025 5 S CB 1.258 64.390 63.200 -0.114 0.000 1.056 5 S HN 0.606 nan 8.310 nan 0.000 0.494 6 W N 0.320 121.672 121.300 0.087 0.000 2.761 6 W HA 0.479 5.139 4.660 0.001 0.000 0.340 6 W C 1.297 177.843 176.519 0.046 0.000 1.072 6 W CA -0.592 56.789 57.345 0.060 0.000 1.215 6 W CB 2.107 31.587 29.460 0.032 0.000 1.420 6 W HN 0.863 nan 8.180 nan 0.000 0.519 7 T N -2.444 112.291 114.554 0.300 0.000 3.044 7 T HA 0.323 4.673 4.350 0.001 0.000 0.255 7 T C 1.424 176.207 174.700 0.138 0.000 1.073 7 T CA 0.960 63.163 62.100 0.172 0.000 1.125 7 T CB 0.066 69.013 68.868 0.132 0.000 0.908 7 T HN 1.207 nan 8.240 nan 0.000 0.480 8 G N 1.294 110.181 108.800 0.145 0.000 2.253 8 G HA2 0.050 4.010 3.960 0.001 0.000 0.209 8 G HA3 0.050 4.010 3.960 0.001 0.000 0.209 8 G C 0.387 175.307 174.900 0.035 0.000 0.997 8 G CA -0.148 44.991 45.100 0.066 0.000 0.640 8 G HN 1.090 nan 8.290 nan 0.000 0.496 9 A N 0.986 123.841 122.820 0.059 0.000 2.531 9 A HA 0.598 4.918 4.320 0.001 0.000 0.236 9 A C 0.790 178.377 177.584 0.005 0.000 1.062 9 A CA 0.365 52.423 52.037 0.036 0.000 0.760 9 A CB 0.135 19.168 19.000 0.055 0.000 0.995 9 A HN 0.898 nan 8.150 nan 0.000 0.501 10 L N 1.966 123.180 121.223 -0.015 0.000 2.418 10 L HA 0.278 4.618 4.340 0.001 0.000 0.265 10 L C -0.038 176.811 176.870 -0.035 0.000 1.143 10 L CA -0.858 53.954 54.840 -0.046 0.000 0.809 10 L CB 1.068 43.104 42.059 -0.038 0.000 1.124 10 L HN 0.433 nan 8.230 nan 0.000 0.456 11 V N 1.081 120.957 119.914 -0.063 0.000 2.439 11 V HA 0.120 4.241 4.120 0.001 0.000 0.271 11 V C 0.585 176.672 176.094 -0.013 0.000 1.040 11 V CA -0.308 61.972 62.300 -0.033 0.000 1.002 11 V CB 0.451 32.243 31.823 -0.051 0.000 1.000 11 V HN 0.899 nan 8.190 nan 0.000 0.477 12 T N 4.907 119.464 114.554 0.005 0.000 2.925 12 T HA 0.653 5.003 4.350 0.001 0.000 0.285 12 T C -2.569 172.147 174.700 0.027 0.000 1.021 12 T CA -2.185 59.922 62.100 0.012 0.000 1.042 12 T CB 2.058 70.932 68.868 0.011 0.000 1.037 12 T HN 0.458 nan 8.240 nan 0.000 0.481 13 P HA 0.265 nan 4.420 nan 0.000 0.276 13 P C 0.839 178.164 177.300 0.042 0.000 1.244 13 P CA -0.770 62.355 63.100 0.042 0.000 0.801 13 P CB 0.702 32.427 31.700 0.040 0.000 1.006 14 C N 0.008 119.339 119.300 0.052 0.000 2.587 14 C HA 0.649 5.110 4.460 0.001 0.000 0.287 14 C C 1.237 176.252 174.990 0.043 0.000 1.374 14 C CA 0.637 59.683 59.018 0.047 0.000 1.770 14 C CB -0.984 26.791 27.740 0.060 0.000 2.137 14 C HN 0.623 nan 8.230 nan 0.000 0.550 15 A N 1.081 123.932 122.820 0.051 0.000 2.269 15 A HA 0.782 5.103 4.320 0.001 0.000 0.327 15 A C 0.429 178.046 177.584 0.055 0.000 1.112 15 A CA 0.228 52.295 52.037 0.052 0.000 0.865 15 A CB -0.045 18.991 19.000 0.060 0.000 1.227 15 A HN 1.378 nan 8.150 nan 0.000 0.498 16 A N 0.064 122.918 122.820 0.055 0.000 2.547 16 A HA 0.438 4.759 4.320 0.001 0.000 0.233 16 A C 0.046 177.674 177.584 0.073 0.000 1.067 16 A CA 0.409 52.481 52.037 0.058 0.000 0.763 16 A CB -0.196 18.837 19.000 0.054 0.000 1.007 16 A HN 0.729 nan 8.150 nan 0.000 0.506 17 E N 0.956 121.204 120.200 0.079 0.000 2.218 17 E HA 0.304 4.655 4.350 0.001 0.000 0.263 17 E C -1.152 175.524 176.600 0.127 0.000 0.879 17 E CA -0.718 55.742 56.400 0.100 0.000 0.762 17 E CB 1.548 31.299 29.700 0.084 0.000 1.166 17 E HN 0.620 nan 8.360 nan 0.000 0.415 18 E N 2.650 122.962 120.200 0.187 0.000 2.200 18 E HA 0.074 4.424 4.350 0.001 0.000 0.283 18 E C 0.250 177.049 176.600 0.331 0.000 1.015 18 E CA -0.093 56.450 56.400 0.238 0.000 0.819 18 E CB 1.459 31.310 29.700 0.251 0.000 1.081 18 E HN 0.550 nan 8.360 nan 0.000 0.397 19 Q N 1.338 121.300 119.800 0.269 0.000 2.250 19 Q HA 0.041 4.382 4.340 0.001 0.000 0.200 19 Q C 0.119 176.368 176.000 0.415 0.000 0.941 19 Q CA 0.914 56.886 55.803 0.281 0.000 0.872 19 Q CB 0.457 29.311 28.738 0.193 0.000 0.965 19 Q HN 0.263 nan 8.270 nan 0.000 0.480 20 K N 0.149 120.778 120.400 0.382 0.000 2.352 20 K HA 0.435 4.755 4.320 0.001 0.000 0.240 20 K C -0.774 175.911 176.600 0.142 0.000 1.017 20 K CA -0.751 55.748 56.287 0.354 0.000 0.851 20 K CB 1.660 34.286 32.500 0.210 0.000 1.261 20 K HN -0.094 nan 8.250 nan 0.000 0.451 21 L N 2.855 124.110 121.223 0.053 0.000 2.483 21 L HA 0.099 4.439 4.340 0.001 0.000 0.276 21 L C -1.563 175.187 176.870 -0.200 0.000 1.213 21 L CA -1.066 53.616 54.840 -0.263 0.000 0.843 21 L CB -0.112 41.903 42.059 -0.074 0.000 1.107 21 L HN 0.556 nan 8.230 nan 0.000 0.487 22 P HA 0.198 nan 4.420 nan 0.000 0.343 22 P C -0.605 176.605 177.300 -0.150 0.000 1.358 22 P CA -0.142 62.852 63.100 -0.176 0.000 0.802 22 P CB 0.515 32.099 31.700 -0.192 0.000 1.886 23 I N 0.355 120.849 120.570 -0.127 0.000 2.479 23 I HA 0.302 4.472 4.170 0.001 0.000 0.279 23 I C 0.410 176.462 176.117 -0.108 0.000 1.102 23 I CA -0.146 61.080 61.300 -0.124 0.000 1.196 23 I CB -0.891 37.051 38.000 -0.096 0.000 1.427 23 I HN 0.186 nan 8.210 nan 0.000 0.503 24 N N 2.760 121.391 118.700 -0.115 0.000 2.430 24 N HA 0.560 5.301 4.740 0.001 0.000 0.298 24 N C 0.681 176.152 175.510 -0.064 0.000 1.130 24 N CA -0.071 52.928 53.050 -0.086 0.000 0.894 24 N CB 2.303 40.734 38.487 -0.094 0.000 1.209 24 N HN 0.408 nan 8.380 nan 0.000 0.503 25 A N 3.027 125.821 122.820 -0.044 0.000 1.843 25 A HA 0.079 4.399 4.320 0.001 0.000 0.213 25 A C 2.012 179.588 177.584 -0.014 0.000 1.239 25 A CA 0.746 52.765 52.037 -0.031 0.000 0.606 25 A CB -0.860 18.123 19.000 -0.027 0.000 0.903 25 A HN 0.684 nan 8.150 nan 0.000 0.455 26 L N 0.217 121.438 121.223 -0.003 0.000 2.456 26 L HA -0.082 4.259 4.340 0.001 0.000 0.224 26 L C 2.587 179.512 176.870 0.091 0.000 1.148 26 L CA 1.020 55.878 54.840 0.030 0.000 0.825 26 L CB -0.322 41.735 42.059 -0.004 0.000 0.937 26 L HN 0.477 nan 8.230 nan 0.000 0.450 27 S N 0.208 115.931 115.700 0.038 0.000 2.395 27 S HA -0.135 4.335 4.470 0.001 0.000 0.225 27 S C 1.901 176.511 174.600 0.017 0.000 1.027 27 S CA 0.890 59.106 58.200 0.028 0.000 0.965 27 S CB -0.182 63.014 63.200 -0.006 0.000 0.812 27 S HN 0.505 nan 8.310 nan 0.000 0.482 28 N N 1.184 119.890 118.700 0.009 0.000 2.223 28 N HA -0.112 4.629 4.740 0.001 0.000 0.185 28 N C 1.696 177.213 175.510 0.013 0.000 1.016 28 N CA 1.719 54.778 53.050 0.015 0.000 0.863 28 N CB -0.263 38.223 38.487 -0.003 0.000 0.983 28 N HN 0.570 nan 8.380 nan 0.000 0.429 29 S N -0.123 115.588 115.700 0.018 0.000 2.515 29 S HA -0.062 4.409 4.470 0.001 0.000 0.231 29 S C 1.876 176.507 174.600 0.051 0.000 0.987 29 S CA 0.156 58.361 58.200 0.009 0.000 0.936 29 S CB -0.084 63.127 63.200 0.018 0.000 0.766 29 S HN 0.250 nan 8.310 nan 0.000 0.528 30 L N 1.012 122.249 121.223 0.022 0.000 2.121 30 L HA 0.473 4.814 4.340 0.001 0.000 0.200 30 L C 0.082 176.991 176.870 0.065 0.000 1.077 30 L CA 1.124 55.950 54.840 -0.024 0.000 0.766 30 L CB -0.419 41.378 42.059 -0.437 0.000 0.931 30 L HN 0.593 nan 8.230 nan 0.000 0.452 31 L N -3.897 117.336 121.223 0.017 0.000 2.445 31 L HA 0.552 4.893 4.340 0.001 0.000 0.262 31 L C 0.391 177.276 176.870 0.026 0.000 0.974 31 L CA -0.453 54.395 54.840 0.015 0.000 0.822 31 L CB 1.764 43.831 42.059 0.014 0.000 1.339 31 L HN -0.048 nan 8.230 nan 0.000 0.409 32 R N -0.491 119.989 120.500 -0.034 0.000 2.254 32 R HA 0.203 4.543 4.340 0.001 0.000 0.195 32 R C -0.071 176.337 176.300 0.180 0.000 0.957 32 R CA 0.365 56.491 56.100 0.044 0.000 1.024 32 R CB -0.045 30.243 30.300 -0.020 0.000 0.952 32 R HN 0.738 nan 8.270 nan 0.000 0.484 33 H N 0.930 120.031 119.070 0.053 0.000 2.640 33 H HA 0.034 4.591 4.556 0.001 0.000 0.220 33 H C 0.785 176.086 175.328 -0.046 0.000 1.852 33 H CA -0.454 55.572 56.048 -0.036 0.000 1.275 33 H CB 0.017 29.764 29.762 -0.024 0.000 1.675 33 H HN 0.420 nan 8.280 nan 0.000 0.523 34 H N -0.779 118.386 119.070 0.159 0.000 2.422 34 H HA -0.138 4.418 4.556 0.001 0.000 0.298 34 H C 1.479 176.889 175.328 0.136 0.000 1.098 34 H CA 1.132 57.254 56.048 0.123 0.000 1.315 34 H CB 0.011 29.821 29.762 0.079 0.000 1.382 34 H HN 0.316 nan 8.280 nan 0.000 0.523 35 N N 0.458 118.959 118.700 -0.332 0.000 2.520 35 N HA -0.054 4.686 4.740 0.001 0.000 0.185 35 N C 1.383 176.911 175.510 0.031 0.000 1.068 35 N CA 0.780 53.765 53.050 -0.110 0.000 0.911 35 N CB 0.066 38.421 38.487 -0.220 0.000 0.961 35 N HN 0.488 nan 8.380 nan 0.000 0.446 36 L N -0.059 121.203 121.223 0.064 0.000 2.446 36 L HA 0.110 4.450 4.340 0.001 0.000 0.219 36 L C 0.269 177.284 176.870 0.242 0.000 1.116 36 L CA 0.150 55.066 54.840 0.126 0.000 0.844 36 L CB 0.191 42.319 42.059 0.116 0.000 0.970 36 L HN -0.169 nan 8.230 nan 0.000 0.457 37 V N 0.718 120.783 119.914 0.252 0.000 2.461 37 V HA 0.153 4.273 4.120 0.001 0.000 0.275 37 V C -0.455 175.875 176.094 0.393 0.000 1.047 37 V CA -0.427 62.047 62.300 0.290 0.000 0.955 37 V CB 0.314 32.306 31.823 0.283 0.000 0.988 37 V HN 0.210 nan 8.190 nan 0.000 0.471 38 Y N 2.075 122.474 120.300 0.167 0.000 2.588 38 Y HA 0.791 5.342 4.550 0.001 0.000 0.343 38 Y C -0.392 175.480 175.900 -0.046 0.000 1.065 38 Y CA -1.073 57.111 58.100 0.140 0.000 1.038 38 Y CB 1.899 40.430 38.460 0.119 0.000 1.297 38 Y HN 0.428 nan 8.280 nan 0.000 0.467 39 S N 1.661 117.285 115.700 -0.126 0.000 2.475 39 S HA 0.493 4.963 4.470 0.001 0.000 0.298 39 S C -0.356 174.254 174.600 0.016 0.000 1.119 39 S CA -0.273 57.699 58.200 -0.379 0.000 1.085 39 S CB 0.564 63.376 63.200 -0.648 0.000 1.028 39 S HN 1.052 nan 8.310 nan 0.000 0.489 40 T N 2.089 116.656 114.554 0.022 0.000 2.932 40 T HA 0.501 4.852 4.350 0.001 0.000 0.312 40 T C 0.423 175.169 174.700 0.075 0.000 1.071 40 T CA -0.072 62.118 62.100 0.151 0.000 1.128 40 T CB 0.600 69.578 68.868 0.182 0.000 0.984 40 T HN 0.884 nan 8.240 nan 0.000 0.549 41 T N -2.090 112.518 114.554 0.090 0.000 2.787 41 T HA 0.477 4.828 4.350 0.001 0.000 0.297 41 T C 1.314 176.045 174.700 0.052 0.000 1.221 41 T CA -0.239 61.900 62.100 0.066 0.000 1.006 41 T CB 1.123 70.036 68.868 0.075 0.000 1.328 41 T HN 0.793 nan 8.240 nan 0.000 0.509 42 S N 0.064 115.789 115.700 0.041 0.000 2.469 42 S HA -0.116 4.354 4.470 0.001 0.000 0.238 42 S C 1.825 176.431 174.600 0.010 0.000 0.998 42 S CA 0.170 58.384 58.200 0.023 0.000 0.957 42 S CB -0.642 62.572 63.200 0.022 0.000 0.764 42 S HN 0.645 nan 8.310 nan 0.000 0.514 43 R N 1.821 122.334 120.500 0.022 0.000 2.139 43 R HA -0.056 4.284 4.340 0.001 0.000 0.243 43 R C 2.111 178.409 176.300 -0.002 0.000 1.145 43 R CA 1.600 57.707 56.100 0.012 0.000 0.976 43 R CB -0.928 29.387 30.300 0.026 0.000 0.866 43 R HN 0.767 nan 8.270 nan 0.000 0.449 44 S N -1.175 114.527 115.700 0.004 0.000 2.568 44 S HA 0.304 4.774 4.470 0.001 0.000 0.232 44 S C 1.616 176.198 174.600 -0.030 0.000 0.975 44 S CA 0.181 58.376 58.200 -0.008 0.000 0.949 44 S CB 0.854 64.062 63.200 0.014 0.000 0.829 44 S HN 0.235 nan 8.310 nan 0.000 0.479 45 A N 1.070 123.864 122.820 -0.044 0.000 1.940 45 A HA -0.068 4.252 4.320 0.001 0.000 0.219 45 A C 2.252 179.748 177.584 -0.147 0.000 1.176 45 A CA 1.604 53.592 52.037 -0.082 0.000 0.631 45 A CB -1.515 17.432 19.000 -0.088 0.000 0.814 45 A HN 0.730 nan 8.150 nan 0.000 0.446 46 C N -1.072 118.140 119.300 -0.148 0.000 2.425 46 C HA -0.130 4.331 4.460 0.001 0.000 0.277 46 C C 2.799 177.700 174.990 -0.147 0.000 1.280 46 C CA 1.230 60.135 59.018 -0.189 0.000 1.744 46 C CB -1.360 26.295 27.740 -0.143 0.000 1.989 46 C HN 0.776 nan 8.230 nan 0.000 0.491 47 Q N 0.668 120.414 119.800 -0.089 0.000 2.084 47 Q HA -0.232 4.108 4.340 0.001 0.000 0.202 47 Q C 2.420 178.394 176.000 -0.044 0.000 0.978 47 Q CA 1.560 57.330 55.803 -0.055 0.000 0.844 47 Q CB -0.117 28.600 28.738 -0.035 0.000 0.898 47 Q HN 0.508 nan 8.270 nan 0.000 0.426 48 R N 0.453 120.923 120.500 -0.051 0.000 2.075 48 R HA -0.111 4.230 4.340 0.001 0.000 0.232 48 R C 2.086 178.359 176.300 -0.046 0.000 1.126 48 R CA 1.983 58.069 56.100 -0.023 0.000 0.963 48 R CB -0.291 30.002 30.300 -0.013 0.000 0.858 48 R HN 0.365 nan 8.270 nan 0.000 0.435 49 Q N 0.027 119.722 119.800 -0.175 0.000 2.112 49 Q HA -0.229 4.111 4.340 0.001 0.000 0.206 49 Q C 2.033 177.984 176.000 -0.081 0.000 0.987 49 Q CA 2.129 57.752 55.803 -0.299 0.000 0.858 49 Q CB -0.205 28.044 28.738 -0.815 0.000 0.905 49 Q HN 0.288 nan 8.270 nan 0.000 0.420 50 K N 1.078 121.434 120.400 -0.074 0.000 2.032 50 K HA -0.216 4.105 4.320 0.001 0.000 0.209 50 K C 2.097 178.777 176.600 0.133 0.000 1.048 50 K CA 1.461 57.769 56.287 0.035 0.000 0.927 50 K CB -0.025 32.477 32.500 0.003 0.000 0.712 50 K HN -0.032 nan 8.250 nan 0.000 0.441 51 K N 0.536 121.006 120.400 0.116 0.000 2.097 51 K HA -0.102 4.218 4.320 0.001 0.000 0.206 51 K C 1.676 178.469 176.600 0.322 0.000 1.049 51 K CA 1.557 57.950 56.287 0.177 0.000 0.933 51 K CB 0.103 32.676 32.500 0.122 0.000 0.717 51 K HN 0.222 nan 8.250 nan 0.000 0.442 52 V N -1.389 118.700 119.914 0.291 0.000 3.623 52 V HA 0.099 4.220 4.120 0.001 0.000 0.271 52 V C 0.240 176.493 176.094 0.266 0.000 1.248 52 V CA 0.189 62.699 62.300 0.350 0.000 1.156 52 V CB 0.068 32.070 31.823 0.298 0.000 0.870 52 V HN 0.001 nan 8.190 nan 0.000 0.453 53 T N 4.427 119.185 114.554 0.340 0.000 2.753 53 T HA 0.712 5.062 4.350 0.001 0.000 0.297 53 T C -0.741 174.119 174.700 0.267 0.000 0.981 53 T CA -0.028 62.246 62.100 0.290 0.000 0.956 53 T CB 0.193 69.358 68.868 0.494 0.000 0.936 53 T HN 0.622 nan 8.240 nan 0.000 0.463 54 F N -0.077 119.969 119.950 0.160 0.000 2.773 54 F HA 0.647 5.175 4.527 0.001 0.000 0.314 54 F C -1.049 174.781 175.800 0.050 0.000 1.160 54 F CA -1.752 56.304 58.000 0.093 0.000 0.920 54 F CB 0.625 39.672 39.000 0.078 0.000 1.323 54 F HN 0.212 nan 8.300 nan 0.000 0.457 55 D N 0.770 121.356 120.400 0.310 0.000 2.345 55 D HA 0.421 5.062 4.640 0.001 0.000 0.247 55 D C -0.872 175.583 176.300 0.258 0.000 1.108 55 D CA 0.022 54.129 54.000 0.178 0.000 0.894 55 D CB 0.879 41.750 40.800 0.117 0.000 1.203 55 D HN 0.571 nan 8.370 nan 0.000 0.430 56 R N 2.578 123.160 120.500 0.137 0.000 2.343 56 R HA 0.510 4.850 4.340 0.001 0.000 0.320 56 R C -0.830 175.504 176.300 0.056 0.000 0.956 56 R CA -0.485 55.692 56.100 0.129 0.000 0.836 56 R CB 1.078 31.424 30.300 0.077 0.000 1.151 56 R HN 0.385 nan 8.270 nan 0.000 0.450 57 L N 2.321 123.572 121.223 0.047 0.000 2.307 57 L HA 0.518 4.859 4.340 0.001 0.000 0.284 57 L C -0.194 176.678 176.870 0.003 0.000 1.023 57 L CA -0.522 54.327 54.840 0.015 0.000 0.810 57 L CB 1.720 43.785 42.059 0.009 0.000 1.231 57 L HN 0.469 nan 8.230 nan 0.000 0.423 58 Q N 2.498 122.290 119.800 -0.012 0.000 2.285 58 Q HA 0.578 4.919 4.340 0.001 0.000 0.269 58 Q C -1.834 174.149 176.000 -0.029 0.000 1.030 58 Q CA -0.536 55.253 55.803 -0.023 0.000 0.788 58 Q CB 2.678 31.386 28.738 -0.051 0.000 1.266 58 Q HN 0.442 nan 8.270 nan 0.000 0.438 59 V N 5.615 125.522 119.914 -0.012 0.000 2.409 59 V HA 0.423 4.544 4.120 0.001 0.000 0.290 59 V C -0.566 175.550 176.094 0.036 0.000 1.017 59 V CA -0.618 61.680 62.300 -0.004 0.000 0.841 59 V CB 1.382 33.201 31.823 -0.007 0.000 1.003 59 V HN 0.716 nan 8.190 nan 0.000 0.426 60 L N 5.507 126.711 121.223 -0.031 0.000 2.295 60 L HA 0.649 4.989 4.340 0.001 0.000 0.285 60 L C 0.033 176.967 176.870 0.106 0.000 1.035 60 L CA -0.479 54.293 54.840 -0.113 0.000 0.806 60 L CB 1.435 43.173 42.059 -0.534 0.000 1.214 60 L HN 0.713 nan 8.230 nan 0.000 0.426 61 D N 0.605 121.136 120.400 0.219 0.000 2.616 61 D HA 0.193 4.833 4.640 0.001 0.000 0.260 61 D C 0.934 177.403 176.300 0.282 0.000 1.158 61 D CA -0.244 53.895 54.000 0.231 0.000 1.085 61 D CB 0.850 41.772 40.800 0.203 0.000 1.222 61 D HN 0.407 nan 8.370 nan 0.000 0.626 62 S N -1.246 114.541 115.700 0.145 0.000 2.402 62 S HA -0.197 4.273 4.470 0.001 0.000 0.229 62 S C 1.659 176.303 174.600 0.072 0.000 1.021 62 S CA 0.791 59.045 58.200 0.089 0.000 0.974 62 S CB -0.803 62.358 63.200 -0.065 0.000 0.800 62 S HN 0.474 nan 8.310 nan 0.000 0.484 63 H N 0.057 119.214 119.070 0.145 0.000 2.321 63 H HA -0.045 4.511 4.556 0.001 0.000 0.300 63 H C 1.955 177.310 175.328 0.045 0.000 1.087 63 H CA 1.748 57.856 56.048 0.099 0.000 1.319 63 H CB -0.839 28.998 29.762 0.126 0.000 1.379 63 H HN 0.650 nan 8.280 nan 0.000 0.501 64 Y N 1.446 121.769 120.300 0.037 0.000 2.128 64 Y HA -0.276 4.274 4.550 0.001 0.000 0.284 64 Y C 2.735 178.486 175.900 -0.248 0.000 1.154 64 Y CA 1.806 59.742 58.100 -0.274 0.000 1.149 64 Y CB -0.292 37.837 38.460 -0.552 0.000 0.976 64 Y HN 0.254 nan 8.280 nan 0.000 0.505 65 H N -0.339 118.807 119.070 0.126 0.000 2.423 65 H HA -0.124 4.433 4.556 0.001 0.000 0.297 65 H C 1.671 176.969 175.328 -0.050 0.000 1.075 65 H CA 1.507 57.580 56.048 0.042 0.000 1.342 65 H CB -0.209 29.611 29.762 0.097 0.000 1.395 65 H HN 0.477 nan 8.280 nan 0.000 0.530 66 D N 0.382 120.827 120.400 0.075 0.000 2.097 66 D HA -0.116 4.524 4.640 0.001 0.000 0.195 66 D C 2.425 178.707 176.300 -0.030 0.000 0.989 66 D CA 0.680 54.700 54.000 0.033 0.000 0.827 66 D CB -0.330 40.506 40.800 0.060 0.000 0.966 66 D HN 0.112 nan 8.370 nan 0.000 0.456 67 V N 1.075 120.928 119.914 -0.102 0.000 2.343 67 V HA -0.199 3.921 4.120 0.001 0.000 0.247 67 V C 2.469 178.451 176.094 -0.186 0.000 1.051 67 V CA 0.961 63.166 62.300 -0.159 0.000 1.036 67 V CB -0.437 31.229 31.823 -0.262 0.000 0.654 67 V HN 0.128 nan 8.190 nan 0.000 0.451 68 L N 0.293 121.330 121.223 -0.310 0.000 2.079 68 L HA -0.184 4.157 4.340 0.001 0.000 0.210 68 L C 2.368 179.183 176.870 -0.093 0.000 1.081 68 L CA 1.958 56.644 54.840 -0.257 0.000 0.752 68 L CB -0.716 41.136 42.059 -0.344 0.000 0.896 68 L HN 0.246 nan 8.230 nan 0.000 0.433 69 K N -0.559 119.813 120.400 -0.047 0.000 2.097 69 K HA -0.175 4.146 4.320 0.001 0.000 0.206 69 K C 1.934 178.530 176.600 -0.006 0.000 1.049 69 K CA 1.682 57.964 56.287 -0.009 0.000 0.933 69 K CB -0.202 32.305 32.500 0.011 0.000 0.717 69 K HN 0.473 nan 8.250 nan 0.000 0.442 70 E N 0.531 120.727 120.200 -0.007 0.000 2.070 70 E HA -0.197 4.153 4.350 0.001 0.000 0.197 70 E C 2.068 178.679 176.600 0.019 0.000 1.004 70 E CA 1.481 57.889 56.400 0.014 0.000 0.805 70 E CB -0.114 29.604 29.700 0.030 0.000 0.744 70 E HN 0.038 nan 8.360 nan 0.000 0.451 71 V N 1.487 121.411 119.914 0.016 0.000 2.343 71 V HA -0.258 3.862 4.120 0.001 0.000 0.247 71 V C 2.101 178.191 176.094 -0.006 0.000 1.051 71 V CA 1.775 64.086 62.300 0.018 0.000 1.036 71 V CB -0.370 31.465 31.823 0.021 0.000 0.654 71 V HN 0.203 nan 8.190 nan 0.000 0.451 72 K N 0.199 120.591 120.400 -0.012 0.000 2.097 72 K HA -0.078 4.243 4.320 0.001 0.000 0.205 72 K C 2.284 178.883 176.600 -0.001 0.000 1.050 72 K CA 1.352 57.634 56.287 -0.009 0.000 0.938 72 K CB -0.354 32.142 32.500 -0.008 0.000 0.718 72 K HN 0.477 nan 8.250 nan 0.000 0.442 73 A N 1.571 124.392 122.820 0.002 0.000 1.898 73 A HA -0.072 4.249 4.320 0.001 0.000 0.216 73 A C 2.366 179.952 177.584 0.002 0.000 1.181 73 A CA 1.715 53.754 52.037 0.004 0.000 0.620 73 A CB -0.559 18.445 19.000 0.007 0.000 0.819 73 A HN 0.312 nan 8.150 nan 0.000 0.442 74 A N -0.213 122.607 122.820 0.000 0.000 1.969 74 A HA 0.242 4.562 4.320 0.001 0.000 0.218 74 A C 2.414 179.990 177.584 -0.014 0.000 1.169 74 A CA 1.709 53.741 52.037 -0.008 0.000 0.635 74 A CB -0.847 18.145 19.000 -0.014 0.000 0.810 74 A HN 1.025 nan 8.150 nan 0.000 0.445 75 A N 0.572 123.385 122.820 -0.011 0.000 2.019 75 A HA -0.085 4.236 4.320 0.001 0.000 0.219 75 A C 2.378 179.965 177.584 0.004 0.000 1.164 75 A CA 2.037 54.071 52.037 -0.005 0.000 0.644 75 A CB -0.930 18.073 19.000 0.006 0.000 0.805 75 A HN 1.027 nan 8.150 nan 0.000 0.449 76 S N -0.500 115.203 115.700 0.005 0.000 2.469 76 S HA -0.117 4.353 4.470 0.001 0.000 0.238 76 S C 1.446 176.049 174.600 0.005 0.000 0.998 76 S CA 1.477 59.682 58.200 0.008 0.000 0.957 76 S CB -0.212 62.992 63.200 0.008 0.000 0.764 76 S HN 0.425 nan 8.310 nan 0.000 0.514 77 K N 1.060 121.459 120.400 -0.001 0.000 2.459 77 K HA 0.316 4.637 4.320 0.001 0.000 0.193 77 K C -0.051 176.545 176.600 -0.006 0.000 1.030 77 K CA -0.019 56.266 56.287 -0.004 0.000 1.026 77 K CB -0.117 32.378 32.500 -0.008 0.000 0.809 77 K HN 0.307 nan 8.250 nan 0.000 0.504 78 V N 1.829 121.739 119.914 -0.006 0.000 2.498 78 V HA 0.168 4.288 4.120 0.001 0.000 0.279 78 V C -0.033 176.063 176.094 0.003 0.000 1.048 78 V CA -0.705 61.590 62.300 -0.007 0.000 0.967 78 V CB 1.239 33.056 31.823 -0.011 0.000 0.988 78 V HN 0.037 nan 8.190 nan 0.000 0.473 79 K N 4.106 124.507 120.400 0.001 0.000 2.394 79 K HA 0.746 5.066 4.320 0.001 0.000 0.260 79 K C -0.630 175.974 176.600 0.007 0.000 0.967 79 K CA -0.387 55.904 56.287 0.008 0.000 0.855 79 K CB 1.354 33.858 32.500 0.008 0.000 1.101 79 K HN 0.808 nan 8.250 nan 0.000 0.433 80 A N 4.219 127.047 122.820 0.014 0.000 2.350 80 A HA 0.520 4.840 4.320 0.001 0.000 0.324 80 A C -0.978 176.622 177.584 0.027 0.000 1.118 80 A CA -0.969 51.076 52.037 0.015 0.000 0.783 80 A CB 0.839 19.843 19.000 0.008 0.000 1.236 80 A HN 0.835 nan 8.150 nan 0.000 0.457 81 N N 1.027 119.745 118.700 0.031 0.000 2.443 81 N HA 0.435 5.176 4.740 0.001 0.000 0.293 81 N C -0.746 174.789 175.510 0.043 0.000 1.159 81 N CA -0.477 52.593 53.050 0.033 0.000 0.904 81 N CB 1.514 40.016 38.487 0.024 0.000 1.214 81 N HN 0.586 nan 8.380 nan 0.000 0.513 82 L N 1.441 122.684 121.223 0.034 0.000 2.439 82 L HA 0.128 4.468 4.340 0.001 0.000 0.269 82 L C -0.043 176.813 176.870 -0.025 0.000 1.179 82 L CA -0.440 54.408 54.840 0.014 0.000 0.828 82 L CB 0.317 42.376 42.059 0.000 0.000 1.106 82 L HN 0.219 nan 8.230 nan 0.000 0.467 83 L N 2.003 123.196 121.223 -0.051 0.000 2.357 83 L HA 0.261 4.601 4.340 0.001 0.000 0.273 83 L C 0.489 177.255 176.870 -0.175 0.000 1.080 83 L CA 0.263 55.052 54.840 -0.084 0.000 0.803 83 L CB 1.541 43.559 42.059 -0.068 0.000 1.174 83 L HN 0.709 nan 8.230 nan 0.000 0.443 84 S N 1.296 116.899 115.700 -0.161 0.000 2.584 84 S HA 0.185 4.656 4.470 0.001 0.000 0.270 84 S C 1.354 175.817 174.600 -0.228 0.000 1.346 84 S CA -0.706 57.372 58.200 -0.203 0.000 1.018 84 S CB 0.768 63.869 63.200 -0.166 0.000 0.899 84 S HN 0.337 nan 8.310 nan 0.000 0.542 85 V N 1.792 121.552 119.914 -0.258 0.000 2.324 85 V HA -0.195 3.926 4.120 0.001 0.000 0.250 85 V C 2.636 178.618 176.094 -0.187 0.000 1.060 85 V CA 2.455 64.620 62.300 -0.225 0.000 1.042 85 V CB -1.347 30.350 31.823 -0.210 0.000 0.650 85 V HN 0.863 nan 8.190 nan 0.000 0.450 86 E N 0.124 120.177 120.200 -0.245 0.000 2.058 86 E HA -0.207 4.143 4.350 0.001 0.000 0.194 86 E C 2.213 178.703 176.600 -0.182 0.000 0.997 86 E CA 1.480 57.663 56.400 -0.363 0.000 0.801 86 E CB -0.321 29.100 29.700 -0.465 0.000 0.746 86 E HN 0.678 nan 8.360 nan 0.000 0.450 87 E N 0.034 120.142 120.200 -0.152 0.000 2.077 87 E HA -0.167 4.183 4.350 0.001 0.000 0.193 87 E C 2.020 178.548 176.600 -0.120 0.000 0.989 87 E CA 1.031 57.363 56.400 -0.114 0.000 0.800 87 E CB -0.164 29.466 29.700 -0.117 0.000 0.746 87 E HN 0.277 nan 8.360 nan 0.000 0.452 88 A N 0.667 123.410 122.820 -0.129 0.000 1.930 88 A HA -0.165 4.156 4.320 0.001 0.000 0.217 88 A C 2.413 179.953 177.584 -0.074 0.000 1.175 88 A CA 0.985 52.947 52.037 -0.124 0.000 0.627 88 A CB -0.773 18.160 19.000 -0.111 0.000 0.815 88 A HN 0.350 nan 8.150 nan 0.000 0.443 89 C N -0.487 118.800 119.300 -0.022 0.000 2.413 89 C HA -0.089 4.372 4.460 0.001 0.000 0.276 89 C C 3.147 178.151 174.990 0.023 0.000 1.248 89 C CA 1.498 60.542 59.018 0.043 0.000 1.742 89 C CB -1.229 26.629 27.740 0.197 0.000 2.017 89 C HN 0.600 nan 8.230 nan 0.000 0.481 90 S N 0.578 116.314 115.700 0.059 0.000 2.474 90 S HA 0.034 4.505 4.470 0.001 0.000 0.235 90 S C 1.432 176.028 174.600 -0.008 0.000 0.997 90 S CA 0.768 58.988 58.200 0.034 0.000 0.949 90 S CB -0.264 62.979 63.200 0.072 0.000 0.766 90 S HN 0.592 nan 8.310 nan 0.000 0.517 91 L N 1.233 122.409 121.223 -0.078 0.000 2.599 91 L HA 0.070 4.410 4.340 0.001 0.000 0.230 91 L C 0.294 177.104 176.870 -0.100 0.000 1.141 91 L CA 0.348 55.112 54.840 -0.128 0.000 0.877 91 L CB -0.376 41.502 42.059 -0.302 0.000 1.009 91 L HN 0.125 nan 8.230 nan 0.000 0.447 92 T N 1.759 116.255 114.554 -0.098 0.000 2.794 92 T HA 0.222 4.572 4.350 0.001 0.000 0.296 92 T C -2.288 172.256 174.700 -0.260 0.000 0.949 92 T CA -1.157 60.857 62.100 -0.142 0.000 1.101 92 T CB 1.061 69.864 68.868 -0.109 0.000 0.905 92 T HN -0.126 nan 8.240 nan 0.000 0.516 93 P HA 0.149 nan 4.420 nan 0.000 0.269 93 P C -1.940 174.997 177.300 -0.606 0.000 1.209 93 P CA -1.412 61.334 63.100 -0.591 0.000 0.776 93 P CB 0.160 31.420 31.700 -0.733 0.000 0.876 94 P HA -0.135 nan 4.420 nan 0.000 0.223 94 P C 0.848 178.027 177.300 -0.201 0.000 1.151 94 P CA 1.454 64.352 63.100 -0.337 0.000 0.787 94 P CB -0.377 31.166 31.700 -0.262 0.000 0.788 95 H N -3.309 115.671 119.070 -0.149 0.000 2.529 95 H HA 0.280 4.837 4.556 0.001 0.000 0.277 95 H C 0.342 175.611 175.328 -0.098 0.000 1.004 95 H CA -0.187 55.801 56.048 -0.100 0.000 1.167 95 H CB -0.286 29.430 29.762 -0.077 0.000 1.445 95 H HN -0.089 nan 8.280 nan 0.000 0.554 96 S N 1.127 116.639 115.700 -0.314 0.000 2.558 96 S HA 0.321 4.791 4.470 0.001 0.000 0.288 96 S C 0.614 175.145 174.600 -0.114 0.000 1.318 96 S CA -0.161 57.907 58.200 -0.220 0.000 1.056 96 S CB 0.057 63.127 63.200 -0.217 0.000 0.853 96 S HN 0.660 nan 8.310 nan 0.000 0.505 97 A N 5.025 127.779 122.820 -0.110 0.000 2.546 97 A HA 0.222 4.543 4.320 0.001 0.000 0.243 97 A C 0.585 178.150 177.584 -0.033 0.000 1.063 97 A CA -0.148 51.857 52.037 -0.053 0.000 0.757 97 A CB -0.182 18.797 19.000 -0.035 0.000 0.991 97 A HN 0.885 nan 8.150 nan 0.000 0.503 98 K N 2.291 122.665 120.400 -0.043 0.000 2.380 98 K HA 0.263 4.583 4.320 0.001 0.000 0.267 98 K C 0.372 176.884 176.600 -0.146 0.000 0.990 98 K CA 0.236 56.465 56.287 -0.096 0.000 0.946 98 K CB 0.373 32.818 32.500 -0.092 0.000 0.937 98 K HN 0.490 nan 8.250 nan 0.000 0.491 99 S N 0.230 115.732 115.700 -0.330 0.000 2.603 99 S HA 0.015 4.485 4.470 0.001 0.000 0.268 99 S C 0.918 175.301 174.600 -0.362 0.000 1.317 99 S CA -0.559 57.411 58.200 -0.384 0.000 1.012 99 S CB 1.036 63.730 63.200 -0.844 0.000 0.926 99 S HN 0.834 nan 8.310 nan 0.000 0.539 100 K N 1.775 121.935 120.400 -0.400 0.000 2.439 100 K HA 0.013 4.333 4.320 0.001 0.000 0.197 100 K C -0.125 176.044 176.600 -0.719 0.000 1.041 100 K CA 1.032 56.961 56.287 -0.596 0.000 0.970 100 K CB -0.165 31.849 32.500 -0.809 0.000 0.773 100 K HN 0.712 nan 8.250 nan 0.000 0.479 101 F N 0.257 120.013 119.950 -0.322 0.000 2.837 101 F HA 0.317 4.844 4.527 0.001 0.000 0.298 101 F C 0.998 176.693 175.800 -0.175 0.000 1.161 101 F CA 0.034 57.856 58.000 -0.297 0.000 1.353 101 F CB 1.006 39.664 39.000 -0.570 0.000 0.951 101 F HN 0.146 nan 8.300 nan 0.000 0.508 102 G N 0.212 108.967 108.800 -0.076 0.000 2.131 102 G HA2 -0.267 3.693 3.960 0.001 0.000 0.223 102 G HA3 -0.267 3.693 3.960 0.001 0.000 0.223 102 G C -0.313 174.672 174.900 0.142 0.000 0.990 102 G CA 0.063 45.187 45.100 0.041 0.000 0.671 102 G HN 0.546 nan 8.290 nan 0.000 0.521 103 Y N -2.460 117.837 120.300 -0.005 0.000 2.670 103 Y HA 0.802 5.353 4.550 0.001 0.000 0.334 103 Y C 0.383 176.283 175.900 0.000 0.000 1.185 103 Y CA -1.028 57.073 58.100 0.002 0.000 1.053 103 Y CB 0.643 39.113 38.460 0.017 0.000 1.298 103 Y HN 0.708 nan 8.280 nan 0.000 0.459 104 G N -0.423 108.466 108.800 0.150 0.000 3.140 104 G HA2 0.535 4.495 3.960 0.001 0.000 0.271 104 G HA3 0.535 4.495 3.960 0.001 0.000 0.271 104 G C 0.156 175.115 174.900 0.098 0.000 1.370 104 G CA -0.753 44.372 45.100 0.043 0.000 1.014 104 G HN 1.178 nan 8.290 nan 0.000 0.541 105 A N -0.344 122.482 122.820 0.009 0.000 1.940 105 A HA -0.065 4.256 4.320 0.001 0.000 0.219 105 A C 2.124 179.676 177.584 -0.054 0.000 1.176 105 A CA 2.350 54.366 52.037 -0.034 0.000 0.631 105 A CB -0.507 18.427 19.000 -0.111 0.000 0.814 105 A HN 0.624 nan 8.150 nan 0.000 0.446 106 K N -0.424 119.947 120.400 -0.049 0.000 2.057 106 K HA -0.199 4.121 4.320 0.001 0.000 0.207 106 K C 1.335 177.904 176.600 -0.051 0.000 1.049 106 K CA 1.719 57.966 56.287 -0.066 0.000 0.931 106 K CB -0.216 32.253 32.500 -0.051 0.000 0.714 106 K HN 0.459 nan 8.250 nan 0.000 0.440 107 D N 0.302 120.706 120.400 0.007 0.000 2.097 107 D HA -0.146 4.495 4.640 0.001 0.000 0.195 107 D C 2.035 178.323 176.300 -0.020 0.000 0.989 107 D CA 1.206 55.215 54.000 0.015 0.000 0.827 107 D CB -0.225 40.634 40.800 0.098 0.000 0.966 107 D HN 0.067 nan 8.370 nan 0.000 0.456 108 V N 1.448 121.377 119.914 0.025 0.000 2.287 108 V HA -0.239 3.881 4.120 0.001 0.000 0.248 108 V C 2.494 178.538 176.094 -0.083 0.000 1.053 108 V CA 1.613 63.914 62.300 0.002 0.000 1.027 108 V CB -0.415 31.450 31.823 0.070 0.000 0.646 108 V HN 0.138 nan 8.190 nan 0.000 0.447 109 R N -1.011 119.401 120.500 -0.145 0.000 2.148 109 R HA -0.111 4.229 4.340 0.001 0.000 0.227 109 R C 2.034 178.056 176.300 -0.464 0.000 1.103 109 R CA 1.558 57.499 56.100 -0.265 0.000 0.983 109 R CB -0.523 29.641 30.300 -0.227 0.000 0.874 109 R HN 0.453 nan 8.270 nan 0.000 0.451 110 C N -0.369 118.740 119.300 -0.319 0.000 2.626 110 C HA 0.111 4.571 4.460 0.001 0.000 0.266 110 C C 0.074 174.908 174.990 -0.260 0.000 1.317 110 C CA -0.167 58.673 59.018 -0.297 0.000 1.716 110 C CB -1.563 26.096 27.740 -0.135 0.000 1.819 110 C HN 0.651 nan 8.230 nan 0.000 0.578 111 H N -0.629 118.407 119.070 -0.058 0.000 2.770 111 H HA -0.179 4.377 4.556 0.001 0.000 0.309 111 H C 0.728 176.014 175.328 -0.070 0.000 1.206 111 H CA 0.017 56.024 56.048 -0.069 0.000 1.147 111 H CB -1.456 28.268 29.762 -0.063 0.000 1.422 111 H HN 0.653 nan 8.280 nan 0.000 0.420 112 A N 0.862 123.679 122.820 -0.005 0.000 2.483 112 A HA 0.153 4.473 4.320 0.001 0.000 0.238 112 A C 1.622 179.178 177.584 -0.047 0.000 1.070 112 A CA 0.455 52.477 52.037 -0.026 0.000 0.770 112 A CB 0.299 19.278 19.000 -0.034 0.000 1.008 112 A HN 0.640 nan 8.150 nan 0.000 0.497 113 R N 1.042 121.522 120.500 -0.035 0.000 2.081 113 R HA -0.145 4.196 4.340 0.001 0.000 0.235 113 R C 1.971 178.234 176.300 -0.063 0.000 1.131 113 R CA 1.978 58.054 56.100 -0.040 0.000 0.960 113 R CB -0.176 30.111 30.300 -0.021 0.000 0.856 113 R HN 0.836 nan 8.270 nan 0.000 0.436 114 K N -0.134 120.228 120.400 -0.063 0.000 2.025 114 K HA -0.094 4.226 4.320 0.001 0.000 0.207 114 K C 1.957 178.427 176.600 -0.217 0.000 1.049 114 K CA 1.315 57.563 56.287 -0.064 0.000 0.933 114 K CB -0.155 32.346 32.500 0.002 0.000 0.714 114 K HN 0.252 nan 8.250 nan 0.000 0.438 115 A N 0.697 123.271 122.820 -0.410 0.000 1.877 115 A HA -0.125 4.195 4.320 0.001 0.000 0.216 115 A C 2.237 179.527 177.584 -0.490 0.000 1.186 115 A CA 1.764 53.229 52.037 -0.954 0.000 0.620 115 A CB -0.746 17.835 19.000 -0.698 0.000 0.822 115 A HN 0.179 nan 8.150 nan 0.000 0.443 116 V N -0.148 119.624 119.914 -0.237 0.000 2.407 116 V HA -0.224 3.896 4.120 0.001 0.000 0.248 116 V C 3.022 179.054 176.094 -0.102 0.000 1.055 116 V CA 1.821 64.041 62.300 -0.134 0.000 1.049 116 V CB -1.205 30.567 31.823 -0.085 0.000 0.662 116 V HN 0.627 nan 8.190 nan 0.000 0.455 117 A N -0.330 122.440 122.820 -0.085 0.000 1.902 117 A HA -0.298 4.022 4.320 0.001 0.000 0.217 117 A C 2.122 179.697 177.584 -0.015 0.000 1.181 117 A CA 2.318 54.332 52.037 -0.039 0.000 0.623 117 A CB -0.807 18.184 19.000 -0.015 0.000 0.818 117 A HN 0.731 nan 8.150 nan 0.000 0.443 118 H N -0.172 118.834 119.070 -0.105 0.000 2.357 118 H HA 0.002 4.558 4.556 0.001 0.000 0.301 118 H C 1.726 177.043 175.328 -0.019 0.000 1.082 118 H CA 1.879 57.901 56.048 -0.044 0.000 1.342 118 H CB -0.275 29.536 29.762 0.081 0.000 1.389 118 H HN 0.412 nan 8.280 nan 0.000 0.511 119 I N 0.386 120.915 120.570 -0.068 0.000 2.208 119 I HA -0.332 3.838 4.170 0.001 0.000 0.245 119 I C 2.108 178.193 176.117 -0.053 0.000 1.097 119 I CA 1.308 62.575 61.300 -0.057 0.000 1.363 119 I CB -0.364 37.626 38.000 -0.016 0.000 1.051 119 I HN 0.399 nan 8.210 nan 0.000 0.413 120 N N 0.603 119.271 118.700 -0.052 0.000 2.166 120 N HA -0.159 4.581 4.740 0.001 0.000 0.186 120 N C 2.086 177.602 175.510 0.011 0.000 1.019 120 N CA 1.912 54.961 53.050 -0.001 0.000 0.856 120 N CB -0.289 38.184 38.487 -0.023 0.000 0.993 120 N HN 0.439 nan 8.380 nan 0.000 0.426 121 S N 0.135 115.786 115.700 -0.082 0.000 2.383 121 S HA -0.042 4.428 4.470 0.001 0.000 0.227 121 S C 2.193 176.709 174.600 -0.140 0.000 1.026 121 S CA 0.885 59.020 58.200 -0.108 0.000 0.981 121 S CB -0.629 62.486 63.200 -0.141 0.000 0.818 121 S HN 0.026 nan 8.310 nan 0.000 0.472 122 V N 0.722 120.508 119.914 -0.213 0.000 2.358 122 V HA -0.098 4.022 4.120 0.001 0.000 0.246 122 V C 2.234 178.317 176.094 -0.019 0.000 1.047 122 V CA 1.661 63.863 62.300 -0.164 0.000 1.035 122 V CB -1.057 30.653 31.823 -0.188 0.000 0.658 122 V HN 0.707 nan 8.190 nan 0.000 0.452 123 W N 1.512 122.740 121.300 -0.121 0.000 2.355 123 W HA -0.221 4.440 4.660 0.001 0.000 0.309 123 W C 2.511 178.988 176.519 -0.069 0.000 1.206 123 W CA 2.227 59.525 57.345 -0.077 0.000 1.284 123 W CB -0.127 29.295 29.460 -0.064 0.000 1.145 123 W HN 0.234 nan 8.180 nan 0.000 0.502 124 K N 0.590 121.021 120.400 0.052 0.000 2.103 124 K HA -0.280 4.040 4.320 0.001 0.000 0.207 124 K C 1.698 178.220 176.600 -0.130 0.000 1.048 124 K CA 2.307 58.568 56.287 -0.043 0.000 0.930 124 K CB -0.561 31.945 32.500 0.010 0.000 0.716 124 K HN 0.032 nan 8.250 nan 0.000 0.444 125 D N 0.082 120.408 120.400 -0.123 0.000 2.178 125 D HA -0.107 4.533 4.640 0.001 0.000 0.202 125 D C 1.910 178.105 176.300 -0.174 0.000 0.974 125 D CA 0.773 54.697 54.000 -0.128 0.000 0.841 125 D CB 0.111 40.845 40.800 -0.110 0.000 0.953 125 D HN 0.217 nan 8.370 nan 0.000 0.478 126 L N -0.038 121.035 121.223 -0.251 0.000 2.083 126 L HA -0.114 4.227 4.340 0.001 0.000 0.209 126 L C 2.346 179.009 176.870 -0.345 0.000 1.083 126 L CA 0.647 55.297 54.840 -0.318 0.000 0.752 126 L CB -0.313 41.476 42.059 -0.450 0.000 0.899 126 L HN 0.214 nan 8.230 nan 0.000 0.433 127 L N -0.856 120.123 121.223 -0.405 0.000 2.291 127 L HA -0.138 4.202 4.340 0.001 0.000 0.214 127 L C 2.056 178.819 176.870 -0.178 0.000 1.120 127 L CA 1.056 55.708 54.840 -0.312 0.000 0.799 127 L CB -0.271 41.607 42.059 -0.302 0.000 0.925 127 L HN 0.323 nan 8.230 nan 0.000 0.446 128 E N -1.338 118.772 120.200 -0.151 0.000 2.389 128 E HA -0.003 4.347 4.350 0.001 0.000 0.199 128 E C 0.044 176.593 176.600 -0.085 0.000 0.978 128 E CA -0.000 56.341 56.400 -0.098 0.000 0.912 128 E CB 0.627 30.281 29.700 -0.077 0.000 0.907 128 E HN 0.142 nan 8.360 nan 0.000 0.494 129 D N -0.373 119.967 120.400 -0.099 0.000 2.696 129 D HA 0.189 4.829 4.640 0.001 0.000 0.251 129 D C -0.536 175.711 176.300 -0.089 0.000 1.188 129 D CA -0.430 53.523 54.000 -0.079 0.000 0.876 129 D CB 1.739 42.498 40.800 -0.068 0.000 1.334 129 D HN -0.279 nan 8.370 nan 0.000 0.540 130 S N 2.215 117.873 115.700 -0.071 0.000 2.663 130 S HA 0.114 4.584 4.470 0.001 0.000 0.243 130 S C 0.933 175.503 174.600 -0.051 0.000 1.009 130 S CA -0.261 57.897 58.200 -0.070 0.000 0.988 130 S CB 1.073 64.235 63.200 -0.062 0.000 0.896 130 S HN 0.444 nan 8.310 nan 0.000 0.502 131 V N 0.868 120.757 119.914 -0.042 0.000 3.159 131 V HA 0.188 4.308 4.120 0.001 0.000 0.234 131 V C 0.124 176.209 176.094 -0.016 0.000 1.313 131 V CA 0.708 62.992 62.300 -0.025 0.000 1.271 131 V CB 0.301 32.113 31.823 -0.019 0.000 1.053 131 V HN 0.335 nan 8.190 nan 0.000 0.476 132 T N 4.754 119.296 114.554 -0.019 0.000 2.784 132 T HA 0.248 4.599 4.350 0.001 0.000 0.291 132 T C -2.516 172.181 174.700 -0.004 0.000 0.942 132 T CA -0.432 61.665 62.100 -0.005 0.000 1.161 132 T CB 0.777 69.641 68.868 -0.006 0.000 0.885 132 T HN 0.332 nan 8.240 nan 0.000 0.534 133 P HA 0.124 nan 4.420 nan 0.000 0.265 133 P C -0.196 177.100 177.300 -0.007 0.000 1.187 133 P CA -0.012 63.094 63.100 0.010 0.000 0.766 133 P CB 0.365 32.103 31.700 0.063 0.000 0.820 134 I N 2.362 122.914 120.570 -0.031 0.000 2.440 134 I HA 0.164 4.334 4.170 0.001 0.000 0.294 134 I C 0.936 177.040 176.117 -0.023 0.000 0.995 134 I CA -0.518 60.772 61.300 -0.017 0.000 1.306 134 I CB 0.797 38.781 38.000 -0.026 0.000 1.407 134 I HN 0.286 nan 8.210 nan 0.000 0.501 135 D N 3.904 124.307 120.400 0.004 0.000 2.382 135 D HA 0.211 4.851 4.640 0.001 0.000 0.240 135 D C -0.378 175.896 176.300 -0.043 0.000 1.146 135 D CA 0.299 54.288 54.000 -0.017 0.000 0.897 135 D CB 0.879 41.685 40.800 0.011 0.000 1.197 135 D HN 0.624 nan 8.370 nan 0.000 0.432 136 T N -1.222 113.278 114.554 -0.090 0.000 2.896 136 T HA 0.589 4.939 4.350 0.001 0.000 0.297 136 T C -0.412 174.150 174.700 -0.231 0.000 1.108 136 T CA -0.931 61.080 62.100 -0.148 0.000 1.004 136 T CB 1.434 70.236 68.868 -0.109 0.000 1.159 136 T HN 0.179 nan 8.240 nan 0.000 0.499 137 T N 2.252 116.523 114.554 -0.471 0.000 2.829 137 T HA 0.588 4.938 4.350 0.001 0.000 0.282 137 T C -0.349 174.089 174.700 -0.437 0.000 0.990 137 T CA -0.623 61.168 62.100 -0.515 0.000 1.028 137 T CB 0.779 69.170 68.868 -0.795 0.000 0.951 137 T HN 0.727 nan 8.240 nan 0.000 0.460 138 I N 4.093 124.564 120.570 -0.165 0.000 2.377 138 I HA 0.525 4.696 4.170 0.001 0.000 0.293 138 I C -0.977 175.164 176.117 0.040 0.000 0.987 138 I CA -0.769 60.521 61.300 -0.016 0.000 1.185 138 I CB 0.637 38.675 38.000 0.063 0.000 1.341 138 I HN 0.404 nan 8.210 nan 0.000 0.455 139 M N 6.351 126.029 119.600 0.131 0.000 2.550 139 M HA 0.474 4.955 4.480 0.001 0.000 0.292 139 M C -0.596 175.776 176.300 0.121 0.000 1.221 139 M CA -0.601 54.789 55.300 0.150 0.000 0.873 139 M CB 1.881 34.639 32.600 0.263 0.000 1.727 139 M HN 0.603 nan 8.290 nan 0.000 0.459 140 A N 2.360 125.230 122.820 0.084 0.000 2.309 140 A HA 0.419 4.739 4.320 0.001 0.000 0.290 140 A C -0.008 177.621 177.584 0.074 0.000 1.206 140 A CA -0.390 51.687 52.037 0.068 0.000 0.850 140 A CB 0.119 19.144 19.000 0.043 0.000 1.118 140 A HN 0.757 nan 8.150 nan 0.000 0.523 141 K N 2.328 122.774 120.400 0.076 0.000 2.401 141 K HA 0.041 4.362 4.320 0.001 0.000 0.278 141 K C -0.330 176.287 176.600 0.028 0.000 1.018 141 K CA 0.285 56.605 56.287 0.056 0.000 0.981 141 K CB 0.400 32.940 32.500 0.065 0.000 0.933 141 K HN 0.750 nan 8.250 nan 0.000 0.477 142 N N 3.816 122.509 118.700 -0.012 0.000 2.527 142 N HA 0.078 4.819 4.740 0.001 0.000 0.236 142 N C -1.061 174.342 175.510 -0.178 0.000 0.999 142 N CA -0.171 52.837 53.050 -0.070 0.000 0.935 142 N CB 0.883 39.339 38.487 -0.053 0.000 1.132 142 N HN 0.452 nan 8.380 nan 0.000 0.511 143 E N 1.085 121.150 120.200 -0.225 0.000 2.288 143 E HA 0.390 4.741 4.350 0.001 0.000 0.268 143 E C -0.847 175.321 176.600 -0.720 0.000 0.885 143 E CA -0.875 55.267 56.400 -0.430 0.000 0.767 143 E CB 2.728 32.232 29.700 -0.327 0.000 1.220 143 E HN 0.081 nan 8.360 nan 0.000 0.427 144 V N 3.162 122.501 119.914 -0.959 0.000 2.439 144 V HA 0.470 4.590 4.120 0.001 0.000 0.282 144 V C -0.761 174.643 176.094 -1.149 0.000 1.039 144 V CA -0.194 61.518 62.300 -0.979 0.000 0.913 144 V CB 0.126 31.448 31.823 -0.835 0.000 0.983 144 V HN 0.517 nan 8.190 nan 0.000 0.460 145 F N 2.167 121.726 119.950 -0.652 0.000 2.706 145 F HA 0.597 5.124 4.527 0.001 0.000 0.328 145 F C 0.060 175.697 175.800 -0.272 0.000 1.123 145 F CA -0.789 56.948 58.000 -0.438 0.000 0.978 145 F CB 1.267 40.026 39.000 -0.403 0.000 1.404 145 F HN 0.494 nan 8.300 nan 0.000 0.497 146 C N 1.945 121.370 119.300 0.207 0.000 2.319 146 C HA 0.746 5.206 4.460 0.001 0.000 0.335 146 C C 0.007 175.224 174.990 0.379 0.000 1.274 146 C CA -0.663 58.506 59.018 0.252 0.000 1.806 146 C CB 0.290 28.116 27.740 0.144 0.000 2.329 146 C HN 0.680 nan 8.230 nan 0.000 0.524 147 V N 7.497 127.648 119.914 0.396 0.000 2.740 147 V HA 0.272 4.392 4.120 0.001 0.000 0.303 147 V C -0.217 175.937 176.094 0.099 0.000 1.054 147 V CA 0.790 63.214 62.300 0.206 0.000 1.106 147 V CB 1.128 32.957 31.823 0.010 0.000 0.957 147 V HN 0.899 nan 8.190 nan 0.000 0.486 148 Q N 6.964 126.791 119.800 0.045 0.000 2.674 148 Q HA 0.303 4.644 4.340 0.001 0.000 0.249 148 Q C -2.105 173.885 176.000 -0.016 0.000 1.011 148 Q CA -1.707 54.105 55.803 0.015 0.000 0.734 148 Q CB 1.320 30.066 28.738 0.013 0.000 1.201 148 Q HN 0.579 nan 8.270 nan 0.000 0.498 149 P HA -0.241 nan 4.420 nan 0.000 0.220 149 P C 1.180 178.461 177.300 -0.031 0.000 1.144 149 P CA 1.434 64.512 63.100 -0.037 0.000 0.800 149 P CB 0.472 32.151 31.700 -0.034 0.000 0.772 150 E N 0.081 120.267 120.200 -0.023 0.000 2.122 150 E HA -0.134 4.216 4.350 0.001 0.000 0.190 150 E C 1.745 178.332 176.600 -0.022 0.000 0.977 150 E CA 1.114 57.502 56.400 -0.020 0.000 0.820 150 E CB -0.786 28.905 29.700 -0.015 0.000 0.770 150 E HN 0.089 nan 8.360 nan 0.000 0.462 151 K N 0.707 121.093 120.400 -0.023 0.000 2.504 151 K HA 0.023 4.344 4.320 0.001 0.000 0.195 151 K C 0.882 177.462 176.600 -0.035 0.000 1.036 151 K CA 0.970 57.241 56.287 -0.027 0.000 0.984 151 K CB -0.088 32.396 32.500 -0.027 0.000 0.788 151 K HN 0.361 nan 8.250 nan 0.000 0.488 152 G N -2.542 106.234 108.800 -0.039 0.000 2.234 152 G HA2 0.056 4.016 3.960 0.001 0.000 0.153 152 G HA3 0.056 4.016 3.960 0.001 0.000 0.153 152 G C 0.684 175.546 174.900 -0.064 0.000 1.013 152 G CA -0.052 45.020 45.100 -0.046 0.000 0.712 152 G HN 0.768 nan 8.290 nan 0.000 0.491 153 G N 0.022 108.779 108.800 -0.072 0.000 2.669 153 G HA2 -0.117 3.844 3.960 0.001 0.000 0.250 153 G HA3 -0.117 3.844 3.960 0.001 0.000 0.250 153 G C 0.021 174.819 174.900 -0.170 0.000 1.247 153 G CA 0.280 45.312 45.100 -0.113 0.000 0.958 153 G HN 0.906 nan 8.290 nan 0.000 0.559 154 R N 1.495 121.833 120.500 -0.270 0.000 2.428 154 R HA 0.504 4.845 4.340 0.001 0.000 0.294 154 R C 0.452 176.674 176.300 -0.129 0.000 1.000 154 R CA -0.255 55.590 56.100 -0.424 0.000 0.960 154 R CB 1.138 30.990 30.300 -0.748 0.000 1.076 154 R HN 0.746 nan 8.270 nan 0.000 0.475 155 K N 2.642 123.055 120.400 0.022 0.000 2.185 155 K HA 0.351 4.671 4.320 0.001 0.000 0.271 155 K C -2.357 174.271 176.600 0.048 0.000 1.013 155 K CA -1.741 54.531 56.287 -0.025 0.000 0.943 155 K CB 0.501 32.891 32.500 -0.182 0.000 0.998 155 K HN 0.194 nan 8.250 nan 0.000 0.468 156 P HA 0.031 nan 4.420 nan 0.000 0.274 156 P C -0.719 176.621 177.300 0.067 0.000 1.237 156 P CA -0.507 62.616 63.100 0.039 0.000 0.793 156 P CB 0.643 32.349 31.700 0.009 0.000 0.977 157 A N 2.875 125.742 122.820 0.078 0.000 2.498 157 A HA 0.097 4.418 4.320 0.001 0.000 0.239 157 A C 0.621 178.252 177.584 0.078 0.000 1.068 157 A CA -0.076 52.017 52.037 0.092 0.000 0.766 157 A CB -0.311 18.732 19.000 0.073 0.000 1.003 157 A HN 0.434 nan 8.150 nan 0.000 0.497 158 R N 0.651 121.213 120.500 0.103 0.000 2.582 158 R HA 0.375 4.715 4.340 0.001 0.000 0.271 158 R C -0.790 175.567 176.300 0.096 0.000 1.078 158 R CA -0.204 55.959 56.100 0.104 0.000 1.127 158 R CB 0.384 30.760 30.300 0.128 0.000 1.038 158 R HN 0.649 nan 8.270 nan 0.000 0.500 159 L N 2.955 124.239 121.223 0.101 0.000 2.309 159 L HA 0.435 4.775 4.340 0.001 0.000 0.282 159 L C -0.245 176.715 176.870 0.150 0.000 1.036 159 L CA -0.802 54.101 54.840 0.104 0.000 0.806 159 L CB 1.311 43.411 42.059 0.070 0.000 1.220 159 L HN 0.437 nan 8.230 nan 0.000 0.429 160 I N 3.500 124.176 120.570 0.178 0.000 2.441 160 I HA 0.507 4.678 4.170 0.001 0.000 0.295 160 I C -0.840 175.455 176.117 0.297 0.000 0.994 160 I CA -0.335 61.108 61.300 0.238 0.000 1.144 160 I CB 1.849 39.991 38.000 0.237 0.000 1.314 160 I HN 0.198 nan 8.210 nan 0.000 0.445 161 V N 8.928 129.018 119.914 0.294 0.000 2.443 161 V HA 0.564 4.685 4.120 0.001 0.000 0.293 161 V C -0.811 175.445 176.094 0.270 0.000 1.021 161 V CA -0.450 61.970 62.300 0.200 0.000 0.848 161 V CB 1.018 32.939 31.823 0.164 0.000 0.998 161 V HN 0.599 nan 8.190 nan 0.000 0.424 162 F N 5.132 125.134 119.950 0.086 0.000 2.601 162 F HA 0.957 5.484 4.527 0.001 0.000 0.309 162 F C -2.996 172.851 175.800 0.078 0.000 1.089 162 F CA -2.596 55.456 58.000 0.087 0.000 0.940 162 F CB 1.808 40.855 39.000 0.077 0.000 1.273 162 F HN 0.287 nan 8.300 nan 0.000 0.450 163 P HA 0.202 nan 4.420 nan 0.000 0.284 163 P C -1.159 176.273 177.300 0.220 0.000 1.292 163 P CA -0.173 63.005 63.100 0.129 0.000 0.800 163 P CB 1.094 32.879 31.700 0.142 0.000 1.188 164 D N -1.045 119.465 120.400 0.184 0.000 2.368 164 D HA -0.018 4.622 4.640 0.001 0.000 0.240 164 D C 1.352 177.793 176.300 0.236 0.000 1.169 164 D CA -0.348 53.783 54.000 0.219 0.000 0.906 164 D CB 0.292 41.262 40.800 0.284 0.000 1.187 164 D HN 0.092 nan 8.370 nan 0.000 0.435 165 L N 3.329 124.667 121.223 0.192 0.000 2.051 165 L HA -0.052 4.288 4.340 0.001 0.000 0.214 165 L C 2.019 179.049 176.870 0.266 0.000 1.076 165 L CA 2.657 57.604 54.840 0.177 0.000 0.758 165 L CB -1.162 40.947 42.059 0.084 0.000 0.890 165 L HN 0.673 nan 8.230 nan 0.000 0.433 166 G N -1.171 107.860 108.800 0.384 0.000 2.446 166 G HA2 -0.236 3.724 3.960 0.001 0.000 0.217 166 G HA3 -0.236 3.724 3.960 0.001 0.000 0.217 166 G C 1.554 176.595 174.900 0.235 0.000 1.168 166 G CA 1.231 46.586 45.100 0.425 0.000 0.771 166 G HN 0.364 nan 8.290 nan 0.000 0.551 167 V N 0.911 120.952 119.914 0.212 0.000 2.332 167 V HA -0.203 3.918 4.120 0.001 0.000 0.248 167 V C 2.946 179.141 176.094 0.168 0.000 1.055 167 V CA 2.089 64.484 62.300 0.159 0.000 1.038 167 V CB -0.497 31.408 31.823 0.137 0.000 0.651 167 V HN 0.349 nan 8.190 nan 0.000 0.450 168 R N -0.347 120.260 120.500 0.179 0.000 2.096 168 R HA -0.121 4.219 4.340 0.001 0.000 0.235 168 R C 2.203 178.583 176.300 0.134 0.000 1.127 168 R CA 1.437 57.633 56.100 0.160 0.000 0.968 168 R CB -0.607 29.778 30.300 0.142 0.000 0.861 168 R HN 0.439 nan 8.270 nan 0.000 0.440 169 V N 0.397 120.389 119.914 0.130 0.000 2.427 169 V HA -0.271 3.850 4.120 0.001 0.000 0.248 169 V C 2.482 178.631 176.094 0.092 0.000 1.051 169 V CA 1.480 63.833 62.300 0.088 0.000 1.048 169 V CB -0.448 31.424 31.823 0.082 0.000 0.666 169 V HN 0.441 nan 8.190 nan 0.000 0.456 170 C N -0.051 119.343 119.300 0.157 0.000 2.425 170 C HA -0.141 4.319 4.460 0.001 0.000 0.277 170 C C 2.657 177.822 174.990 0.291 0.000 1.280 170 C CA 0.851 60.031 59.018 0.270 0.000 1.744 170 C CB -1.006 26.952 27.740 0.364 0.000 1.989 170 C HN 0.620 nan 8.230 nan 0.000 0.491 171 E N 0.879 121.213 120.200 0.223 0.000 2.085 171 E HA -0.231 4.119 4.350 0.001 0.000 0.194 171 E C 2.141 178.867 176.600 0.210 0.000 0.994 171 E CA 1.236 57.777 56.400 0.235 0.000 0.801 171 E CB -0.148 29.700 29.700 0.246 0.000 0.743 171 E HN 0.636 nan 8.360 nan 0.000 0.453 172 K N 0.370 120.865 120.400 0.158 0.000 2.032 172 K HA -0.138 4.182 4.320 0.001 0.000 0.209 172 K C 2.195 178.861 176.600 0.109 0.000 1.048 172 K CA 1.539 57.907 56.287 0.134 0.000 0.927 172 K CB -0.135 32.377 32.500 0.019 0.000 0.712 172 K HN 0.093 nan 8.250 nan 0.000 0.441 173 M N 0.315 119.935 119.600 0.034 0.000 2.065 173 M HA -0.209 4.272 4.480 0.001 0.000 0.259 173 M C 2.444 178.775 176.300 0.051 0.000 1.069 173 M CA 1.937 57.185 55.300 -0.086 0.000 1.110 173 M CB -0.400 31.952 32.600 -0.413 0.000 1.328 173 M HN 0.244 nan 8.290 nan 0.000 0.405 174 A N -0.611 122.356 122.820 0.246 0.000 1.929 174 A HA 0.022 4.343 4.320 0.001 0.000 0.216 174 A C 1.886 179.571 177.584 0.168 0.000 1.176 174 A CA 1.299 53.526 52.037 0.317 0.000 0.628 174 A CB -0.247 18.980 19.000 0.378 0.000 0.816 174 A HN 0.510 nan 8.150 nan 0.000 0.444 175 L N -3.337 117.972 121.223 0.145 0.000 3.174 175 L HA 0.191 4.531 4.340 0.001 0.000 0.283 175 L C 1.757 178.669 176.870 0.070 0.000 1.187 175 L CA 0.001 54.873 54.840 0.052 0.000 1.018 175 L CB 0.146 42.210 42.059 0.009 0.000 1.433 175 L HN 0.442 nan 8.230 nan 0.000 0.593 176 Y N 1.395 121.718 120.300 0.039 0.000 2.165 176 Y HA -0.320 4.230 4.550 0.001 0.000 0.286 176 Y C 2.152 178.092 175.900 0.067 0.000 1.155 176 Y CA 2.250 60.390 58.100 0.066 0.000 1.164 176 Y CB 0.109 38.598 38.460 0.048 0.000 0.978 176 Y HN 0.204 nan 8.280 nan 0.000 0.513 177 D N -0.800 119.626 120.400 0.043 0.000 2.178 177 D HA -0.149 4.491 4.640 0.001 0.000 0.202 177 D C 2.210 178.449 176.300 -0.102 0.000 0.974 177 D CA 1.250 55.223 54.000 -0.045 0.000 0.841 177 D CB -0.126 40.701 40.800 0.044 0.000 0.953 177 D HN 0.277 nan 8.370 nan 0.000 0.478 178 V N 0.413 120.273 119.914 -0.090 0.000 2.270 178 V HA -0.203 3.917 4.120 0.001 0.000 0.245 178 V C 2.658 178.654 176.094 -0.163 0.000 1.043 178 V CA 1.745 63.974 62.300 -0.120 0.000 1.014 178 V CB -0.609 31.113 31.823 -0.169 0.000 0.645 178 V HN 0.306 nan 8.190 nan 0.000 0.447 179 V N -2.271 117.529 119.914 -0.191 0.000 3.078 179 V HA -0.074 4.047 4.120 0.001 0.000 0.265 179 V C 1.916 177.876 176.094 -0.223 0.000 1.122 179 V CA 2.030 64.215 62.300 -0.191 0.000 1.141 179 V CB -0.392 31.344 31.823 -0.145 0.000 0.735 179 V HN 0.463 nan 8.190 nan 0.000 0.498 180 S N -0.238 115.319 115.700 -0.237 0.000 2.524 180 S HA 0.199 4.670 4.470 0.001 0.000 0.216 180 S C 1.643 176.163 174.600 -0.134 0.000 0.987 180 S CA 0.688 58.769 58.200 -0.198 0.000 0.909 180 S CB 0.054 63.083 63.200 -0.285 0.000 0.781 180 S HN 0.737 nan 8.310 nan 0.000 0.521 181 K N -0.095 120.218 120.400 -0.146 0.000 2.462 181 K HA 0.301 4.621 4.320 0.001 0.000 0.201 181 K C 1.540 178.047 176.600 -0.155 0.000 1.268 181 K CA -0.041 56.176 56.287 -0.117 0.000 0.933 181 K CB -0.103 32.350 32.500 -0.079 0.000 1.162 181 K HN 0.056 nan 8.250 nan 0.000 0.527 182 L N 2.626 123.751 121.223 -0.164 0.000 2.027 182 L HA -0.016 4.325 4.340 0.001 0.000 0.206 182 L C -1.313 175.401 176.870 -0.261 0.000 1.074 182 L CA 1.803 56.553 54.840 -0.149 0.000 0.745 182 L CB -0.759 41.265 42.059 -0.059 0.000 0.898 182 L HN -0.046 nan 8.230 nan 0.000 0.433 183 P HA -0.186 nan 4.420 nan 0.000 0.215 183 P C 1.979 178.882 177.300 -0.661 0.000 1.153 183 P CA 1.267 63.951 63.100 -0.693 0.000 0.853 183 P CB -0.140 30.750 31.700 -1.351 0.000 0.788 184 L N -0.346 120.529 121.223 -0.580 0.000 2.079 184 L HA -0.122 4.218 4.340 0.001 0.000 0.210 184 L C 2.199 178.957 176.870 -0.187 0.000 1.081 184 L CA 2.057 56.740 54.840 -0.261 0.000 0.752 184 L CB -1.463 40.531 42.059 -0.109 0.000 0.896 184 L HN -0.115 nan 8.230 nan 0.000 0.433 185 A N -1.023 121.691 122.820 -0.177 0.000 1.930 185 A HA -0.122 4.198 4.320 0.001 0.000 0.217 185 A C 2.172 179.685 177.584 -0.117 0.000 1.175 185 A CA 2.008 53.976 52.037 -0.114 0.000 0.627 185 A CB -0.990 17.957 19.000 -0.088 0.000 0.815 185 A HN 0.517 nan 8.150 nan 0.000 0.443 186 V N -5.067 114.743 119.914 -0.173 0.000 3.471 186 V HA 0.284 4.405 4.120 0.001 0.000 0.258 186 V C 1.743 177.685 176.094 -0.253 0.000 1.192 186 V CA 1.501 63.706 62.300 -0.159 0.000 1.116 186 V CB 0.082 31.821 31.823 -0.139 0.000 0.792 186 V HN 0.414 nan 8.190 nan 0.000 0.459 187 M N -0.104 119.285 119.600 -0.352 0.000 2.338 187 M HA 0.500 4.980 4.480 0.001 0.000 0.276 187 M C 1.452 177.634 176.300 -0.198 0.000 1.057 187 M CA 0.892 55.892 55.300 -0.499 0.000 1.079 187 M CB 0.808 33.021 32.600 -0.645 0.000 1.547 187 M HN 0.618 nan 8.290 nan 0.000 0.549 188 G N 1.111 109.839 108.800 -0.120 0.000 2.634 188 G HA2 -0.440 3.520 3.960 0.001 0.000 0.309 188 G HA3 -0.440 3.520 3.960 0.001 0.000 0.309 188 G C 0.650 175.552 174.900 0.004 0.000 1.265 188 G CA 1.054 46.135 45.100 -0.031 0.000 0.998 188 G HN 0.639 nan 8.290 nan 0.000 0.551 189 S N -0.717 115.040 115.700 0.094 0.000 2.465 189 S HA 0.007 4.477 4.470 0.001 0.000 0.241 189 S C 2.214 176.886 174.600 0.120 0.000 1.000 189 S CA 2.103 60.428 58.200 0.208 0.000 0.964 189 S CB -0.206 63.228 63.200 0.390 0.000 0.763 189 S HN 1.015 nan 8.310 nan 0.000 0.512 190 S N 0.160 115.900 115.700 0.067 0.000 2.522 190 S HA 0.117 4.587 4.470 0.001 0.000 0.227 190 S C 0.230 174.774 174.600 -0.094 0.000 0.986 190 S CA -0.070 58.132 58.200 0.002 0.000 0.929 190 S CB -0.411 62.859 63.200 0.118 0.000 0.769 190 S HN 0.703 nan 8.310 nan 0.000 0.529 191 Y N 2.984 123.121 120.300 -0.272 0.000 2.584 191 Y HA 0.444 4.994 4.550 0.001 0.000 0.351 191 Y C 1.263 176.919 175.900 -0.407 0.000 1.030 191 Y CA -1.517 56.391 58.100 -0.320 0.000 1.332 191 Y CB -0.045 38.245 38.460 -0.282 0.000 1.148 191 Y HN 0.059 nan 8.280 nan 0.000 0.528 192 G N 4.464 112.826 108.800 -0.729 0.000 2.443 192 G HA2 -0.261 3.700 3.960 0.001 0.000 0.219 192 G HA3 -0.261 3.700 3.960 0.001 0.000 0.219 192 G C 1.024 175.405 174.900 -0.865 0.000 1.131 192 G CA 0.286 44.955 45.100 -0.719 0.000 0.775 192 G HN 0.629 nan 8.290 nan 0.000 0.547 193 F N 1.123 120.357 119.950 -1.194 0.000 2.748 193 F HA 0.070 4.598 4.527 0.001 0.000 0.299 193 F C 2.763 178.313 175.800 -0.417 0.000 1.154 193 F CA 0.638 58.072 58.000 -0.942 0.000 1.446 193 F CB -0.060 38.357 39.000 -0.971 0.000 1.112 193 F HN 0.377 nan 8.300 nan 0.000 0.584 194 Q N -0.754 118.776 119.800 -0.450 0.000 2.451 194 Q HA -0.081 4.259 4.340 0.001 0.000 0.206 194 Q C -0.620 175.274 176.000 -0.177 0.000 0.947 194 Q CA 0.747 56.402 55.803 -0.247 0.000 0.937 194 Q CB -0.270 28.235 28.738 -0.387 0.000 1.025 194 Q HN 0.277 nan 8.270 nan 0.000 0.511 195 Y N 1.964 122.300 120.300 0.061 0.000 2.330 195 Y HA 0.285 4.836 4.550 0.001 0.000 0.336 195 Y C 0.627 176.517 175.900 -0.016 0.000 1.036 195 Y CA -1.323 56.781 58.100 0.006 0.000 1.125 195 Y CB 1.482 39.881 38.460 -0.102 0.000 1.194 195 Y HN 0.122 nan 8.280 nan 0.000 0.469 196 S N 3.343 118.974 115.700 -0.115 0.000 2.598 196 S HA 0.140 4.610 4.470 0.001 0.000 0.256 196 S C -1.893 172.441 174.600 -0.444 0.000 1.350 196 S CA -0.857 56.844 58.200 -0.830 0.000 0.984 196 S CB 0.863 63.607 63.200 -0.760 0.000 0.930 196 S HN 0.438 nan 8.310 nan 0.000 0.577 197 P HA 0.041 nan 4.420 nan 0.000 0.215 197 P C 1.719 178.949 177.300 -0.116 0.000 1.153 197 P CA 1.683 64.654 63.100 -0.215 0.000 0.853 197 P CB -0.591 31.018 31.700 -0.152 0.000 0.788 198 G N -0.365 108.347 108.800 -0.147 0.000 2.432 198 G HA2 -0.253 3.707 3.960 0.001 0.000 0.219 198 G HA3 -0.253 3.707 3.960 0.001 0.000 0.219 198 G C 1.525 176.375 174.900 -0.084 0.000 1.135 198 G CA 0.504 45.564 45.100 -0.067 0.000 0.767 198 G HN 0.317 nan 8.290 nan 0.000 0.550 199 Q N -0.644 119.090 119.800 -0.109 0.000 2.187 199 Q HA 0.073 4.414 4.340 0.001 0.000 0.199 199 Q C 2.560 178.400 176.000 -0.267 0.000 0.957 199 Q CA 0.567 56.311 55.803 -0.097 0.000 0.857 199 Q CB -0.049 28.734 28.738 0.074 0.000 0.929 199 Q HN 0.459 nan 8.270 nan 0.000 0.453 200 R N 0.426 120.806 120.500 -0.200 0.000 2.075 200 R HA -0.120 4.221 4.340 0.001 0.000 0.232 200 R C 2.057 178.272 176.300 -0.142 0.000 1.126 200 R CA 1.086 57.042 56.100 -0.240 0.000 0.963 200 R CB -0.128 30.117 30.300 -0.092 0.000 0.858 200 R HN 0.072 nan 8.270 nan 0.000 0.435 201 V N 1.472 121.332 119.914 -0.091 0.000 2.287 201 V HA -0.274 3.847 4.120 0.001 0.000 0.248 201 V C 2.353 178.383 176.094 -0.108 0.000 1.053 201 V CA 2.338 64.597 62.300 -0.069 0.000 1.027 201 V CB -0.615 31.199 31.823 -0.016 0.000 0.646 201 V HN 0.505 nan 8.190 nan 0.000 0.447 202 E N -0.559 119.573 120.200 -0.113 0.000 2.085 202 E HA -0.287 4.064 4.350 0.001 0.000 0.194 202 E C 2.084 178.598 176.600 -0.143 0.000 0.994 202 E CA 1.815 58.138 56.400 -0.129 0.000 0.801 202 E CB -0.228 29.414 29.700 -0.097 0.000 0.743 202 E HN 0.604 nan 8.360 nan 0.000 0.453 203 F N 0.929 120.677 119.950 -0.336 0.000 2.102 203 F HA -0.158 4.370 4.527 0.001 0.000 0.298 203 F C 1.875 177.550 175.800 -0.208 0.000 1.105 203 F CA 1.372 59.171 58.000 -0.336 0.000 1.239 203 F CB -0.099 38.539 39.000 -0.605 0.000 0.991 203 F HN -0.010 nan 8.300 nan 0.000 0.474 204 L N -0.626 120.590 121.223 -0.012 0.000 2.056 204 L HA -0.179 4.161 4.340 0.001 0.000 0.207 204 L C 2.348 179.142 176.870 -0.127 0.000 1.078 204 L CA 0.812 55.623 54.840 -0.048 0.000 0.749 204 L CB -0.775 41.283 42.059 -0.003 0.000 0.901 204 L HN 0.033 nan 8.230 nan 0.000 0.433 205 V N -0.525 119.276 119.914 -0.188 0.000 2.358 205 V HA -0.277 3.844 4.120 0.001 0.000 0.246 205 V C 2.523 178.511 176.094 -0.177 0.000 1.047 205 V CA 1.635 63.789 62.300 -0.244 0.000 1.035 205 V CB -0.554 30.979 31.823 -0.484 0.000 0.658 205 V HN 0.501 nan 8.190 nan 0.000 0.452 206 Q N 0.258 119.925 119.800 -0.221 0.000 2.096 206 Q HA -0.221 4.119 4.340 0.001 0.000 0.204 206 Q C 2.282 178.153 176.000 -0.214 0.000 0.982 206 Q CA 2.311 57.989 55.803 -0.209 0.000 0.850 206 Q CB -0.345 28.253 28.738 -0.235 0.000 0.901 206 Q HN 0.609 nan 8.270 nan 0.000 0.422 207 A N 0.654 123.291 122.820 -0.306 0.000 1.877 207 A HA -0.190 4.131 4.320 0.001 0.000 0.216 207 A C 1.949 179.476 177.584 -0.095 0.000 1.186 207 A CA 1.237 53.108 52.037 -0.277 0.000 0.620 207 A CB -1.462 17.298 19.000 -0.399 0.000 0.822 207 A HN 0.722 nan 8.150 nan 0.000 0.443 208 W N 0.874 122.047 121.300 -0.212 0.000 2.338 208 W HA -0.152 4.508 4.660 0.001 0.000 0.304 208 W C 1.653 178.101 176.519 -0.118 0.000 1.212 208 W CA 1.988 59.247 57.345 -0.144 0.000 1.264 208 W CB -0.110 29.271 29.460 -0.131 0.000 1.142 208 W HN 0.318 nan 8.180 nan 0.000 0.512 209 K N 0.137 120.551 120.400 0.023 0.000 2.432 209 K HA -0.088 4.232 4.320 0.001 0.000 0.196 209 K C 2.017 178.557 176.600 -0.099 0.000 1.038 209 K CA 1.278 57.540 56.287 -0.041 0.000 0.986 209 K CB -0.140 32.344 32.500 -0.026 0.000 0.782 209 K HN 0.031 nan 8.250 nan 0.000 0.485 210 S N 0.407 116.033 115.700 -0.124 0.000 2.522 210 S HA 0.032 4.503 4.470 0.001 0.000 0.227 210 S C 0.542 175.061 174.600 -0.135 0.000 0.986 210 S CA 0.175 58.302 58.200 -0.120 0.000 0.929 210 S CB 0.082 63.206 63.200 -0.126 0.000 0.769 210 S HN -0.049 nan 8.310 nan 0.000 0.529 211 K N 1.786 122.072 120.400 -0.191 0.000 2.110 211 K HA 0.345 4.666 4.320 0.001 0.000 0.263 211 K C 0.747 177.238 176.600 -0.182 0.000 0.975 211 K CA -0.539 55.626 56.287 -0.204 0.000 0.895 211 K CB 1.447 33.765 32.500 -0.303 0.000 1.060 211 K HN 0.119 nan 8.250 nan 0.000 0.448 212 K N 0.983 121.303 120.400 -0.133 0.000 2.002 212 K HA -0.059 4.261 4.320 0.001 0.000 0.209 212 K C -0.215 176.312 176.600 -0.122 0.000 1.048 212 K CA 1.301 57.526 56.287 -0.103 0.000 0.930 212 K CB 0.231 32.688 32.500 -0.071 0.000 0.714 212 K HN 0.515 nan 8.250 nan 0.000 0.438 213 T N 3.758 118.229 114.554 -0.139 0.000 3.009 213 T HA 0.287 4.637 4.350 0.001 0.000 0.346 213 T C -2.792 171.776 174.700 -0.220 0.000 1.092 213 T CA -1.409 60.607 62.100 -0.139 0.000 1.080 213 T CB 1.872 70.705 68.868 -0.058 0.000 1.037 213 T HN 0.143 nan 8.240 nan 0.000 0.487 214 P HA 0.331 nan 4.420 nan 0.000 0.275 214 P C -0.660 176.290 177.300 -0.584 0.000 1.228 214 P CA -0.661 61.972 63.100 -0.778 0.000 0.786 214 P CB 0.873 31.494 31.700 -1.797 0.000 0.927 215 M N 2.038 121.396 119.600 -0.403 0.000 2.457 215 M HA 0.664 5.144 4.480 0.001 0.000 0.300 215 M C -1.125 175.119 176.300 -0.092 0.000 1.141 215 M CA -0.333 54.784 55.300 -0.306 0.000 0.901 215 M CB 2.383 34.825 32.600 -0.265 0.000 1.687 215 M HN 0.566 nan 8.290 nan 0.000 0.449 216 G N 3.662 112.506 108.800 0.074 0.000 2.619 216 G HA2 0.836 4.796 3.960 0.001 0.000 0.296 216 G HA3 0.836 4.796 3.960 0.001 0.000 0.296 216 G C -1.980 173.006 174.900 0.144 0.000 1.334 216 G CA -0.646 44.531 45.100 0.129 0.000 0.934 216 G HN 0.811 nan 8.290 nan 0.000 0.476 217 F N -0.427 119.499 119.950 -0.040 0.000 2.654 217 F HA 0.787 5.314 4.527 0.001 0.000 0.308 217 F C -0.195 175.599 175.800 -0.010 0.000 1.108 217 F CA -1.384 56.592 58.000 -0.041 0.000 0.957 217 F CB 1.500 40.459 39.000 -0.069 0.000 1.309 217 F HN 0.616 nan 8.300 nan 0.000 0.446 218 S N 1.171 116.963 115.700 0.154 0.000 2.578 218 S HA 0.604 5.075 4.470 0.001 0.000 0.283 218 S C -1.538 173.262 174.600 0.334 0.000 1.195 218 S CA -0.587 57.683 58.200 0.118 0.000 1.050 218 S CB 1.588 64.829 63.200 0.069 0.000 1.012 218 S HN 0.829 nan 8.310 nan 0.000 0.511 219 Y N 0.996 121.413 120.300 0.196 0.000 2.328 219 Y HA 0.444 4.995 4.550 0.001 0.000 0.333 219 Y C -1.439 174.588 175.900 0.212 0.000 0.958 219 Y CA -0.830 57.445 58.100 0.293 0.000 1.167 219 Y CB 1.207 39.943 38.460 0.460 0.000 1.151 219 Y HN 0.693 nan 8.280 nan 0.000 0.470 220 D N 4.135 124.398 120.400 -0.227 0.000 2.454 220 D HA 0.216 4.857 4.640 0.001 0.000 0.225 220 D C -0.528 175.651 176.300 -0.201 0.000 1.081 220 D CA -0.108 53.826 54.000 -0.111 0.000 0.864 220 D CB 1.204 41.970 40.800 -0.056 0.000 1.040 220 D HN 0.439 nan 8.370 nan 0.000 0.517 221 T N 1.822 116.410 114.554 0.057 0.000 2.901 221 T HA 0.072 4.423 4.350 0.001 0.000 0.301 221 T C 0.695 175.478 174.700 0.138 0.000 1.012 221 T CA -0.285 61.922 62.100 0.177 0.000 1.135 221 T CB 0.616 69.808 68.868 0.540 0.000 0.936 221 T HN 0.194 nan 8.240 nan 0.000 0.539 222 R N 2.098 122.640 120.500 0.070 0.000 2.351 222 R HA 0.183 4.524 4.340 0.001 0.000 0.318 222 R C -0.175 176.225 176.300 0.166 0.000 1.055 222 R CA -0.320 55.819 56.100 0.065 0.000 0.968 222 R CB -0.618 29.663 30.300 -0.033 0.000 0.974 222 R HN 0.925 nan 8.270 nan 0.000 0.439 223 C N 5.515 124.947 119.300 0.220 0.000 3.514 223 C HA -0.162 4.298 4.460 0.001 0.000 0.286 223 C C 1.311 176.507 174.990 0.342 0.000 1.302 223 C CA 0.167 59.368 59.018 0.304 0.000 2.239 223 C CB -3.023 24.964 27.740 0.411 0.000 1.429 223 C HN 1.043 nan 8.230 nan 0.000 0.565 224 F N 1.816 121.883 119.950 0.195 0.000 2.087 224 F HA -0.215 4.313 4.527 0.001 0.000 0.299 224 F C 1.981 177.890 175.800 0.182 0.000 1.100 224 F CA 2.425 60.540 58.000 0.191 0.000 1.226 224 F CB 0.028 39.128 39.000 0.167 0.000 0.983 224 F HN 0.475 nan 8.300 nan 0.000 0.479 225 D N -0.382 120.251 120.400 0.389 0.000 2.149 225 D HA -0.170 4.470 4.640 0.001 0.000 0.198 225 D C 2.435 178.792 176.300 0.095 0.000 0.990 225 D CA 1.669 55.826 54.000 0.260 0.000 0.839 225 D CB -0.543 40.414 40.800 0.261 0.000 0.948 225 D HN 0.255 nan 8.370 nan 0.000 0.460 226 S N -0.434 115.335 115.700 0.114 0.000 2.447 226 S HA -0.107 4.363 4.470 0.001 0.000 0.233 226 S C 2.040 176.586 174.600 -0.089 0.000 1.006 226 S CA 1.393 59.554 58.200 -0.065 0.000 0.957 226 S CB -0.233 62.899 63.200 -0.114 0.000 0.773 226 S HN 0.534 nan 8.310 nan 0.000 0.507 227 T N -0.467 114.116 114.554 0.048 0.000 3.088 227 T HA 0.126 4.477 4.350 0.001 0.000 0.259 227 T C 0.590 175.208 174.700 -0.137 0.000 1.122 227 T CA 0.040 62.154 62.100 0.023 0.000 1.095 227 T CB -0.380 68.450 68.868 -0.065 0.000 0.930 227 T HN 0.036 nan 8.240 nan 0.000 0.508 228 V N 3.969 123.771 119.914 -0.188 0.000 2.470 228 V HA 0.340 4.460 4.120 0.001 0.000 0.276 228 V C 1.084 177.122 176.094 -0.092 0.000 1.040 228 V CA -0.350 61.865 62.300 -0.141 0.000 1.008 228 V CB 0.307 32.093 31.823 -0.063 0.000 0.990 228 V HN 0.709 nan 8.190 nan 0.000 0.477 229 T N 0.978 115.489 114.554 -0.071 0.000 2.912 229 T HA 0.373 4.723 4.350 0.001 0.000 0.280 229 T C 0.945 175.619 174.700 -0.043 0.000 0.989 229 T CA -0.656 61.406 62.100 -0.063 0.000 0.995 229 T CB 1.407 70.243 68.868 -0.054 0.000 1.077 229 T HN 0.614 nan 8.240 nan 0.000 0.531 230 E N 0.493 120.669 120.200 -0.040 0.000 2.118 230 E HA -0.156 4.194 4.350 0.001 0.000 0.195 230 E C 2.391 178.986 176.600 -0.008 0.000 0.992 230 E CA 1.585 57.974 56.400 -0.018 0.000 0.804 230 E CB -0.175 29.515 29.700 -0.016 0.000 0.741 230 E HN 0.800 nan 8.360 nan 0.000 0.458 231 S N 0.982 116.672 115.700 -0.018 0.000 2.402 231 S HA -0.169 4.301 4.470 0.001 0.000 0.229 231 S C 1.498 176.094 174.600 -0.006 0.000 1.021 231 S CA 1.108 59.301 58.200 -0.012 0.000 0.974 231 S CB -0.140 63.045 63.200 -0.024 0.000 0.800 231 S HN 0.087 nan 8.310 nan 0.000 0.484 232 D N 2.009 122.401 120.400 -0.013 0.000 2.104 232 D HA -0.024 4.616 4.640 0.001 0.000 0.194 232 D C 1.865 178.168 176.300 0.005 0.000 0.994 232 D CA 1.265 55.268 54.000 0.005 0.000 0.830 232 D CB -0.391 40.408 40.800 -0.001 0.000 0.959 232 D HN 0.469 nan 8.370 nan 0.000 0.452 233 I N 0.460 121.036 120.570 0.010 0.000 2.353 233 I HA -0.160 4.011 4.170 0.001 0.000 0.248 233 I C 2.438 178.564 176.117 0.015 0.000 1.119 233 I CA 0.759 62.075 61.300 0.026 0.000 1.417 233 I CB -0.040 37.997 38.000 0.062 0.000 1.078 233 I HN -0.117 nan 8.210 nan 0.000 0.421 234 R N -0.110 120.399 120.500 0.015 0.000 2.148 234 R HA -0.088 4.253 4.340 0.001 0.000 0.227 234 R C 2.200 178.486 176.300 -0.023 0.000 1.103 234 R CA 1.542 57.648 56.100 0.009 0.000 0.983 234 R CB -0.481 29.828 30.300 0.015 0.000 0.874 234 R HN 0.310 nan 8.270 nan 0.000 0.451 235 T N 0.860 115.398 114.554 -0.025 0.000 2.857 235 T HA -0.085 4.266 4.350 0.001 0.000 0.266 235 T C 1.420 176.037 174.700 -0.138 0.000 1.048 235 T CA 1.090 63.166 62.100 -0.039 0.000 1.139 235 T CB 0.016 68.896 68.868 0.019 0.000 0.874 235 T HN 0.354 nan 8.240 nan 0.000 0.455 236 E N 0.849 120.930 120.200 -0.197 0.000 2.077 236 E HA -0.147 4.204 4.350 0.001 0.000 0.193 236 E C 2.339 178.431 176.600 -0.847 0.000 0.989 236 E CA 0.778 56.893 56.400 -0.476 0.000 0.800 236 E CB -0.052 29.424 29.700 -0.374 0.000 0.746 236 E HN 0.380 nan 8.360 nan 0.000 0.452 237 E N 0.868 120.819 120.200 -0.414 0.000 2.085 237 E HA -0.213 4.137 4.350 0.001 0.000 0.194 237 E C 2.044 178.574 176.600 -0.116 0.000 0.994 237 E CA 1.188 57.485 56.400 -0.171 0.000 0.801 237 E CB -0.054 29.676 29.700 0.050 0.000 0.743 237 E HN 0.215 nan 8.360 nan 0.000 0.453 238 A N 1.090 123.845 122.820 -0.107 0.000 1.933 238 A HA -0.148 4.173 4.320 0.001 0.000 0.218 238 A C 2.316 179.863 177.584 -0.061 0.000 1.175 238 A CA 1.311 53.319 52.037 -0.049 0.000 0.628 238 A CB -0.596 18.387 19.000 -0.030 0.000 0.814 238 A HN 0.300 nan 8.150 nan 0.000 0.444 239 I N -1.570 118.910 120.570 -0.149 0.000 2.179 239 I HA -0.265 3.905 4.170 0.001 0.000 0.242 239 I C 2.332 178.447 176.117 -0.002 0.000 1.088 239 I CA 1.245 62.479 61.300 -0.110 0.000 1.357 239 I CB -0.558 37.343 38.000 -0.165 0.000 1.051 239 I HN 0.360 nan 8.210 nan 0.000 0.409 240 Y N 1.172 121.482 120.300 0.016 0.000 2.151 240 Y HA -0.258 4.292 4.550 0.001 0.000 0.284 240 Y C 2.678 178.592 175.900 0.023 0.000 1.166 240 Y CA 0.835 58.947 58.100 0.020 0.000 1.163 240 Y CB -1.137 37.349 38.460 0.043 0.000 0.974 240 Y HN 0.271 nan 8.280 nan 0.000 0.511 241 Q N -1.360 118.540 119.800 0.167 0.000 2.436 241 Q HA -0.100 4.241 4.340 0.001 0.000 0.209 241 Q C 2.295 178.336 176.000 0.069 0.000 0.965 241 Q CA 0.924 56.791 55.803 0.106 0.000 0.910 241 Q CB -0.711 28.073 28.738 0.076 0.000 0.980 241 Q HN 0.520 nan 8.270 nan 0.000 0.491 242 C N 0.241 119.575 119.300 0.058 0.000 2.448 242 C HA -0.019 4.441 4.460 0.001 0.000 0.280 242 C C 1.630 176.644 174.990 0.040 0.000 1.398 242 C CA -0.679 58.361 59.018 0.038 0.000 1.774 242 C CB -0.740 27.014 27.740 0.023 0.000 1.888 242 C HN 0.410 nan 8.230 nan 0.000 0.519 243 C N 1.422 120.756 119.300 0.057 0.000 2.649 243 C HA 0.174 4.635 4.460 0.001 0.000 0.377 243 C C 0.553 175.567 174.990 0.040 0.000 1.321 243 C CA -0.177 58.868 59.018 0.045 0.000 2.368 243 C CB -0.159 27.613 27.740 0.054 0.000 2.597 243 C HN 0.488 nan 8.230 nan 0.000 0.678 244 D N 1.468 121.886 120.400 0.029 0.000 2.374 244 D HA 0.426 5.066 4.640 0.001 0.000 0.240 244 D C -0.615 175.705 176.300 0.033 0.000 1.229 244 D CA 0.311 54.328 54.000 0.028 0.000 0.895 244 D CB -0.153 40.659 40.800 0.020 0.000 1.046 244 D HN 0.359 nan 8.370 nan 0.000 0.498 245 L N 2.340 123.587 121.223 0.040 0.000 2.333 245 L HA 0.373 4.713 4.340 0.001 0.000 0.269 245 L C 0.629 177.528 176.870 0.049 0.000 1.010 245 L CA -1.211 53.659 54.840 0.049 0.000 0.818 245 L CB 1.826 43.922 42.059 0.062 0.000 1.306 245 L HN 0.299 nan 8.230 nan 0.000 0.430 246 D N 2.119 122.553 120.400 0.056 0.000 2.423 246 D HA 0.031 4.672 4.640 0.001 0.000 0.238 246 D C -1.813 174.528 176.300 0.067 0.000 1.142 246 D CA -1.122 52.914 54.000 0.060 0.000 0.884 246 D CB 1.998 42.840 40.800 0.071 0.000 1.199 246 D HN 0.232 nan 8.370 nan 0.000 0.438 247 P HA -0.161 nan 4.420 nan 0.000 0.216 247 P C 1.209 178.544 177.300 0.058 0.000 1.153 247 P CA 1.466 64.595 63.100 0.049 0.000 0.858 247 P CB 0.191 31.914 31.700 0.039 0.000 0.789 248 Q N -0.954 118.903 119.800 0.094 0.000 2.124 248 Q HA -0.129 4.211 4.340 0.001 0.000 0.202 248 Q C 2.223 178.307 176.000 0.140 0.000 0.977 248 Q CA 1.589 57.470 55.803 0.129 0.000 0.850 248 Q CB -0.650 28.247 28.738 0.266 0.000 0.901 248 Q HN 0.178 nan 8.270 nan 0.000 0.429 249 A N 1.291 124.220 122.820 0.181 0.000 1.933 249 A HA -0.202 4.118 4.320 0.001 0.000 0.218 249 A C 1.989 179.630 177.584 0.093 0.000 1.175 249 A CA 1.229 53.376 52.037 0.183 0.000 0.628 249 A CB -0.373 18.722 19.000 0.158 0.000 0.814 249 A HN 0.223 nan 8.150 nan 0.000 0.444 250 R N -0.661 119.879 120.500 0.067 0.000 2.081 250 R HA -0.085 4.255 4.340 0.001 0.000 0.235 250 R C 2.048 178.356 176.300 0.013 0.000 1.131 250 R CA 1.488 57.617 56.100 0.049 0.000 0.960 250 R CB -0.607 29.719 30.300 0.043 0.000 0.856 250 R HN 0.415 nan 8.270 nan 0.000 0.436 251 V N 1.107 121.008 119.914 -0.022 0.000 2.307 251 V HA -0.233 3.887 4.120 0.001 0.000 0.245 251 V C 2.516 178.528 176.094 -0.137 0.000 1.045 251 V CA 1.970 64.224 62.300 -0.077 0.000 1.024 251 V CB -0.803 30.957 31.823 -0.105 0.000 0.651 251 V HN 0.391 nan 8.190 nan 0.000 0.449 252 A N -0.001 122.694 122.820 -0.208 0.000 1.908 252 A HA -0.206 4.114 4.320 0.001 0.000 0.218 252 A C 2.193 179.702 177.584 -0.125 0.000 1.181 252 A CA 2.124 53.973 52.037 -0.313 0.000 0.627 252 A CB -0.613 18.086 19.000 -0.502 0.000 0.818 252 A HN 0.513 nan 8.150 nan 0.000 0.445 253 I N -0.750 119.815 120.570 -0.010 0.000 2.226 253 I HA -0.251 3.920 4.170 0.001 0.000 0.245 253 I C 2.520 178.679 176.117 0.071 0.000 1.100 253 I CA 1.813 63.160 61.300 0.078 0.000 1.374 253 I CB -0.185 37.899 38.000 0.139 0.000 1.057 253 I HN 0.266 nan 8.210 nan 0.000 0.413 254 K N 1.183 121.602 120.400 0.032 0.000 2.032 254 K HA -0.135 4.186 4.320 0.001 0.000 0.209 254 K C 2.127 178.708 176.600 -0.032 0.000 1.048 254 K CA 1.977 58.274 56.287 0.017 0.000 0.927 254 K CB -0.392 32.109 32.500 0.001 0.000 0.712 254 K HN 0.127 nan 8.250 nan 0.000 0.441 255 S N 0.537 116.186 115.700 -0.084 0.000 2.368 255 S HA -0.041 4.430 4.470 0.001 0.000 0.224 255 S C 1.839 176.345 174.600 -0.157 0.000 1.029 255 S CA 1.254 59.382 58.200 -0.119 0.000 0.988 255 S CB -0.297 62.805 63.200 -0.163 0.000 0.838 255 S HN 0.246 nan 8.310 nan 0.000 0.462 256 L N 1.012 122.115 121.223 -0.200 0.000 2.083 256 L HA -0.133 4.207 4.340 0.001 0.000 0.209 256 L C 2.674 179.237 176.870 -0.513 0.000 1.083 256 L CA 1.171 55.769 54.840 -0.402 0.000 0.752 256 L CB -1.020 40.780 42.059 -0.432 0.000 0.899 256 L HN 0.316 nan 8.230 nan 0.000 0.433 257 T N -1.099 113.353 114.554 -0.170 0.000 2.674 257 T HA -0.148 4.202 4.350 0.001 0.000 0.265 257 T C 1.787 176.487 174.700 0.001 0.000 1.039 257 T CA 1.126 63.255 62.100 0.049 0.000 1.150 257 T CB -0.083 68.895 68.868 0.183 0.000 0.864 257 T HN 0.244 nan 8.240 nan 0.000 0.427 258 E N 0.967 121.152 120.200 -0.026 0.000 2.152 258 E HA 0.016 4.366 4.350 0.001 0.000 0.192 258 E C 2.266 178.845 176.600 -0.034 0.000 0.983 258 E CA 0.821 57.211 56.400 -0.016 0.000 0.818 258 E CB -0.064 29.626 29.700 -0.017 0.000 0.758 258 E HN 0.465 nan 8.360 nan 0.000 0.467 259 R N -0.718 119.734 120.500 -0.081 0.000 2.265 259 R HA 0.146 4.486 4.340 0.001 0.000 0.194 259 R C 1.703 177.945 176.300 -0.096 0.000 0.931 259 R CA 0.195 56.248 56.100 -0.077 0.000 1.032 259 R CB 0.396 30.642 30.300 -0.090 0.000 0.980 259 R HN 0.024 nan 8.270 nan 0.000 0.497 260 L N -2.186 118.944 121.223 -0.156 0.000 2.678 260 L HA 0.204 4.545 4.340 0.001 0.000 0.187 260 L C 1.213 178.080 176.870 -0.004 0.000 1.073 260 L CA 0.742 55.496 54.840 -0.143 0.000 0.883 260 L CB -0.249 41.646 42.059 -0.274 0.000 1.501 260 L HN -0.146 nan 8.230 nan 0.000 0.488 261 Y N -0.383 119.939 120.300 0.037 0.000 2.200 261 Y HA -0.034 4.516 4.550 0.001 0.000 0.290 261 Y C 2.722 178.635 175.900 0.023 0.000 1.137 261 Y CA 1.360 59.491 58.100 0.051 0.000 1.163 261 Y CB -1.133 37.383 38.460 0.093 0.000 0.988 261 Y HN 0.083 nan 8.280 nan 0.000 0.518 262 V N -0.794 119.213 119.914 0.155 0.000 2.913 262 V HA 0.183 4.303 4.120 0.001 0.000 0.260 262 V C 0.966 177.077 176.094 0.029 0.000 1.098 262 V CA 1.588 63.937 62.300 0.081 0.000 1.121 262 V CB -0.584 31.275 31.823 0.060 0.000 0.714 262 V HN 0.579 nan 8.190 nan 0.000 0.487 263 G N -2.541 106.259 108.800 0.000 0.000 2.359 263 G HA2 0.538 4.498 3.960 0.001 0.000 0.293 263 G HA3 0.538 4.498 3.960 0.001 0.000 0.293 263 G C -0.346 174.428 174.900 -0.211 0.000 1.300 263 G CA -0.184 44.861 45.100 -0.091 0.000 0.888 263 G HN 1.289 nan 8.290 nan 0.000 0.541 264 G N -1.145 107.287 108.800 -0.612 0.000 2.356 264 G HA2 0.642 4.603 3.960 0.001 0.000 0.300 264 G HA3 0.642 4.603 3.960 0.001 0.000 0.300 264 G C -3.471 170.752 174.900 -1.128 0.000 1.331 264 G CA 0.199 44.776 45.100 -0.872 0.000 0.905 264 G HN 0.918 nan 8.290 nan 0.000 0.587 265 P HA 0.479 nan 4.420 nan 0.000 0.271 265 P C -0.473 176.717 177.300 -0.183 0.000 1.218 265 P CA -0.104 62.810 63.100 -0.309 0.000 0.780 265 P CB 0.936 32.608 31.700 -0.047 0.000 0.901 266 L N 2.419 123.589 121.223 -0.089 0.000 2.313 266 L HA 0.457 4.798 4.340 0.001 0.000 0.283 266 L C 0.396 177.269 176.870 0.005 0.000 1.013 266 L CA -0.194 54.629 54.840 -0.030 0.000 0.816 266 L CB 1.644 43.728 42.059 0.040 0.000 1.236 266 L HN 0.263 nan 8.230 nan 0.000 0.419 267 T N 1.408 115.945 114.554 -0.029 0.000 2.829 267 T HA 0.341 4.692 4.350 0.001 0.000 0.280 267 T C -0.180 174.501 174.700 -0.032 0.000 0.999 267 T CA -0.842 61.245 62.100 -0.022 0.000 0.983 267 T CB 1.517 70.359 68.868 -0.044 0.000 0.968 267 T HN 0.644 nan 8.240 nan 0.000 0.446 268 N N 0.690 119.387 118.700 -0.004 0.000 2.366 268 N HA 0.134 4.874 4.740 0.001 0.000 0.277 268 N C 1.412 176.912 175.510 -0.017 0.000 1.275 268 N CA -0.313 52.734 53.050 -0.005 0.000 0.964 268 N CB 0.078 38.572 38.487 0.012 0.000 1.167 268 N HN 0.451 nan 8.380 nan 0.000 0.568 269 S N -1.461 114.238 115.700 -0.002 0.000 2.481 269 S HA -0.016 4.454 4.470 0.001 0.000 0.231 269 S C 1.256 175.852 174.600 -0.006 0.000 0.996 269 S CA 0.192 58.392 58.200 0.001 0.000 0.942 269 S CB -0.225 62.990 63.200 0.024 0.000 0.768 269 S HN 0.482 nan 8.310 nan 0.000 0.520 270 R N 0.943 121.441 120.500 -0.004 0.000 2.297 270 R HA 0.247 4.587 4.340 0.001 0.000 0.197 270 R C 1.702 177.995 176.300 -0.012 0.000 0.943 270 R CA 0.653 56.750 56.100 -0.005 0.000 1.038 270 R CB -0.888 29.413 30.300 0.001 0.000 0.957 270 R HN 0.665 nan 8.270 nan 0.000 0.484 271 G N 1.240 110.030 108.800 -0.016 0.000 2.157 271 G HA2 -0.260 3.701 3.960 0.001 0.000 0.239 271 G HA3 -0.260 3.701 3.960 0.001 0.000 0.239 271 G C -0.233 174.663 174.900 -0.005 0.000 0.982 271 G CA -0.115 44.973 45.100 -0.020 0.000 0.650 271 G HN 0.389 nan 8.290 nan 0.000 0.527 272 E N 0.460 120.663 120.200 0.004 0.000 2.331 272 E HA 0.338 4.688 4.350 0.001 0.000 0.272 272 E C 0.220 176.837 176.600 0.029 0.000 1.036 272 E CA -0.730 55.681 56.400 0.018 0.000 0.864 272 E CB 0.661 30.375 29.700 0.023 0.000 1.035 272 E HN 0.193 nan 8.360 nan 0.000 0.408 273 N N 1.873 120.597 118.700 0.040 0.000 2.438 273 N HA -0.038 4.702 4.740 0.001 0.000 0.267 273 N C -0.299 175.264 175.510 0.088 0.000 1.222 273 N CA 0.029 53.114 53.050 0.058 0.000 0.930 273 N CB 0.423 38.947 38.487 0.061 0.000 1.083 273 N HN 0.424 nan 8.380 nan 0.000 0.476 274 C N 2.115 121.484 119.300 0.114 0.000 2.674 274 C HA 0.561 5.022 4.460 0.001 0.000 0.276 274 C C 1.221 176.387 174.990 0.294 0.000 1.300 274 C CA 0.652 59.788 59.018 0.197 0.000 1.732 274 C CB -1.203 26.667 27.740 0.217 0.000 2.076 274 C HN 0.911 nan 8.230 nan 0.000 0.548 275 G N -1.451 107.455 108.800 0.177 0.000 2.356 275 G HA2 0.292 4.253 3.960 0.001 0.000 0.266 275 G HA3 0.292 4.253 3.960 0.001 0.000 0.266 275 G C -2.155 172.783 174.900 0.063 0.000 1.312 275 G CA -0.443 44.718 45.100 0.102 0.000 0.922 275 G HN 0.031 nan 8.290 nan 0.000 0.480 276 Y N 0.529 120.719 120.300 -0.184 0.000 2.457 276 Y HA 0.752 5.302 4.550 0.001 0.000 0.343 276 Y C 0.041 175.826 175.900 -0.193 0.000 0.994 276 Y CA -0.863 57.153 58.100 -0.141 0.000 1.031 276 Y CB 2.018 40.407 38.460 -0.118 0.000 1.246 276 Y HN 0.711 nan 8.280 nan 0.000 0.449 277 R N 4.715 125.021 120.500 -0.323 0.000 2.460 277 R HA 0.565 4.905 4.340 0.001 0.000 0.303 277 R C -0.819 175.330 176.300 -0.251 0.000 0.968 277 R CA -0.611 55.296 56.100 -0.322 0.000 0.889 277 R CB 0.949 31.117 30.300 -0.221 0.000 1.123 277 R HN 0.902 nan 8.270 nan 0.000 0.455 278 R N 3.466 123.774 120.500 -0.320 0.000 2.698 278 R HA 0.226 4.567 4.340 0.001 0.000 0.422 278 R C -0.724 175.432 176.300 -0.241 0.000 1.073 278 R CA -0.321 55.668 56.100 -0.185 0.000 1.054 278 R CB 0.434 30.665 30.300 -0.115 0.000 1.373 278 R HN 0.811 nan 8.270 nan 0.000 0.593 279 C N -2.194 116.929 119.300 -0.295 0.000 3.311 279 C HA 0.588 5.049 4.460 0.001 0.000 0.366 279 C C -0.435 174.489 174.990 -0.110 0.000 1.694 279 C CA -1.503 57.379 59.018 -0.226 0.000 1.244 279 C CB 1.147 28.681 27.740 -0.342 0.000 2.038 279 C HN 0.394 nan 8.230 nan 0.000 0.436 280 R N 1.265 121.747 120.500 -0.030 0.000 2.484 280 R HA 0.491 4.832 4.340 0.001 0.000 0.293 280 R C 0.125 176.481 176.300 0.094 0.000 1.023 280 R CA 0.942 57.077 56.100 0.059 0.000 1.037 280 R CB -0.048 30.324 30.300 0.120 0.000 0.951 280 R HN 1.219 nan 8.270 nan 0.000 0.418 281 A N 3.590 126.480 122.820 0.117 0.000 2.409 281 A HA 0.207 4.527 4.320 0.001 0.000 0.262 281 A C 0.986 178.671 177.584 0.168 0.000 1.113 281 A CA 0.119 52.249 52.037 0.155 0.000 0.790 281 A CB 0.429 19.530 19.000 0.168 0.000 1.046 281 A HN 1.017 nan 8.150 nan 0.000 0.496 282 S N 1.931 117.745 115.700 0.191 0.000 2.522 282 S HA 0.113 4.584 4.470 0.001 0.000 0.227 282 S C 1.023 175.726 174.600 0.171 0.000 0.986 282 S CA 0.693 59.001 58.200 0.181 0.000 0.929 282 S CB 0.081 63.395 63.200 0.190 0.000 0.769 282 S HN 1.294 nan 8.310 nan 0.000 0.529 283 G N 1.739 110.662 108.800 0.204 0.000 4.547 283 G HA2 0.524 4.485 3.960 0.001 0.000 0.301 283 G HA3 0.524 4.485 3.960 0.001 0.000 0.301 283 G C -0.210 174.820 174.900 0.217 0.000 1.240 283 G CA -0.060 45.167 45.100 0.212 0.000 0.970 283 G HN 0.616 nan 8.290 nan 0.000 0.574 284 V N -2.405 117.617 119.914 0.179 0.000 3.046 284 V HA 0.607 4.727 4.120 0.001 0.000 0.316 284 V C 1.301 177.469 176.094 0.123 0.000 1.104 284 V CA -0.954 61.463 62.300 0.195 0.000 1.006 284 V CB 1.770 33.758 31.823 0.276 0.000 1.058 284 V HN 0.071 nan 8.190 nan 0.000 0.440 285 L N 2.281 123.590 121.223 0.144 0.000 2.131 285 L HA -0.015 4.325 4.340 0.001 0.000 0.210 285 L C 2.279 179.168 176.870 0.031 0.000 1.092 285 L CA 2.986 57.899 54.840 0.122 0.000 0.759 285 L CB -0.641 41.521 42.059 0.170 0.000 0.903 285 L HN 1.086 nan 8.230 nan 0.000 0.435 286 T N -5.853 108.636 114.554 -0.109 0.000 3.129 286 T HA -0.000 4.350 4.350 0.001 0.000 0.251 286 T C 1.565 176.209 174.700 -0.094 0.000 1.117 286 T CA 0.734 62.721 62.100 -0.189 0.000 1.034 286 T CB -0.716 67.864 68.868 -0.480 0.000 0.968 286 T HN 0.271 nan 8.240 nan 0.000 0.526 287 T N 1.959 116.493 114.554 -0.034 0.000 2.652 287 T HA -0.155 4.196 4.350 0.001 0.000 0.267 287 T C 2.208 176.938 174.700 0.050 0.000 1.039 287 T CA 1.781 63.900 62.100 0.032 0.000 1.153 287 T CB -0.664 68.248 68.868 0.072 0.000 0.863 287 T HN 0.532 nan 8.240 nan 0.000 0.428 288 S N -0.257 115.457 115.700 0.023 0.000 2.355 288 S HA -0.148 4.323 4.470 0.001 0.000 0.222 288 S C 2.454 177.094 174.600 0.065 0.000 1.031 288 S CA 1.383 59.600 58.200 0.029 0.000 0.993 288 S CB -0.932 62.210 63.200 -0.097 0.000 0.859 288 S HN 0.674 nan 8.310 nan 0.000 0.453 289 C N 1.291 120.600 119.300 0.015 0.000 2.432 289 C HA 0.076 4.537 4.460 0.001 0.000 0.277 289 C C 2.826 177.866 174.990 0.083 0.000 1.249 289 C CA 1.190 60.223 59.018 0.025 0.000 1.725 289 C CB -1.791 25.937 27.740 -0.020 0.000 2.028 289 C HN 0.702 nan 8.230 nan 0.000 0.477 290 G N 0.428 109.289 108.800 0.102 0.000 2.418 290 G HA2 -0.209 3.751 3.960 0.001 0.000 0.217 290 G HA3 -0.209 3.751 3.960 0.001 0.000 0.217 290 G C 1.518 176.510 174.900 0.153 0.000 1.158 290 G CA 1.076 46.249 45.100 0.121 0.000 0.771 290 G HN 0.597 nan 8.290 nan 0.000 0.545 291 N N 0.393 119.189 118.700 0.159 0.000 2.120 291 N HA -0.072 4.668 4.740 0.001 0.000 0.188 291 N C 2.409 177.974 175.510 0.091 0.000 1.024 291 N CA 1.556 54.714 53.050 0.181 0.000 0.852 291 N CB -0.767 37.744 38.487 0.039 0.000 1.003 291 N HN 0.223 nan 8.380 nan 0.000 0.424 292 T N 1.813 116.423 114.554 0.093 0.000 2.684 292 T HA -0.029 4.322 4.350 0.001 0.000 0.267 292 T C 2.096 176.870 174.700 0.123 0.000 1.036 292 T CA 0.783 62.945 62.100 0.104 0.000 1.148 292 T CB -0.290 68.688 68.868 0.183 0.000 0.863 292 T HN 0.136 nan 8.240 nan 0.000 0.436 293 L N 0.489 121.773 121.223 0.101 0.000 2.056 293 L HA -0.102 4.238 4.340 0.001 0.000 0.207 293 L C 2.943 179.914 176.870 0.168 0.000 1.078 293 L CA 1.225 56.127 54.840 0.104 0.000 0.749 293 L CB -1.013 41.072 42.059 0.043 0.000 0.901 293 L HN 0.284 nan 8.230 nan 0.000 0.433 294 T N -1.229 113.437 114.554 0.187 0.000 2.777 294 T HA -0.223 4.128 4.350 0.001 0.000 0.266 294 T C 2.033 176.912 174.700 0.298 0.000 1.040 294 T CA 1.426 63.661 62.100 0.225 0.000 1.141 294 T CB -0.437 68.593 68.868 0.270 0.000 0.868 294 T HN 0.445 nan 8.240 nan 0.000 0.444 295 C N 0.784 120.313 119.300 0.381 0.000 2.413 295 C HA -0.134 4.327 4.460 0.001 0.000 0.276 295 C C 2.391 177.523 174.990 0.236 0.000 1.236 295 C CA 0.755 59.978 59.018 0.341 0.000 1.735 295 C CB -1.426 26.388 27.740 0.123 0.000 2.031 295 C HN 0.645 nan 8.230 nan 0.000 0.474 296 Y N 1.430 121.780 120.300 0.083 0.000 2.128 296 Y HA -0.119 4.431 4.550 0.001 0.000 0.284 296 Y C 2.070 177.979 175.900 0.014 0.000 1.154 296 Y CA 2.222 60.348 58.100 0.044 0.000 1.149 296 Y CB -0.535 37.934 38.460 0.014 0.000 0.976 296 Y HN 0.371 nan 8.280 nan 0.000 0.505 297 I N 0.268 120.812 120.570 -0.043 0.000 2.142 297 I HA -0.345 3.826 4.170 0.001 0.000 0.240 297 I C 2.409 178.364 176.117 -0.270 0.000 1.078 297 I CA 1.819 62.959 61.300 -0.266 0.000 1.343 297 I CB -0.465 37.380 38.000 -0.259 0.000 1.046 297 I HN 0.159 nan 8.210 nan 0.000 0.405 298 K N 0.861 121.204 120.400 -0.094 0.000 2.026 298 K HA -0.158 4.163 4.320 0.001 0.000 0.208 298 K C 2.276 178.894 176.600 0.030 0.000 1.048 298 K CA 1.651 57.916 56.287 -0.037 0.000 0.929 298 K CB -0.325 32.248 32.500 0.121 0.000 0.713 298 K HN 0.329 nan 8.250 nan 0.000 0.439 299 A N 1.460 124.302 122.820 0.036 0.000 1.930 299 A HA -0.164 4.157 4.320 0.001 0.000 0.217 299 A C 2.111 179.750 177.584 0.091 0.000 1.175 299 A CA 1.372 53.481 52.037 0.121 0.000 0.627 299 A CB -0.420 18.721 19.000 0.236 0.000 0.815 299 A HN 0.228 nan 8.150 nan 0.000 0.443 300 R N -0.380 120.041 120.500 -0.132 0.000 2.075 300 R HA -0.070 4.270 4.340 0.001 0.000 0.232 300 R C 2.251 178.490 176.300 -0.101 0.000 1.126 300 R CA 1.404 57.385 56.100 -0.199 0.000 0.963 300 R CB -0.365 29.610 30.300 -0.541 0.000 0.858 300 R HN 0.429 nan 8.270 nan 0.000 0.435 301 A N 0.629 123.392 122.820 -0.094 0.000 1.898 301 A HA -0.043 4.277 4.320 0.001 0.000 0.216 301 A C 2.336 179.966 177.584 0.077 0.000 1.181 301 A CA 1.491 53.535 52.037 0.011 0.000 0.620 301 A CB -0.740 18.275 19.000 0.024 0.000 0.819 301 A HN 0.516 nan 8.150 nan 0.000 0.442 302 A N -1.011 121.879 122.820 0.116 0.000 1.972 302 A HA -0.160 4.160 4.320 0.001 0.000 0.219 302 A C 2.254 179.876 177.584 0.062 0.000 1.169 302 A CA 1.610 53.596 52.037 -0.084 0.000 0.635 302 A CB -1.269 17.352 19.000 -0.631 0.000 0.810 302 A HN 0.591 nan 8.150 nan 0.000 0.446 303 C N -0.880 118.562 119.300 0.236 0.000 2.413 303 C HA -0.113 4.347 4.460 0.001 0.000 0.276 303 C C 2.897 177.907 174.990 0.035 0.000 1.248 303 C CA 1.215 60.377 59.018 0.240 0.000 1.742 303 C CB -1.307 26.533 27.740 0.166 0.000 2.017 303 C HN 0.617 nan 8.230 nan 0.000 0.481 304 R N 0.944 121.375 120.500 -0.115 0.000 2.075 304 R HA -0.062 4.279 4.340 0.001 0.000 0.232 304 R C 2.424 178.494 176.300 -0.384 0.000 1.126 304 R CA 1.543 57.453 56.100 -0.316 0.000 0.963 304 R CB -0.534 29.412 30.300 -0.591 0.000 0.858 304 R HN 0.525 nan 8.270 nan 0.000 0.435 305 A N 1.253 123.856 122.820 -0.361 0.000 1.933 305 A HA -0.069 4.252 4.320 0.001 0.000 0.218 305 A C 2.215 179.772 177.584 -0.045 0.000 1.175 305 A CA 1.668 53.620 52.037 -0.143 0.000 0.628 305 A CB -0.429 18.542 19.000 -0.049 0.000 0.814 305 A HN 0.391 nan 8.150 nan 0.000 0.444 306 A N -1.669 121.145 122.820 -0.010 0.000 2.208 306 A HA 0.411 4.731 4.320 0.001 0.000 0.209 306 A C 1.757 179.362 177.584 0.035 0.000 1.161 306 A CA 1.133 53.196 52.037 0.044 0.000 0.782 306 A CB -0.980 18.114 19.000 0.157 0.000 0.816 306 A HN 1.880 nan 8.150 nan 0.000 0.477 307 G N -0.415 108.391 108.800 0.011 0.000 2.249 307 G HA2 -0.231 3.730 3.960 0.001 0.000 0.273 307 G HA3 -0.231 3.730 3.960 0.001 0.000 0.273 307 G C 0.038 174.951 174.900 0.023 0.000 1.036 307 G CA 0.347 45.454 45.100 0.012 0.000 0.824 307 G HN 0.471 nan 8.290 nan 0.000 0.504 308 L N -0.090 121.157 121.223 0.039 0.000 2.455 308 L HA 0.250 4.590 4.340 0.001 0.000 0.272 308 L C 1.057 177.939 176.870 0.021 0.000 1.174 308 L CA -0.007 54.858 54.840 0.042 0.000 0.869 308 L CB 1.026 43.129 42.059 0.074 0.000 1.130 308 L HN 0.427 nan 8.230 nan 0.000 0.474 309 Q N 3.896 123.702 119.800 0.011 0.000 2.296 309 Q HA 0.072 4.412 4.340 0.001 0.000 0.257 309 Q C -0.884 175.108 176.000 -0.014 0.000 0.942 309 Q CA -0.536 55.266 55.803 -0.002 0.000 0.939 309 Q CB 0.756 29.490 28.738 -0.006 0.000 1.198 309 Q HN 0.519 nan 8.270 nan 0.000 0.429 310 D N 2.309 122.701 120.400 -0.013 0.000 2.956 310 D HA -0.169 4.471 4.640 0.001 0.000 0.240 310 D C -1.129 175.154 176.300 -0.027 0.000 1.141 310 D CA 0.470 54.456 54.000 -0.023 0.000 0.820 310 D CB -1.283 39.493 40.800 -0.039 0.000 0.988 310 D HN 0.478 nan 8.370 nan 0.000 0.417 311 C N 0.935 120.228 119.300 -0.011 0.000 2.452 311 C HA 0.462 4.922 4.460 0.001 0.000 0.379 311 C C 0.961 175.950 174.990 -0.001 0.000 1.275 311 C CA 0.068 59.079 59.018 -0.011 0.000 2.056 311 C CB 0.882 28.625 27.740 0.006 0.000 2.506 311 C HN 0.359 nan 8.230 nan 0.000 0.560 312 T N 5.985 120.531 114.554 -0.014 0.000 2.809 312 T HA 0.545 4.896 4.350 0.001 0.000 0.284 312 T C -0.390 174.352 174.700 0.070 0.000 0.992 312 T CA -0.256 61.863 62.100 0.032 0.000 0.957 312 T CB 0.940 69.780 68.868 -0.047 0.000 0.942 312 T HN 0.747 nan 8.240 nan 0.000 0.439 313 M N 2.585 122.278 119.600 0.155 0.000 2.528 313 M HA 0.851 5.331 4.480 0.001 0.000 0.321 313 M C -1.671 174.736 176.300 0.178 0.000 1.153 313 M CA -1.310 54.064 55.300 0.124 0.000 0.951 313 M CB 1.895 34.549 32.600 0.090 0.000 1.705 313 M HN 0.380 nan 8.290 nan 0.000 0.451 314 L N 3.350 124.610 121.223 0.062 0.000 2.349 314 L HA 0.742 5.082 4.340 0.001 0.000 0.278 314 L C -1.686 175.118 176.870 -0.110 0.000 0.996 314 L CA -0.417 54.363 54.840 -0.100 0.000 0.825 314 L CB 2.002 43.971 42.059 -0.151 0.000 1.243 314 L HN 0.705 nan 8.230 nan 0.000 0.412 315 V N 4.185 124.016 119.914 -0.138 0.000 2.487 315 V HA 0.465 4.586 4.120 0.001 0.000 0.298 315 V C -0.765 175.139 176.094 -0.317 0.000 1.028 315 V CA -0.477 61.750 62.300 -0.121 0.000 0.860 315 V CB 1.614 33.465 31.823 0.046 0.000 0.991 315 V HN 0.860 nan 8.190 nan 0.000 0.427 316 C N 4.741 123.798 119.300 -0.405 0.000 2.534 316 C HA 0.764 5.224 4.460 0.001 0.000 0.309 316 C C 1.270 176.097 174.990 -0.272 0.000 1.072 316 C CA -0.059 58.492 59.018 -0.778 0.000 1.441 316 C CB -0.271 26.812 27.740 -1.094 0.000 1.906 316 C HN 1.370 nan 8.230 nan 0.000 0.429 317 G N 4.427 113.229 108.800 0.003 0.000 2.622 317 G HA2 -0.320 3.641 3.960 0.001 0.000 0.307 317 G HA3 -0.320 3.641 3.960 0.001 0.000 0.307 317 G C 0.830 175.594 174.900 -0.226 0.000 1.226 317 G CA 0.991 46.101 45.100 0.016 0.000 0.997 317 G HN 0.762 nan 8.290 nan 0.000 0.551 318 D N 1.265 121.438 120.400 -0.379 0.000 2.363 318 D HA 0.054 4.695 4.640 0.001 0.000 0.226 318 D C 0.469 176.607 176.300 -0.269 0.000 1.020 318 D CA 0.981 54.550 54.000 -0.719 0.000 0.892 318 D CB -0.165 40.192 40.800 -0.738 0.000 0.900 318 D HN 0.438 nan 8.370 nan 0.000 0.531 319 D N 0.505 120.815 120.400 -0.151 0.000 2.249 319 D HA 0.320 4.961 4.640 0.001 0.000 0.246 319 D C -1.011 175.258 176.300 -0.053 0.000 1.114 319 D CA -0.577 53.383 54.000 -0.067 0.000 0.854 319 D CB 1.257 42.013 40.800 -0.073 0.000 1.132 319 D HN 0.036 nan 8.370 nan 0.000 0.461 320 L N 5.063 126.302 121.223 0.027 0.000 2.410 320 L HA 0.513 4.853 4.340 0.001 0.000 0.270 320 L C -1.736 175.130 176.870 -0.007 0.000 0.983 320 L CA -0.721 54.142 54.840 0.039 0.000 0.822 320 L CB 1.884 44.038 42.059 0.160 0.000 1.285 320 L HN 0.159 nan 8.230 nan 0.000 0.409 321 V N 5.836 125.701 119.914 -0.082 0.000 2.735 321 V HA 0.837 4.958 4.120 0.001 0.000 0.310 321 V C -1.530 174.400 176.094 -0.272 0.000 1.061 321 V CA -0.345 61.849 62.300 -0.176 0.000 0.913 321 V CB 2.360 34.124 31.823 -0.098 0.000 1.005 321 V HN 0.596 nan 8.190 nan 0.000 0.428 322 V N 7.496 127.064 119.914 -0.576 0.000 2.588 322 V HA 0.582 4.702 4.120 0.001 0.000 0.304 322 V C -0.419 175.418 176.094 -0.428 0.000 1.042 322 V CA -0.429 61.514 62.300 -0.594 0.000 0.877 322 V CB 1.802 32.960 31.823 -1.108 0.000 0.996 322 V HN 0.774 nan 8.190 nan 0.000 0.425 323 I N 4.971 125.434 120.570 -0.178 0.000 2.406 323 I HA 0.690 4.860 4.170 0.001 0.000 0.290 323 I C -0.069 175.991 176.117 -0.095 0.000 0.999 323 I CA -0.349 60.905 61.300 -0.078 0.000 1.124 323 I CB 1.662 39.674 38.000 0.020 0.000 1.289 323 I HN 0.873 nan 8.210 nan 0.000 0.441 324 C N 2.332 121.573 119.300 -0.098 0.000 3.318 324 C HA 0.684 5.145 4.460 0.001 0.000 0.329 324 C C -0.287 174.634 174.990 -0.115 0.000 1.449 324 C CA -0.897 58.072 59.018 -0.081 0.000 1.397 324 C CB 1.433 29.162 27.740 -0.020 0.000 1.810 324 C HN 0.754 nan 8.230 nan 0.000 0.449 325 E N 1.362 121.512 120.200 -0.083 0.000 2.223 325 E HA 0.420 4.770 4.350 0.001 0.000 0.282 325 E C 0.198 176.772 176.600 -0.043 0.000 1.046 325 E CA 0.459 56.808 56.400 -0.085 0.000 0.857 325 E CB 0.938 30.599 29.700 -0.066 0.000 1.055 325 E HN 0.810 nan 8.360 nan 0.000 0.409 326 S N 3.187 118.869 115.700 -0.031 0.000 2.549 326 S HA 0.265 4.736 4.470 0.001 0.000 0.286 326 S C 0.574 175.190 174.600 0.027 0.000 1.314 326 S CA 0.280 58.507 58.200 0.044 0.000 1.062 326 S CB 0.537 63.815 63.200 0.130 0.000 0.865 326 S HN 0.620 nan 8.310 nan 0.000 0.498 327 A N 3.647 126.491 122.820 0.041 0.000 2.430 327 A HA 0.636 4.956 4.320 0.001 0.000 0.243 327 A C 0.979 178.577 177.584 0.023 0.000 1.254 327 A CA 0.369 52.420 52.037 0.023 0.000 0.914 327 A CB -0.832 18.180 19.000 0.020 0.000 0.998 327 A HN 1.845 nan 8.150 nan 0.000 0.515 328 G N -2.092 106.730 108.800 0.037 0.000 2.515 328 G HA2 0.059 4.019 3.960 0.001 0.000 0.686 328 G HA3 0.059 4.019 3.960 0.001 0.000 0.686 328 G C 0.389 175.312 174.900 0.037 0.000 1.274 328 G CA -0.457 44.650 45.100 0.012 0.000 0.874 328 G HN 0.497 nan 8.290 nan 0.000 0.631 329 V N 0.617 120.526 119.914 -0.008 0.000 2.270 329 V HA -0.182 3.938 4.120 0.001 0.000 0.245 329 V C 2.941 179.068 176.094 0.054 0.000 1.043 329 V CA 3.047 65.358 62.300 0.018 0.000 1.014 329 V CB -0.714 31.074 31.823 -0.058 0.000 0.645 329 V HN 0.744 nan 8.190 nan 0.000 0.447 330 Q N -0.038 119.776 119.800 0.024 0.000 2.119 330 Q HA -0.177 4.163 4.340 0.001 0.000 0.201 330 Q C 2.123 178.138 176.000 0.025 0.000 0.972 330 Q CA 1.502 57.318 55.803 0.022 0.000 0.847 330 Q CB -0.377 28.367 28.738 0.010 0.000 0.903 330 Q HN 0.675 nan 8.270 nan 0.000 0.433 331 E N 0.595 120.810 120.200 0.025 0.000 2.051 331 E HA -0.178 4.173 4.350 0.001 0.000 0.192 331 E C 1.536 178.153 176.600 0.028 0.000 0.991 331 E CA 1.434 57.848 56.400 0.023 0.000 0.799 331 E CB -0.170 29.543 29.700 0.021 0.000 0.748 331 E HN 0.312 nan 8.360 nan 0.000 0.449 332 D N 0.055 120.488 120.400 0.055 0.000 2.097 332 D HA -0.132 4.508 4.640 0.001 0.000 0.195 332 D C 1.864 178.171 176.300 0.011 0.000 0.989 332 D CA 1.566 55.598 54.000 0.054 0.000 0.827 332 D CB -0.432 40.455 40.800 0.144 0.000 0.966 332 D HN 0.213 nan 8.370 nan 0.000 0.456 333 A N 0.908 123.748 122.820 0.033 0.000 1.902 333 A HA -0.037 4.283 4.320 0.001 0.000 0.217 333 A C 2.291 179.866 177.584 -0.015 0.000 1.181 333 A CA 2.232 54.273 52.037 0.006 0.000 0.623 333 A CB -0.681 18.337 19.000 0.029 0.000 0.818 333 A HN 0.240 nan 8.150 nan 0.000 0.443 334 A N -0.887 121.931 122.820 -0.003 0.000 1.930 334 A HA -0.020 4.301 4.320 0.001 0.000 0.217 334 A C 2.419 179.996 177.584 -0.011 0.000 1.175 334 A CA 1.895 53.929 52.037 -0.005 0.000 0.627 334 A CB -0.755 18.246 19.000 0.002 0.000 0.815 334 A HN 0.424 nan 8.150 nan 0.000 0.443 335 S N -0.601 115.091 115.700 -0.014 0.000 2.383 335 S HA -0.105 4.366 4.470 0.001 0.000 0.227 335 S C 1.822 176.401 174.600 -0.035 0.000 1.026 335 S CA 1.326 59.520 58.200 -0.011 0.000 0.981 335 S CB -0.312 62.884 63.200 -0.005 0.000 0.818 335 S HN 0.453 nan 8.310 nan 0.000 0.472 336 L N 2.112 123.264 121.223 -0.118 0.000 2.056 336 L HA 0.067 4.407 4.340 0.001 0.000 0.207 336 L C 2.143 178.977 176.870 -0.061 0.000 1.078 336 L CA 1.628 56.323 54.840 -0.241 0.000 0.749 336 L CB -0.601 41.217 42.059 -0.401 0.000 0.901 336 L HN 0.128 nan 8.230 nan 0.000 0.433 337 R N -0.705 119.775 120.500 -0.033 0.000 2.096 337 R HA -0.121 4.220 4.340 0.001 0.000 0.235 337 R C 2.180 178.489 176.300 0.015 0.000 1.127 337 R CA 1.229 57.332 56.100 0.005 0.000 0.968 337 R CB -0.560 29.738 30.300 -0.004 0.000 0.861 337 R HN 0.499 nan 8.270 nan 0.000 0.440 338 A N 0.702 123.529 122.820 0.011 0.000 1.930 338 A HA -0.177 4.143 4.320 0.001 0.000 0.217 338 A C 1.930 179.516 177.584 0.004 0.000 1.175 338 A CA 0.947 52.985 52.037 0.001 0.000 0.627 338 A CB -0.574 18.430 19.000 0.006 0.000 0.815 338 A HN 0.369 nan 8.150 nan 0.000 0.443 339 F N 1.408 121.293 119.950 -0.109 0.000 2.102 339 F HA -0.174 4.354 4.527 0.001 0.000 0.298 339 F C 2.449 178.168 175.800 -0.135 0.000 1.105 339 F CA 2.350 60.275 58.000 -0.125 0.000 1.239 339 F CB -0.605 38.307 39.000 -0.146 0.000 0.991 339 F HN 0.204 nan 8.300 nan 0.000 0.474 340 T N 0.211 114.821 114.554 0.094 0.000 2.720 340 T HA -0.216 4.135 4.350 0.001 0.000 0.268 340 T C 1.694 176.357 174.700 -0.061 0.000 1.037 340 T CA 1.855 64.011 62.100 0.093 0.000 1.144 340 T CB -0.379 68.626 68.868 0.227 0.000 0.864 340 T HN 0.413 nan 8.240 nan 0.000 0.444 341 E N 1.002 121.152 120.200 -0.082 0.000 2.085 341 E HA -0.088 4.262 4.350 0.001 0.000 0.194 341 E C 2.557 179.014 176.600 -0.239 0.000 0.994 341 E CA 1.043 57.371 56.400 -0.121 0.000 0.801 341 E CB -0.227 29.419 29.700 -0.090 0.000 0.743 341 E HN 0.496 nan 8.360 nan 0.000 0.453 342 A N 1.246 123.863 122.820 -0.338 0.000 1.873 342 A HA -0.176 4.145 4.320 0.001 0.000 0.215 342 A C 2.168 179.288 177.584 -0.773 0.000 1.186 342 A CA 1.219 52.914 52.037 -0.571 0.000 0.616 342 A CB -0.319 18.377 19.000 -0.506 0.000 0.823 342 A HN 0.109 nan 8.150 nan 0.000 0.442 343 M N -0.132 119.105 119.600 -0.606 0.000 2.149 343 M HA -0.127 4.354 4.480 0.001 0.000 0.261 343 M C 2.167 178.363 176.300 -0.173 0.000 1.064 343 M CA 2.052 57.125 55.300 -0.379 0.000 1.102 343 M CB -1.921 30.380 32.600 -0.498 0.000 1.369 343 M HN 0.461 nan 8.290 nan 0.000 0.408 344 T N 0.050 114.508 114.554 -0.160 0.000 2.746 344 T HA -0.107 4.244 4.350 0.001 0.000 0.267 344 T C 1.925 176.556 174.700 -0.115 0.000 1.039 344 T CA 1.091 63.142 62.100 -0.082 0.000 1.142 344 T CB -0.200 68.632 68.868 -0.061 0.000 0.866 344 T HN 0.390 nan 8.240 nan 0.000 0.444 345 R N 0.075 120.442 120.500 -0.222 0.000 2.127 345 R HA -0.083 4.257 4.340 0.001 0.000 0.238 345 R C 1.723 177.965 176.300 -0.097 0.000 1.134 345 R CA 1.160 57.138 56.100 -0.203 0.000 0.975 345 R CB -0.305 29.813 30.300 -0.303 0.000 0.865 345 R HN 0.434 nan 8.270 nan 0.000 0.447 346 Y N 0.096 120.336 120.300 -0.101 0.000 2.529 346 Y HA -0.016 4.534 4.550 0.001 0.000 0.290 346 Y C 1.328 177.169 175.900 -0.099 0.000 1.177 346 Y CA 0.224 58.251 58.100 -0.122 0.000 1.305 346 Y CB -0.051 38.354 38.460 -0.093 0.000 1.047 346 Y HN 0.215 nan 8.280 nan 0.000 0.522 347 S N -2.320 113.415 115.700 0.060 0.000 2.289 347 S HA -0.130 4.341 4.470 0.001 0.000 0.257 347 S C 0.250 174.869 174.600 0.032 0.000 1.347 347 S CA 0.315 58.534 58.200 0.032 0.000 1.191 347 S CB -1.899 61.311 63.200 0.017 0.000 1.486 347 S HN 0.648 nan 8.310 nan 0.000 0.655 348 A N 2.129 124.980 122.820 0.052 0.000 3.150 348 A HA 0.717 5.037 4.320 0.001 0.000 0.328 348 A C -2.081 175.613 177.584 0.182 0.000 1.104 348 A CA -1.305 50.791 52.037 0.099 0.000 0.937 348 A CB 0.449 19.538 19.000 0.148 0.000 1.073 348 A HN 0.479 nan 8.150 nan 0.000 0.497 349 P HA 0.334 nan 4.420 nan 0.000 0.274 349 P C -2.914 174.422 177.300 0.061 0.000 1.237 349 P CA -1.287 61.864 63.100 0.086 0.000 0.793 349 P CB 0.623 32.306 31.700 -0.029 0.000 0.977 350 P HA 0.152 nan 4.420 nan 0.000 0.281 350 P C 0.739 177.968 177.300 -0.118 0.000 1.264 350 P CA -0.105 62.870 63.100 -0.208 0.000 0.824 350 P CB 0.784 32.288 31.700 -0.327 0.000 1.092 351 G N 0.688 109.420 108.800 -0.115 0.000 2.654 351 G HA2 -0.017 3.944 3.960 0.001 0.000 0.215 351 G HA3 -0.017 3.944 3.960 0.001 0.000 0.215 351 G C -0.148 174.711 174.900 -0.067 0.000 1.310 351 G CA 0.335 45.394 45.100 -0.068 0.000 0.866 351 G HN 0.469 nan 8.290 nan 0.000 0.558 352 D N 1.677 122.037 120.400 -0.067 0.000 2.210 352 D HA 0.397 5.037 4.640 0.001 0.000 0.249 352 D C -2.271 173.991 176.300 -0.064 0.000 1.078 352 D CA -1.085 52.885 54.000 -0.050 0.000 0.875 352 D CB 1.409 42.189 40.800 -0.033 0.000 1.175 352 D HN -0.019 nan 8.370 nan 0.000 0.440 353 P HA 0.120 nan 4.420 nan 0.000 0.267 353 P C -2.334 174.962 177.300 -0.007 0.000 1.200 353 P CA -0.843 62.245 63.100 -0.020 0.000 0.772 353 P CB -0.218 31.481 31.700 -0.002 0.000 0.855 354 P HA 0.072 nan 4.420 nan 0.000 0.269 354 P C -0.810 176.497 177.300 0.012 0.000 1.215 354 P CA 0.155 63.291 63.100 0.061 0.000 0.780 354 P CB 0.593 32.371 31.700 0.130 0.000 0.898 355 Q N 1.361 121.184 119.800 0.039 0.000 2.356 355 Q HA 0.442 4.782 4.340 0.001 0.000 0.270 355 Q C -2.459 173.559 176.000 0.029 0.000 1.058 355 Q CA -2.194 53.622 55.803 0.022 0.000 0.802 355 Q CB 1.487 30.248 28.738 0.038 0.000 1.303 355 Q HN 0.313 nan 8.270 nan 0.000 0.444 356 P HA 0.113 nan 4.420 nan 0.000 0.271 356 P C -0.531 176.704 177.300 -0.109 0.000 1.216 356 P CA 0.106 63.159 63.100 -0.077 0.000 0.771 356 P CB 0.836 32.493 31.700 -0.071 0.000 0.864 357 E N 2.047 122.135 120.200 -0.187 0.000 2.238 357 E HA 0.225 4.575 4.350 0.001 0.000 0.267 357 E C -0.557 175.932 176.600 -0.184 0.000 0.887 357 E CA -0.384 55.964 56.400 -0.087 0.000 0.769 357 E CB 1.573 31.289 29.700 0.027 0.000 1.187 357 E HN 0.453 nan 8.360 nan 0.000 0.416 358 Y N -0.281 120.173 120.300 0.257 0.000 2.557 358 Y HA 0.196 4.746 4.550 0.001 0.000 0.247 358 Y C -0.261 175.909 175.900 0.450 0.000 1.164 358 Y CA -0.365 57.942 58.100 0.346 0.000 1.218 358 Y CB 1.073 39.638 38.460 0.175 0.000 1.210 358 Y HN 0.200 nan 8.280 nan 0.000 0.529 359 D N 0.311 120.916 120.400 0.341 0.000 2.391 359 D HA 0.149 4.789 4.640 0.001 0.000 0.245 359 D C 0.882 176.977 176.300 -0.342 0.000 1.069 359 D CA -0.424 53.646 54.000 0.116 0.000 0.831 359 D CB 2.348 43.184 40.800 0.060 0.000 1.204 359 D HN -0.012 nan 8.370 nan 0.000 0.503 360 L N 2.684 123.411 121.223 -0.828 0.000 2.043 360 L HA -0.151 4.189 4.340 0.001 0.000 0.212 360 L C 1.732 178.254 176.870 -0.581 0.000 1.075 360 L CA 1.967 56.033 54.840 -1.289 0.000 0.752 360 L CB -0.340 40.918 42.059 -1.334 0.000 0.891 360 L HN 0.563 nan 8.230 nan 0.000 0.432 361 E N -0.871 119.129 120.200 -0.334 0.000 2.333 361 E HA -0.195 4.156 4.350 0.001 0.000 0.198 361 E C 1.967 178.472 176.600 -0.158 0.000 1.007 361 E CA 0.824 57.103 56.400 -0.202 0.000 0.845 361 E CB -0.115 29.510 29.700 -0.125 0.000 0.766 361 E HN 0.640 nan 8.360 nan 0.000 0.507 362 L N 0.732 121.856 121.223 -0.164 0.000 2.509 362 L HA 0.088 4.428 4.340 0.001 0.000 0.222 362 L C 0.562 177.374 176.870 -0.097 0.000 1.123 362 L CA -0.343 54.440 54.840 -0.095 0.000 0.856 362 L CB 0.143 42.175 42.059 -0.045 0.000 0.985 362 L HN 0.091 nan 8.230 nan 0.000 0.456 363 I N 0.991 121.461 120.570 -0.166 0.000 2.533 363 I HA 0.027 4.197 4.170 0.001 0.000 0.284 363 I C 0.178 176.247 176.117 -0.080 0.000 1.109 363 I CA 0.787 62.014 61.300 -0.122 0.000 1.412 363 I CB 0.629 38.520 38.000 -0.182 0.000 1.396 363 I HN -0.006 nan 8.210 nan 0.000 0.543 364 T N 4.863 119.393 114.554 -0.040 0.000 2.809 364 T HA 0.289 4.639 4.350 0.001 0.000 0.284 364 T C 0.027 174.721 174.700 -0.010 0.000 0.992 364 T CA -0.559 61.531 62.100 -0.017 0.000 0.957 364 T CB 1.329 70.196 68.868 -0.001 0.000 0.942 364 T HN 0.597 nan 8.240 nan 0.000 0.439 365 S N 1.698 117.396 115.700 -0.004 0.000 2.498 365 S HA 0.372 4.842 4.470 0.001 0.000 0.317 365 S C 0.538 175.147 174.600 0.016 0.000 1.090 365 S CA -0.503 57.687 58.200 -0.016 0.000 1.089 365 S CB -0.213 62.962 63.200 -0.040 0.000 0.997 365 S HN 0.992 nan 8.310 nan 0.000 0.470 366 C N 3.977 123.284 119.300 0.011 0.000 4.056 366 C HA -0.160 4.301 4.460 0.001 0.000 0.302 366 C C 1.306 176.363 174.990 0.112 0.000 1.356 366 C CA 0.686 59.739 59.018 0.058 0.000 2.074 366 C CB -3.305 24.471 27.740 0.059 0.000 1.328 366 C HN 1.313 nan 8.230 nan 0.000 0.684 367 S N -2.020 113.730 115.700 0.082 0.000 3.127 367 S HA -0.232 4.238 4.470 0.001 0.000 0.281 367 S C 0.447 175.103 174.600 0.094 0.000 1.293 367 S CA 1.587 59.834 58.200 0.080 0.000 1.156 367 S CB -1.278 61.978 63.200 0.095 0.000 1.389 367 S HN 1.970 nan 8.310 nan 0.000 0.672 368 S N 1.628 117.404 115.700 0.127 0.000 2.689 368 S HA 0.820 5.291 4.470 0.001 0.000 0.306 368 S C -0.738 173.911 174.600 0.083 0.000 1.104 368 S CA -0.302 58.000 58.200 0.171 0.000 0.973 368 S CB 2.132 65.542 63.200 0.350 0.000 1.121 368 S HN 0.581 nan 8.310 nan 0.000 0.523 369 N N -0.504 118.236 118.700 0.066 0.000 2.610 369 N HA 0.368 5.108 4.740 0.001 0.000 0.264 369 N C -1.646 173.828 175.510 -0.060 0.000 1.348 369 N CA -0.733 52.306 53.050 -0.019 0.000 0.819 369 N CB 1.452 39.908 38.487 -0.053 0.000 1.521 369 N HN 0.474 nan 8.380 nan 0.000 0.497 370 V N 0.500 120.342 119.914 -0.120 0.000 2.498 370 V HA 0.437 4.558 4.120 0.001 0.000 0.279 370 V C 0.428 176.381 176.094 -0.234 0.000 1.048 370 V CA -0.085 62.115 62.300 -0.166 0.000 0.967 370 V CB 0.841 32.588 31.823 -0.128 0.000 0.988 370 V HN 0.818 nan 8.190 nan 0.000 0.473 371 S N 3.287 118.727 115.700 -0.433 0.000 2.704 371 S HA 0.821 5.292 4.470 0.001 0.000 0.296 371 S C -1.101 173.237 174.600 -0.436 0.000 1.138 371 S CA -0.515 57.434 58.200 -0.420 0.000 0.875 371 S CB 2.105 65.049 63.200 -0.427 0.000 1.151 371 S HN 0.412 nan 8.310 nan 0.000 0.500 372 V N 1.773 121.538 119.914 -0.247 0.000 2.604 372 V HA 0.897 5.017 4.120 0.001 0.000 0.305 372 V C 0.340 176.329 176.094 -0.174 0.000 1.043 372 V CA -0.135 61.971 62.300 -0.323 0.000 0.888 372 V CB 0.960 32.490 31.823 -0.489 0.000 0.995 372 V HN 1.075 nan 8.190 nan 0.000 0.429 373 A N 3.644 126.282 122.820 -0.304 0.000 2.539 373 A HA 0.970 5.290 4.320 0.001 0.000 0.272 373 A C -1.300 175.757 177.584 -0.878 0.000 1.286 373 A CA -0.515 51.184 52.037 -0.564 0.000 0.792 373 A CB 1.523 20.038 19.000 -0.809 0.000 1.355 373 A HN 0.908 nan 8.150 nan 0.000 0.472 374 H N -0.267 118.496 119.070 -0.512 0.000 2.806 374 H HA 0.482 5.038 4.556 0.001 0.000 0.367 374 H C -1.044 174.076 175.328 -0.345 0.000 1.136 374 H CA -0.450 55.335 56.048 -0.437 0.000 1.178 374 H CB 1.374 30.822 29.762 -0.524 0.000 1.718 374 H HN 0.789 nan 8.280 nan 0.000 0.540 375 D N 0.626 121.007 120.400 -0.033 0.000 2.478 375 D HA 0.128 4.769 4.640 0.001 0.000 0.269 375 D C 1.598 178.031 176.300 0.222 0.000 1.232 375 D CA -0.413 53.627 54.000 0.066 0.000 1.059 375 D CB 0.212 41.033 40.800 0.035 0.000 1.104 375 D HN 0.642 nan 8.370 nan 0.000 0.566 376 G N -1.310 107.596 108.800 0.177 0.000 2.498 376 G HA2 -0.023 3.937 3.960 0.001 0.000 0.219 376 G HA3 -0.023 3.937 3.960 0.001 0.000 0.219 376 G C 1.169 176.139 174.900 0.117 0.000 1.119 376 G CA 0.769 45.953 45.100 0.140 0.000 0.766 376 G HN 0.648 nan 8.290 nan 0.000 0.552 377 A N -0.706 122.178 122.820 0.107 0.000 2.308 377 A HA 0.509 4.829 4.320 0.001 0.000 0.217 377 A C 1.934 179.568 177.584 0.084 0.000 1.216 377 A CA 1.141 53.223 52.037 0.076 0.000 0.864 377 A CB -0.177 18.855 19.000 0.054 0.000 0.902 377 A HN 1.472 nan 8.150 nan 0.000 0.499 378 G N -0.281 108.594 108.800 0.125 0.000 2.141 378 G HA2 -0.280 3.681 3.960 0.001 0.000 0.242 378 G HA3 -0.280 3.681 3.960 0.001 0.000 0.242 378 G C 0.208 175.172 174.900 0.108 0.000 0.982 378 G CA 0.500 45.651 45.100 0.085 0.000 0.662 378 G HN 0.737 nan 8.290 nan 0.000 0.527 379 K N 0.785 121.239 120.400 0.090 0.000 2.298 379 K HA 0.450 4.771 4.320 0.001 0.000 0.280 379 K C 0.940 177.552 176.600 0.021 0.000 1.032 379 K CA -0.717 55.608 56.287 0.064 0.000 0.958 379 K CB 0.312 32.834 32.500 0.038 0.000 0.978 379 K HN 0.317 nan 8.250 nan 0.000 0.472 380 R N 1.913 122.396 120.500 -0.027 0.000 2.570 380 R HA 0.104 4.444 4.340 0.001 0.000 0.277 380 R C -0.743 175.391 176.300 -0.277 0.000 1.039 380 R CA -0.207 55.713 56.100 -0.301 0.000 1.065 380 R CB 0.667 30.782 30.300 -0.308 0.000 0.964 380 R HN 0.266 nan 8.270 nan 0.000 0.428 381 V N 4.847 124.522 119.914 -0.397 0.000 2.443 381 V HA 0.227 4.347 4.120 0.001 0.000 0.293 381 V C -0.901 175.066 176.094 -0.212 0.000 1.021 381 V CA -0.894 61.288 62.300 -0.196 0.000 0.848 381 V CB 1.067 32.806 31.823 -0.140 0.000 0.998 381 V HN 0.591 nan 8.190 nan 0.000 0.424 382 Y N 5.403 125.690 120.300 -0.022 0.000 2.304 382 Y HA 0.610 5.160 4.550 0.001 0.000 0.328 382 Y C 0.090 176.034 175.900 0.073 0.000 1.123 382 Y CA -0.123 57.961 58.100 -0.027 0.000 1.218 382 Y CB 0.994 39.409 38.460 -0.076 0.000 1.207 382 Y HN 0.746 nan 8.280 nan 0.000 0.495 383 Y N 0.571 120.912 120.300 0.069 0.000 2.625 383 Y HA 0.661 5.212 4.550 0.001 0.000 0.338 383 Y C -2.131 173.820 175.900 0.086 0.000 1.123 383 Y CA -1.890 56.241 58.100 0.052 0.000 1.046 383 Y CB 0.764 39.222 38.460 -0.003 0.000 1.299 383 Y HN 0.448 nan 8.280 nan 0.000 0.464 384 L N 2.334 123.648 121.223 0.152 0.000 2.292 384 L HA 0.709 5.050 4.340 0.001 0.000 0.284 384 L C 0.036 177.144 176.870 0.396 0.000 1.065 384 L CA 0.531 55.462 54.840 0.153 0.000 0.806 384 L CB 1.289 43.446 42.059 0.163 0.000 1.175 384 L HN 1.018 nan 8.230 nan 0.000 0.431 385 T N 4.471 119.209 114.554 0.307 0.000 2.716 385 T HA 0.879 5.230 4.350 0.001 0.000 0.286 385 T C -1.133 173.703 174.700 0.227 0.000 1.052 385 T CA -0.574 61.773 62.100 0.412 0.000 1.024 385 T CB 1.131 70.212 68.868 0.355 0.000 1.349 385 T HN 0.858 nan 8.240 nan 0.000 0.525 386 R N 0.404 120.933 120.500 0.047 0.000 2.728 386 R HA 0.436 4.776 4.340 0.001 0.000 0.274 386 R C -1.610 174.495 176.300 -0.324 0.000 1.030 386 R CA -0.979 55.031 56.100 -0.150 0.000 0.876 386 R CB 0.341 30.472 30.300 -0.282 0.000 1.259 386 R HN 0.528 nan 8.270 nan 0.000 0.468 387 D N 1.540 121.756 120.400 -0.308 0.000 2.450 387 D HA 0.069 4.710 4.640 0.001 0.000 0.247 387 D C -1.410 174.489 176.300 -0.667 0.000 1.162 387 D CA -1.369 52.396 54.000 -0.391 0.000 0.879 387 D CB 1.351 42.016 40.800 -0.224 0.000 1.163 387 D HN 0.340 nan 8.370 nan 0.000 0.472 388 P HA 0.017 nan 4.420 nan 0.000 0.249 388 P C 1.151 178.123 177.300 -0.548 0.000 1.229 388 P CA 0.193 62.591 63.100 -1.171 0.000 0.788 388 P CB 0.297 31.226 31.700 -1.285 0.000 1.072 389 T N -0.283 114.064 114.554 -0.345 0.000 2.622 389 T HA -0.139 4.211 4.350 0.001 0.000 0.266 389 T C 1.747 176.379 174.700 -0.114 0.000 1.047 389 T CA 2.378 64.376 62.100 -0.171 0.000 1.159 389 T CB -1.185 67.627 68.868 -0.094 0.000 0.863 389 T HN 0.186 nan 8.240 nan 0.000 0.422 390 T N 2.184 116.677 114.554 -0.102 0.000 2.777 390 T HA -0.040 4.311 4.350 0.001 0.000 0.266 390 T C -0.576 174.087 174.700 -0.061 0.000 1.040 390 T CA 1.098 63.168 62.100 -0.050 0.000 1.141 390 T CB -1.192 67.683 68.868 0.011 0.000 0.868 390 T HN 0.329 nan 8.240 nan 0.000 0.444 391 P HA -0.010 nan 4.420 nan 0.000 0.215 391 P C 1.494 178.839 177.300 0.076 0.000 1.153 391 P CA 0.944 64.061 63.100 0.029 0.000 0.853 391 P CB -0.178 31.527 31.700 0.008 0.000 0.788 392 L N -1.385 119.831 121.223 -0.012 0.000 2.072 392 L HA -0.105 4.236 4.340 0.001 0.000 0.205 392 L C 2.495 179.394 176.870 0.048 0.000 1.079 392 L CA 1.374 56.225 54.840 0.019 0.000 0.752 392 L CB -1.201 40.827 42.059 -0.052 0.000 0.906 392 L HN -0.061 nan 8.230 nan 0.000 0.436 393 A N 0.343 123.180 122.820 0.029 0.000 1.908 393 A HA -0.232 4.088 4.320 0.001 0.000 0.218 393 A C 2.390 180.033 177.584 0.099 0.000 1.181 393 A CA 1.700 53.771 52.037 0.058 0.000 0.627 393 A CB -0.488 18.522 19.000 0.017 0.000 0.818 393 A HN 0.323 nan 8.150 nan 0.000 0.445 394 R N -0.832 119.705 120.500 0.062 0.000 2.115 394 R HA 0.027 4.367 4.340 0.001 0.000 0.226 394 R C 2.459 178.918 176.300 0.265 0.000 1.100 394 R CA 0.970 57.129 56.100 0.098 0.000 0.980 394 R CB -0.377 29.928 30.300 0.007 0.000 0.875 394 R HN 0.519 nan 8.270 nan 0.000 0.445 395 A N 1.217 124.216 122.820 0.298 0.000 1.902 395 A HA -0.111 4.210 4.320 0.001 0.000 0.217 395 A C 2.340 180.127 177.584 0.338 0.000 1.181 395 A CA 1.653 53.969 52.037 0.466 0.000 0.623 395 A CB -0.576 18.715 19.000 0.485 0.000 0.818 395 A HN 0.383 nan 8.150 nan 0.000 0.443 396 A N -1.295 121.640 122.820 0.192 0.000 1.902 396 A HA -0.190 4.131 4.320 0.001 0.000 0.217 396 A C 2.116 179.822 177.584 0.203 0.000 1.181 396 A CA 1.400 53.516 52.037 0.132 0.000 0.623 396 A CB -0.879 18.186 19.000 0.109 0.000 0.818 396 A HN 0.836 nan 8.150 nan 0.000 0.443 397 W N 0.980 122.325 121.300 0.075 0.000 2.358 397 W HA -0.148 4.513 4.660 0.001 0.000 0.303 397 W C 1.690 178.262 176.519 0.087 0.000 1.208 397 W CA 1.946 59.324 57.345 0.055 0.000 1.274 397 W CB -0.279 29.189 29.460 0.015 0.000 1.138 397 W HN 0.554 nan 8.180 nan 0.000 0.515 398 E N -0.790 119.665 120.200 0.424 0.000 2.274 398 E HA -0.136 4.214 4.350 0.001 0.000 0.194 398 E C 1.978 178.759 176.600 0.303 0.000 0.996 398 E CA 1.598 58.224 56.400 0.375 0.000 0.840 398 E CB -0.167 29.816 29.700 0.472 0.000 0.772 398 E HN 0.092 nan 8.360 nan 0.000 0.491 399 T N 0.334 115.055 114.554 0.278 0.000 2.904 399 T HA -0.052 4.299 4.350 0.001 0.000 0.267 399 T C 1.867 176.605 174.700 0.063 0.000 1.059 399 T CA 1.111 63.324 62.100 0.189 0.000 1.137 399 T CB 0.037 69.008 68.868 0.173 0.000 0.879 399 T HN 0.216 nan 8.240 nan 0.000 0.467 400 A N 0.948 123.755 122.820 -0.021 0.000 2.095 400 A HA 0.269 4.589 4.320 0.001 0.000 0.212 400 A C 1.066 178.534 177.584 -0.192 0.000 1.162 400 A CA 0.203 52.162 52.037 -0.131 0.000 0.753 400 A CB 0.220 19.083 19.000 -0.227 0.000 0.840 400 A HN 0.335 nan 8.150 nan 0.000 0.468 401 R N 0.104 120.482 120.500 -0.204 0.000 2.673 401 R HA 0.396 4.737 4.340 0.001 0.000 0.281 401 R C -1.237 175.010 176.300 -0.087 0.000 0.991 401 R CA -0.854 55.096 56.100 -0.249 0.000 0.896 401 R CB 1.038 31.072 30.300 -0.443 0.000 1.201 401 R HN 0.602 nan 8.270 nan 0.000 0.457 402 H N -0.323 118.770 119.070 0.039 0.000 3.001 402 H HA 0.199 4.755 4.556 0.001 0.000 0.334 402 H C -0.375 175.009 175.328 0.093 0.000 1.034 402 H CA -0.180 55.909 56.048 0.067 0.000 1.420 402 H CB 0.474 30.262 29.762 0.043 0.000 1.405 402 H HN 0.618 nan 8.280 nan 0.000 0.593 403 T N 0.952 115.654 114.554 0.247 0.000 2.912 403 T HA 0.299 4.650 4.350 0.001 0.000 0.299 403 T C -1.913 172.842 174.700 0.092 0.000 1.052 403 T CA -1.723 60.485 62.100 0.180 0.000 0.996 403 T CB 1.889 70.855 68.868 0.164 0.000 1.070 403 T HN 0.491 nan 8.240 nan 0.000 0.465 404 P HA 0.085 nan 4.420 nan 0.000 0.217 404 P C 0.114 177.275 177.300 -0.232 0.000 1.150 404 P CA 0.419 63.422 63.100 -0.161 0.000 0.832 404 P CB 0.099 31.599 31.700 -0.334 0.000 0.787 405 V N 1.618 121.410 119.914 -0.202 0.000 2.540 405 V HA 0.255 4.376 4.120 0.001 0.000 0.302 405 V C -0.090 175.934 176.094 -0.117 0.000 1.035 405 V CA -0.783 61.411 62.300 -0.176 0.000 0.873 405 V CB 1.745 33.457 31.823 -0.186 0.000 0.992 405 V HN 0.015 nan 8.190 nan 0.000 0.428 406 N N 2.899 121.488 118.700 -0.185 0.000 2.678 406 N HA 0.083 4.824 4.740 0.001 0.000 0.231 406 N C 1.278 176.554 175.510 -0.389 0.000 1.038 406 N CA 0.087 52.974 53.050 -0.271 0.000 0.932 406 N CB 1.652 39.842 38.487 -0.495 0.000 1.176 406 N HN 0.823 nan 8.380 nan 0.000 0.511 407 S N 1.780 117.391 115.700 -0.147 0.000 2.440 407 S HA -0.124 4.347 4.470 0.001 0.000 0.238 407 S C 1.800 176.371 174.600 -0.048 0.000 1.010 407 S CA 0.224 58.377 58.200 -0.078 0.000 0.972 407 S CB -0.397 62.815 63.200 0.020 0.000 0.774 407 S HN 0.793 nan 8.310 nan 0.000 0.501 408 W N 1.100 122.349 121.300 -0.085 0.000 2.363 408 W HA 0.007 4.667 4.660 0.001 0.000 0.296 408 W C 1.640 178.086 176.519 -0.121 0.000 1.212 408 W CA 0.424 57.697 57.345 -0.120 0.000 1.260 408 W CB -0.947 28.214 29.460 -0.499 0.000 1.131 408 W HN 0.374 nan 8.180 nan 0.000 0.530 409 L N 2.800 123.426 121.223 -0.994 0.000 2.072 409 L HA 0.221 4.561 4.340 0.001 0.000 0.205 409 L C 2.640 179.308 176.870 -0.336 0.000 1.079 409 L CA 2.694 57.013 54.840 -0.868 0.000 0.752 409 L CB -1.351 39.949 42.059 -1.264 0.000 0.906 409 L HN 0.028 nan 8.230 nan 0.000 0.436 410 G N -0.513 108.110 108.800 -0.296 0.000 2.418 410 G HA2 -0.302 3.659 3.960 0.001 0.000 0.217 410 G HA3 -0.302 3.659 3.960 0.001 0.000 0.217 410 G C 1.462 176.365 174.900 0.005 0.000 1.158 410 G CA 0.788 45.796 45.100 -0.153 0.000 0.771 410 G HN 0.437 nan 8.290 nan 0.000 0.545 411 N N 0.578 119.349 118.700 0.118 0.000 2.188 411 N HA -0.019 4.722 4.740 0.001 0.000 0.184 411 N C 2.254 177.930 175.510 0.277 0.000 1.018 411 N CA 0.673 53.929 53.050 0.344 0.000 0.858 411 N CB -0.178 38.588 38.487 0.465 0.000 0.989 411 N HN 0.345 nan 8.380 nan 0.000 0.426 412 I N 0.894 121.580 120.570 0.193 0.000 2.226 412 I HA -0.213 3.957 4.170 0.001 0.000 0.245 412 I C 2.006 178.185 176.117 0.102 0.000 1.100 412 I CA 0.831 62.224 61.300 0.155 0.000 1.374 412 I CB -0.152 37.993 38.000 0.241 0.000 1.057 412 I HN 0.041 nan 8.210 nan 0.000 0.413 413 I N 0.004 120.629 120.570 0.092 0.000 2.179 413 I HA -0.301 3.870 4.170 0.001 0.000 0.242 413 I C 2.537 178.745 176.117 0.153 0.000 1.088 413 I CA 1.253 62.633 61.300 0.132 0.000 1.357 413 I CB -0.229 37.825 38.000 0.089 0.000 1.051 413 I HN 0.215 nan 8.210 nan 0.000 0.409 414 M N -0.509 119.090 119.600 -0.002 0.000 2.200 414 M HA -0.076 4.404 4.480 0.001 0.000 0.265 414 M C 1.208 177.248 176.300 -0.433 0.000 1.066 414 M CA 1.752 56.898 55.300 -0.258 0.000 1.127 414 M CB -0.654 31.605 32.600 -0.569 0.000 1.379 414 M HN 0.122 nan 8.290 nan 0.000 0.420 415 F N -0.427 119.511 119.950 -0.020 0.000 2.791 415 F HA 0.434 4.961 4.527 0.001 0.000 0.308 415 F C 1.803 177.341 175.800 -0.437 0.000 1.138 415 F CA -0.373 57.498 58.000 -0.215 0.000 1.294 415 F CB -1.041 37.783 39.000 -0.292 0.000 0.975 415 F HN 0.021 nan 8.300 nan 0.000 0.512 416 A N 1.034 123.666 122.820 -0.314 0.000 1.958 416 A HA -0.158 4.163 4.320 0.001 0.000 0.221 416 A C -0.359 176.965 177.584 -0.434 0.000 1.178 416 A CA 1.833 53.662 52.037 -0.346 0.000 0.642 416 A CB -1.628 17.200 19.000 -0.287 0.000 0.816 416 A HN 0.218 nan 8.150 nan 0.000 0.453 417 P HA 0.012 nan 4.420 nan 0.000 0.233 417 P C 0.683 177.701 177.300 -0.469 0.000 1.167 417 P CA 1.248 64.060 63.100 -0.479 0.000 0.770 417 P CB -0.428 30.984 31.700 -0.480 0.000 0.837 418 T N -2.723 111.558 114.554 -0.455 0.000 2.898 418 T HA 0.105 4.455 4.350 0.001 0.000 0.301 418 T C 1.131 175.451 174.700 -0.633 0.000 1.049 418 T CA -0.631 61.171 62.100 -0.496 0.000 1.095 418 T CB 0.532 68.938 68.868 -0.769 0.000 0.976 418 T HN -0.212 nan 8.240 nan 0.000 0.539 419 L N 1.813 122.592 121.223 -0.739 0.000 2.012 419 L HA 0.015 4.355 4.340 0.001 0.000 0.210 419 L C 2.418 179.003 176.870 -0.475 0.000 1.073 419 L CA 1.709 56.084 54.840 -0.774 0.000 0.748 419 L CB -1.001 40.511 42.059 -0.911 0.000 0.891 419 L HN 0.930 nan 8.230 nan 0.000 0.431 420 W N -1.034 120.061 121.300 -0.340 0.000 2.418 420 W HA 0.076 4.736 4.660 0.001 0.000 0.292 420 W C 1.964 178.352 176.519 -0.217 0.000 1.213 420 W CA 0.818 57.996 57.345 -0.278 0.000 1.283 420 W CB -1.365 27.962 29.460 -0.221 0.000 1.119 420 W HN 0.296 nan 8.180 nan 0.000 0.542 421 A N 1.857 124.219 122.820 -0.764 0.000 1.929 421 A HA -0.098 4.222 4.320 0.001 0.000 0.216 421 A C 2.256 179.693 177.584 -0.245 0.000 1.176 421 A CA 1.536 53.278 52.037 -0.490 0.000 0.628 421 A CB -0.699 17.885 19.000 -0.693 0.000 0.816 421 A HN 0.286 nan 8.150 nan 0.000 0.444 422 R N -0.941 119.344 120.500 -0.357 0.000 2.062 422 R HA 0.034 4.374 4.340 0.001 0.000 0.231 422 R C 2.212 178.337 176.300 -0.291 0.000 1.136 422 R CA 1.756 57.673 56.100 -0.305 0.000 0.948 422 R CB -0.345 29.662 30.300 -0.488 0.000 0.845 422 R HN 0.498 nan 8.270 nan 0.000 0.430 423 M N -0.395 118.895 119.600 -0.517 0.000 2.334 423 M HA 0.020 4.501 4.480 0.001 0.000 0.266 423 M C 1.865 178.048 176.300 -0.194 0.000 1.082 423 M CA 1.356 56.364 55.300 -0.486 0.000 1.141 423 M CB 0.172 32.406 32.600 -0.611 0.000 1.380 423 M HN 0.111 nan 8.290 nan 0.000 0.440 424 I N -0.622 119.709 120.570 -0.398 0.000 2.962 424 I HA -0.089 4.082 4.170 0.001 0.000 0.246 424 I C 2.075 177.984 176.117 -0.347 0.000 1.091 424 I CA 0.324 61.126 61.300 -0.829 0.000 1.469 424 I CB -0.237 37.248 38.000 -0.858 0.000 1.324 424 I HN 0.106 nan 8.210 nan 0.000 0.461 425 L N 0.283 121.487 121.223 -0.032 0.000 2.012 425 L HA -0.231 4.109 4.340 0.001 0.000 0.210 425 L C 2.684 179.802 176.870 0.413 0.000 1.073 425 L CA 1.701 56.698 54.840 0.262 0.000 0.748 425 L CB -0.488 41.799 42.059 0.380 0.000 0.891 425 L HN 0.300 nan 8.230 nan 0.000 0.431 426 M N -0.905 118.921 119.600 0.377 0.000 2.067 426 M HA -0.183 4.297 4.480 0.001 0.000 0.260 426 M C 2.359 179.125 176.300 0.777 0.000 1.069 426 M CA 2.110 57.746 55.300 0.561 0.000 1.117 426 M CB -0.670 32.122 32.600 0.320 0.000 1.334 426 M HN 0.252 nan 8.290 nan 0.000 0.407 427 T N -0.968 114.032 114.554 0.745 0.000 2.684 427 T HA -0.238 4.113 4.350 0.001 0.000 0.267 427 T C 1.747 176.748 174.700 0.503 0.000 1.036 427 T CA 1.609 64.137 62.100 0.712 0.000 1.148 427 T CB -0.686 68.644 68.868 0.769 0.000 0.863 427 T HN 0.479 nan 8.240 nan 0.000 0.436 428 H N -0.055 119.191 119.070 0.293 0.000 2.293 428 H HA -0.076 4.481 4.556 0.001 0.000 0.300 428 H C 2.051 177.289 175.328 -0.151 0.000 1.082 428 H CA 1.629 57.730 56.048 0.088 0.000 1.308 428 H CB -0.296 29.355 29.762 -0.185 0.000 1.375 428 H HN 0.356 nan 8.280 nan 0.000 0.495 429 F N -0.210 119.681 119.950 -0.098 0.000 2.206 429 F HA -0.056 4.471 4.527 0.001 0.000 0.298 429 F C 2.421 178.053 175.800 -0.281 0.000 1.090 429 F CA 0.575 58.292 58.000 -0.471 0.000 1.323 429 F CB -0.678 37.730 39.000 -0.987 0.000 1.028 429 F HN 0.089 nan 8.300 nan 0.000 0.492 430 F N -0.627 119.429 119.950 0.178 0.000 2.293 430 F HA -0.184 4.344 4.527 0.001 0.000 0.300 430 F C 2.719 178.551 175.800 0.053 0.000 1.086 430 F CA 1.453 59.562 58.000 0.182 0.000 1.375 430 F CB -0.796 38.407 39.000 0.337 0.000 1.045 430 F HN -0.083 nan 8.300 nan 0.000 0.516 431 S N -0.309 115.477 115.700 0.143 0.000 2.355 431 S HA -0.130 4.340 4.470 0.001 0.000 0.222 431 S C 2.212 176.769 174.600 -0.071 0.000 1.031 431 S CA 1.425 59.634 58.200 0.015 0.000 0.993 431 S CB -0.548 62.650 63.200 -0.002 0.000 0.859 431 S HN 0.086 nan 8.310 nan 0.000 0.453 432 V N 2.321 122.112 119.914 -0.205 0.000 2.343 432 V HA -0.120 4.001 4.120 0.001 0.000 0.247 432 V C 2.444 178.486 176.094 -0.087 0.000 1.051 432 V CA 1.743 63.913 62.300 -0.217 0.000 1.036 432 V CB -0.694 30.889 31.823 -0.400 0.000 0.654 432 V HN 0.481 nan 8.190 nan 0.000 0.451 433 L N -0.694 120.493 121.223 -0.059 0.000 2.046 433 L HA -0.195 4.145 4.340 0.001 0.000 0.208 433 L C 2.371 179.256 176.870 0.025 0.000 1.077 433 L CA 1.756 56.592 54.840 -0.008 0.000 0.747 433 L CB -0.540 41.494 42.059 -0.041 0.000 0.896 433 L HN 0.285 nan 8.230 nan 0.000 0.432 434 I N 0.019 120.615 120.570 0.044 0.000 2.179 434 I HA -0.263 3.908 4.170 0.001 0.000 0.242 434 I C 2.799 178.928 176.117 0.020 0.000 1.088 434 I CA 1.226 62.556 61.300 0.049 0.000 1.357 434 I CB -0.484 37.551 38.000 0.059 0.000 1.051 434 I HN 0.175 nan 8.210 nan 0.000 0.409 435 A N 0.682 123.501 122.820 -0.001 0.000 1.972 435 A HA -0.141 4.179 4.320 0.001 0.000 0.219 435 A C 2.247 179.829 177.584 -0.003 0.000 1.169 435 A CA 1.384 53.415 52.037 -0.010 0.000 0.635 435 A CB -0.453 18.530 19.000 -0.029 0.000 0.810 435 A HN 0.377 nan 8.150 nan 0.000 0.446 436 R N -1.252 119.249 120.500 0.001 0.000 2.359 436 R HA 0.085 4.426 4.340 0.001 0.000 0.231 436 R C -0.099 176.213 176.300 0.021 0.000 0.913 436 R CA 0.443 56.549 56.100 0.011 0.000 1.075 436 R CB 0.110 30.420 30.300 0.016 0.000 1.087 436 R HN 0.390 nan 8.270 nan 0.000 0.515 437 D N 1.496 121.910 120.400 0.024 0.000 2.751 437 D HA -0.197 4.444 4.640 0.001 0.000 0.233 437 D C -0.308 176.015 176.300 0.038 0.000 1.149 437 D CA 1.030 55.048 54.000 0.031 0.000 0.682 437 D CB -0.707 40.107 40.800 0.024 0.000 1.068 437 D HN 0.375 nan 8.370 nan 0.000 0.429 438 Q N -0.622 119.203 119.800 0.043 0.000 2.165 438 Q HA 0.223 4.564 4.340 0.001 0.000 0.245 438 Q C 1.610 177.645 176.000 0.058 0.000 0.841 438 Q CA -0.463 55.371 55.803 0.051 0.000 1.078 438 Q CB 0.557 29.330 28.738 0.059 0.000 1.169 438 Q HN 0.307 nan 8.270 nan 0.000 0.475 439 L N 1.146 122.407 121.223 0.064 0.000 2.083 439 L HA -0.158 4.182 4.340 0.001 0.000 0.209 439 L C 1.719 178.639 176.870 0.084 0.000 1.083 439 L CA 1.862 56.751 54.840 0.081 0.000 0.752 439 L CB 0.180 42.310 42.059 0.119 0.000 0.899 439 L HN 0.216 nan 8.230 nan 0.000 0.433 440 E N -0.852 119.392 120.200 0.073 0.000 2.489 440 E HA -0.068 4.282 4.350 0.001 0.000 0.193 440 E C 0.502 177.138 176.600 0.060 0.000 1.057 440 E CA -0.029 56.412 56.400 0.069 0.000 0.866 440 E CB 0.015 29.750 29.700 0.059 0.000 0.916 440 E HN 0.548 nan 8.360 nan 0.000 0.500 441 Q N 1.426 121.261 119.800 0.058 0.000 2.337 441 Q HA 0.375 4.715 4.340 0.001 0.000 0.255 441 Q C -0.637 175.393 176.000 0.050 0.000 0.997 441 Q CA -0.393 55.442 55.803 0.052 0.000 0.925 441 Q CB 0.883 29.653 28.738 0.054 0.000 1.212 441 Q HN 0.085 nan 8.270 nan 0.000 0.436 442 A N 4.614 127.460 122.820 0.044 0.000 2.483 442 A HA 0.323 4.644 4.320 0.001 0.000 0.238 442 A C -0.668 176.928 177.584 0.021 0.000 1.070 442 A CA 0.114 52.172 52.037 0.034 0.000 0.770 442 A CB 0.260 19.286 19.000 0.043 0.000 1.008 442 A HN 0.815 nan 8.150 nan 0.000 0.497 443 L N 1.749 122.962 121.223 -0.016 0.000 2.354 443 L HA 0.375 4.715 4.340 0.001 0.000 0.264 443 L C -0.447 176.381 176.870 -0.069 0.000 1.008 443 L CA -1.062 53.749 54.840 -0.048 0.000 0.819 443 L CB 1.895 43.884 42.059 -0.115 0.000 1.339 443 L HN 0.621 nan 8.230 nan 0.000 0.420 444 N N 1.471 120.139 118.700 -0.053 0.000 2.444 444 N HA 0.434 5.174 4.740 0.001 0.000 0.271 444 N C -0.689 174.739 175.510 -0.137 0.000 1.069 444 N CA -0.291 52.735 53.050 -0.041 0.000 0.965 444 N CB 1.342 39.851 38.487 0.038 0.000 1.092 444 N HN 0.668 nan 8.380 nan 0.000 0.476 445 C N 0.033 119.240 119.300 -0.154 0.000 3.080 445 C HA 0.620 5.080 4.460 0.001 0.000 0.307 445 C C -0.301 174.607 174.990 -0.137 0.000 1.311 445 C CA -0.989 57.907 59.018 -0.203 0.000 1.533 445 C CB 1.290 28.838 27.740 -0.320 0.000 1.970 445 C HN 0.610 nan 8.230 nan 0.000 0.467 446 E N 0.531 120.657 120.200 -0.124 0.000 2.179 446 E HA 0.716 5.066 4.350 0.001 0.000 0.275 446 E C -1.120 175.426 176.600 -0.090 0.000 0.945 446 E CA -0.358 55.998 56.400 -0.073 0.000 0.792 446 E CB 1.887 31.562 29.700 -0.041 0.000 1.125 446 E HN 0.615 nan 8.360 nan 0.000 0.397 447 I N 3.228 123.757 120.570 -0.068 0.000 2.478 447 I HA 0.150 4.321 4.170 0.001 0.000 0.287 447 I C -0.898 175.213 176.117 -0.010 0.000 1.042 447 I CA -0.883 60.302 61.300 -0.192 0.000 1.067 447 I CB 0.980 38.605 38.000 -0.625 0.000 1.233 447 I HN 0.608 nan 8.210 nan 0.000 0.431 448 Y N 5.081 125.394 120.300 0.022 0.000 3.491 448 Y HA -0.259 4.291 4.550 0.001 0.000 0.215 448 Y C 1.485 177.320 175.900 -0.109 0.000 1.219 448 Y CA 1.099 59.167 58.100 -0.053 0.000 1.485 448 Y CB -2.030 36.370 38.460 -0.100 0.000 1.450 448 Y HN 1.000 nan 8.280 nan 0.000 0.603 449 G N -2.231 106.630 108.800 0.102 0.000 2.225 449 G HA2 -0.019 3.941 3.960 0.001 0.000 0.254 449 G HA3 -0.019 3.941 3.960 0.001 0.000 0.254 449 G C 0.445 175.348 174.900 0.005 0.000 0.988 449 G CA 0.171 45.298 45.100 0.046 0.000 0.625 449 G HN 1.553 nan 8.290 nan 0.000 0.527 450 A N -0.554 122.252 122.820 -0.024 0.000 2.304 450 A HA 0.653 4.973 4.320 0.001 0.000 0.301 450 A C 0.625 177.971 177.584 -0.396 0.000 1.132 450 A CA 0.409 52.252 52.037 -0.324 0.000 0.819 450 A CB 1.020 19.692 19.000 -0.548 0.000 1.094 450 A HN 1.539 nan 8.150 nan 0.000 0.492 451 C N 2.573 121.570 119.300 -0.506 0.000 2.369 451 C HA 0.763 5.223 4.460 0.001 0.000 0.358 451 C C -0.908 173.627 174.990 -0.758 0.000 1.274 451 C CA -0.466 58.340 59.018 -0.353 0.000 1.935 451 C CB -1.414 26.337 27.740 0.017 0.000 2.431 451 C HN 0.657 nan 8.230 nan 0.000 0.545 452 Y N 2.652 122.730 120.300 -0.371 0.000 2.524 452 Y HA 0.479 5.029 4.550 0.001 0.000 0.344 452 Y C 0.420 176.159 175.900 -0.269 0.000 1.012 452 Y CA -0.478 57.358 58.100 -0.440 0.000 1.068 452 Y CB 1.749 39.865 38.460 -0.574 0.000 1.249 452 Y HN 0.568 nan 8.280 nan 0.000 0.468 453 S N 3.137 118.811 115.700 -0.043 0.000 2.422 453 S HA 0.672 5.143 4.470 0.001 0.000 0.308 453 S C -0.974 173.645 174.600 0.032 0.000 1.097 453 S CA -0.342 57.875 58.200 0.027 0.000 1.099 453 S CB -0.457 62.798 63.200 0.092 0.000 0.976 453 S HN 0.515 nan 8.310 nan 0.000 0.471 454 I N 3.918 124.482 120.570 -0.010 0.000 2.545 454 I HA 0.366 4.537 4.170 0.001 0.000 0.292 454 I C -0.302 175.819 176.117 0.007 0.000 1.040 454 I CA -0.707 60.596 61.300 0.006 0.000 1.068 454 I CB 2.280 40.239 38.000 -0.067 0.000 1.251 454 I HN 0.549 nan 8.210 nan 0.000 0.424 455 E N 6.875 127.106 120.200 0.052 0.000 2.167 455 E HA 0.195 4.546 4.350 0.001 0.000 0.284 455 E C -1.829 174.817 176.600 0.076 0.000 1.016 455 E CA -1.569 54.866 56.400 0.059 0.000 0.817 455 E CB 1.257 31.001 29.700 0.073 0.000 1.080 455 E HN 0.319 nan 8.360 nan 0.000 0.397 456 P HA -0.179 nan 4.420 nan 0.000 0.217 456 P C 0.940 178.381 177.300 0.235 0.000 1.148 456 P CA 1.080 64.236 63.100 0.093 0.000 0.828 456 P CB 0.233 31.929 31.700 -0.007 0.000 0.783 457 L N -0.894 120.455 121.223 0.210 0.000 2.456 457 L HA -0.115 4.226 4.340 0.001 0.000 0.224 457 L C 1.183 178.165 176.870 0.186 0.000 1.148 457 L CA 1.108 56.096 54.840 0.247 0.000 0.825 457 L CB -0.584 41.580 42.059 0.176 0.000 0.937 457 L HN -0.025 nan 8.230 nan 0.000 0.450 458 D N -0.761 119.733 120.400 0.156 0.000 2.339 458 D HA -0.016 4.624 4.640 0.001 0.000 0.217 458 D C 2.036 178.420 176.300 0.140 0.000 1.050 458 D CA 0.059 54.129 54.000 0.117 0.000 0.856 458 D CB 0.504 41.361 40.800 0.095 0.000 0.922 458 D HN 0.100 nan 8.370 nan 0.000 0.518 459 L N 1.385 122.733 121.223 0.208 0.000 2.013 459 L HA -0.119 4.222 4.340 0.001 0.000 0.212 459 L C -0.583 176.413 176.870 0.210 0.000 1.073 459 L CA 2.062 57.044 54.840 0.237 0.000 0.753 459 L CB -1.845 40.425 42.059 0.351 0.000 0.890 459 L HN 0.035 nan 8.230 nan 0.000 0.432 460 P HA -0.113 nan 4.420 nan 0.000 0.214 460 P C -1.290 176.081 177.300 0.118 0.000 1.163 460 P CA 1.916 65.076 63.100 0.100 0.000 0.883 460 P CB -1.188 30.413 31.700 -0.165 0.000 0.788 461 P HA -0.102 nan 4.420 nan 0.000 0.218 461 P C 1.675 178.987 177.300 0.020 0.000 1.149 461 P CA 1.314 64.410 63.100 -0.007 0.000 0.817 461 P CB -0.505 31.168 31.700 -0.045 0.000 0.785 462 I N -0.560 120.038 120.570 0.047 0.000 2.163 462 I HA -0.245 3.925 4.170 0.001 0.000 0.243 462 I C 2.535 178.691 176.117 0.065 0.000 1.085 462 I CA 1.543 62.864 61.300 0.035 0.000 1.347 462 I CB -0.593 37.485 38.000 0.130 0.000 1.044 462 I HN -0.160 nan 8.210 nan 0.000 0.408 463 I N 0.179 120.839 120.570 0.151 0.000 2.226 463 I HA -0.330 3.840 4.170 0.001 0.000 0.245 463 I C 2.721 178.854 176.117 0.027 0.000 1.100 463 I CA 1.400 62.791 61.300 0.152 0.000 1.374 463 I CB -0.408 37.690 38.000 0.163 0.000 1.057 463 I HN 0.372 nan 8.210 nan 0.000 0.413 464 Q N 1.096 120.947 119.800 0.084 0.000 2.084 464 Q HA -0.286 4.055 4.340 0.001 0.000 0.202 464 Q C 2.325 178.312 176.000 -0.022 0.000 0.978 464 Q CA 1.720 57.551 55.803 0.047 0.000 0.844 464 Q CB -0.034 28.794 28.738 0.151 0.000 0.898 464 Q HN 0.236 nan 8.270 nan 0.000 0.426 465 R N 0.260 120.735 120.500 -0.042 0.000 2.081 465 R HA -0.070 4.270 4.340 0.001 0.000 0.235 465 R C 2.051 178.270 176.300 -0.135 0.000 1.131 465 R CA 1.507 57.554 56.100 -0.088 0.000 0.960 465 R CB -0.381 29.847 30.300 -0.120 0.000 0.856 465 R HN 0.384 nan 8.270 nan 0.000 0.436 466 L N -1.410 119.698 121.223 -0.192 0.000 2.162 466 L HA -0.016 4.325 4.340 0.001 0.000 0.205 466 L C 1.655 178.218 176.870 -0.512 0.000 1.086 466 L CA 0.874 55.480 54.840 -0.390 0.000 0.778 466 L CB -0.207 41.534 42.059 -0.531 0.000 0.928 466 L HN 0.366 nan 8.230 nan 0.000 0.446 467 H N -1.048 117.949 119.070 -0.123 0.000 2.986 467 H HA 0.317 4.873 4.556 0.001 0.000 0.267 467 H C 0.845 176.088 175.328 -0.142 0.000 1.072 467 H CA 0.731 56.694 56.048 -0.142 0.000 1.202 467 H CB 0.961 30.610 29.762 -0.189 0.000 1.535 467 H HN 0.274 nan 8.280 nan 0.000 0.522 468 G N 0.995 109.770 108.800 -0.043 0.000 2.781 468 G HA2 -0.233 3.728 3.960 0.001 0.000 0.683 468 G HA3 -0.233 3.728 3.960 0.001 0.000 0.683 468 G C 0.648 175.501 174.900 -0.078 0.000 1.390 468 G CA -0.177 44.901 45.100 -0.037 0.000 0.850 468 G HN 0.238 nan 8.290 nan 0.000 0.557 469 L N 1.054 122.288 121.223 0.019 0.000 2.275 469 L HA -0.076 4.264 4.340 0.001 0.000 0.215 469 L C 3.170 180.075 176.870 0.058 0.000 1.119 469 L CA 2.049 56.966 54.840 0.128 0.000 0.790 469 L CB -0.431 41.759 42.059 0.219 0.000 0.919 469 L HN 0.928 nan 8.230 nan 0.000 0.443 470 S N -0.074 115.622 115.700 -0.007 0.000 2.442 470 S HA -0.169 4.302 4.470 0.001 0.000 0.236 470 S C 2.099 176.637 174.600 -0.104 0.000 1.007 470 S CA 0.799 58.987 58.200 -0.020 0.000 0.965 470 S CB -0.327 62.858 63.200 -0.026 0.000 0.773 470 S HN 0.368 nan 8.310 nan 0.000 0.504 471 A N 0.775 123.441 122.820 -0.258 0.000 2.070 471 A HA 0.131 4.452 4.320 0.001 0.000 0.220 471 A C 1.489 178.878 177.584 -0.325 0.000 1.159 471 A CA 1.033 52.838 52.037 -0.386 0.000 0.656 471 A CB -0.868 17.811 19.000 -0.534 0.000 0.800 471 A HN 0.605 nan 8.150 nan 0.000 0.453 472 F N 0.034 120.012 119.950 0.047 0.000 2.765 472 F HA 0.132 4.659 4.527 0.001 0.000 0.302 472 F C 1.577 177.432 175.800 0.091 0.000 1.111 472 F CA 0.588 58.639 58.000 0.084 0.000 1.359 472 F CB 0.079 39.158 39.000 0.133 0.000 1.097 472 F HN 0.239 nan 8.300 nan 0.000 0.577 473 S N -1.471 114.335 115.700 0.177 0.000 3.053 473 S HA 0.316 4.786 4.470 0.001 0.000 0.255 473 S C -0.087 174.585 174.600 0.120 0.000 0.976 473 S CA -0.429 57.865 58.200 0.157 0.000 1.159 473 S CB -0.735 62.549 63.200 0.140 0.000 1.110 473 S HN 0.040 nan 8.310 nan 0.000 0.633 474 L N 4.293 125.527 121.223 0.018 0.000 2.456 474 L HA 0.436 4.777 4.340 0.001 0.000 0.272 474 L C 0.837 177.675 176.870 -0.052 0.000 1.189 474 L CA 0.035 54.800 54.840 -0.126 0.000 0.846 474 L CB 0.183 42.014 42.059 -0.380 0.000 1.111 474 L HN 0.583 nan 8.230 nan 0.000 0.475 475 H N -0.256 118.656 119.070 -0.264 0.000 2.933 475 H HA 0.253 4.809 4.556 0.001 0.000 0.310 475 H C -0.404 174.821 175.328 -0.172 0.000 1.351 475 H CA -0.886 55.074 56.048 -0.147 0.000 1.137 475 H CB 1.373 31.139 29.762 0.007 0.000 1.853 475 H HN 0.463 nan 8.280 nan 0.000 0.539 476 S N 0.054 115.738 115.700 -0.026 0.000 3.527 476 S HA -0.210 4.260 4.470 0.001 0.000 0.409 476 S C -0.523 174.082 174.600 0.008 0.000 0.900 476 S CA 0.487 58.684 58.200 -0.006 0.000 1.320 476 S CB -2.424 60.679 63.200 -0.161 0.000 0.915 476 S HN 0.469 nan 8.310 nan 0.000 0.575 477 Y N 1.583 121.919 120.300 0.060 0.000 2.296 477 Y HA 0.342 4.892 4.550 0.001 0.000 0.343 477 Y C 1.417 177.363 175.900 0.076 0.000 1.292 477 Y CA 0.317 58.458 58.100 0.068 0.000 1.490 477 Y CB 0.408 38.904 38.460 0.060 0.000 1.359 477 Y HN 0.547 nan 8.280 nan 0.000 0.599 478 S N 0.923 116.769 115.700 0.243 0.000 2.585 478 S HA 0.142 4.612 4.470 0.001 0.000 0.273 478 S C -2.060 172.612 174.600 0.120 0.000 1.339 478 S CA -1.109 57.172 58.200 0.134 0.000 1.028 478 S CB 1.202 64.450 63.200 0.080 0.000 0.906 478 S HN 0.415 nan 8.310 nan 0.000 0.528 479 P HA 0.020 nan 4.420 nan 0.000 0.216 479 P C 1.661 178.994 177.300 0.054 0.000 1.150 479 P CA 1.569 64.708 63.100 0.065 0.000 0.837 479 P CB -0.418 31.312 31.700 0.049 0.000 0.786 480 G N -0.138 108.690 108.800 0.046 0.000 2.402 480 G HA2 -0.251 3.709 3.960 0.001 0.000 0.216 480 G HA3 -0.251 3.709 3.960 0.001 0.000 0.216 480 G C 1.665 176.585 174.900 0.035 0.000 1.162 480 G CA 0.714 45.833 45.100 0.030 0.000 0.777 480 G HN 0.253 nan 8.290 nan 0.000 0.539 481 E N 0.674 120.912 120.200 0.064 0.000 2.047 481 E HA -0.027 4.323 4.350 0.001 0.000 0.191 481 E C 2.419 179.053 176.600 0.057 0.000 0.987 481 E CA 0.686 57.135 56.400 0.082 0.000 0.799 481 E CB -0.388 29.416 29.700 0.174 0.000 0.752 481 E HN 0.474 nan 8.360 nan 0.000 0.449 482 I N 0.886 121.496 120.570 0.068 0.000 2.163 482 I HA -0.310 3.860 4.170 0.001 0.000 0.243 482 I C 1.859 177.989 176.117 0.022 0.000 1.085 482 I CA 1.214 62.538 61.300 0.041 0.000 1.347 482 I CB -0.406 37.634 38.000 0.066 0.000 1.044 482 I HN 0.169 nan 8.210 nan 0.000 0.408 483 N N 0.560 119.274 118.700 0.025 0.000 2.188 483 N HA -0.183 4.557 4.740 0.001 0.000 0.184 483 N C 1.869 177.376 175.510 -0.005 0.000 1.018 483 N CA 1.058 54.116 53.050 0.013 0.000 0.858 483 N CB -0.416 38.080 38.487 0.016 0.000 0.989 483 N HN 0.340 nan 8.380 nan 0.000 0.426 484 R N 0.839 121.331 120.500 -0.013 0.000 2.075 484 R HA -0.021 4.319 4.340 0.001 0.000 0.232 484 R C 1.818 178.076 176.300 -0.070 0.000 1.126 484 R CA 0.947 57.021 56.100 -0.043 0.000 0.963 484 R CB -0.193 30.076 30.300 -0.052 0.000 0.858 484 R HN -0.054 nan 8.270 nan 0.000 0.435 485 V N 1.253 121.131 119.914 -0.060 0.000 2.295 485 V HA -0.249 3.871 4.120 0.001 0.000 0.246 485 V C 2.519 178.584 176.094 -0.047 0.000 1.049 485 V CA 1.996 64.251 62.300 -0.076 0.000 1.024 485 V CB -0.853 30.950 31.823 -0.035 0.000 0.648 485 V HN 0.578 nan 8.190 nan 0.000 0.447 486 A N -0.034 122.775 122.820 -0.019 0.000 1.908 486 A HA -0.165 4.156 4.320 0.001 0.000 0.218 486 A C 2.408 179.990 177.584 -0.005 0.000 1.181 486 A CA 2.265 54.302 52.037 -0.001 0.000 0.627 486 A CB -0.787 18.220 19.000 0.012 0.000 0.818 486 A HN 0.600 nan 8.150 nan 0.000 0.445 487 A N -1.243 121.568 122.820 -0.015 0.000 1.930 487 A HA -0.174 4.147 4.320 0.001 0.000 0.217 487 A C 2.397 179.969 177.584 -0.020 0.000 1.175 487 A CA 1.634 53.664 52.037 -0.012 0.000 0.627 487 A CB -1.356 17.634 19.000 -0.017 0.000 0.815 487 A HN 0.847 nan 8.150 nan 0.000 0.443 488 C N -0.243 119.028 119.300 -0.049 0.000 2.453 488 C HA -0.014 4.447 4.460 0.001 0.000 0.277 488 C C 2.613 177.580 174.990 -0.038 0.000 1.262 488 C CA 1.118 60.098 59.018 -0.064 0.000 1.718 488 C CB -1.524 26.134 27.740 -0.137 0.000 2.031 488 C HN 0.577 nan 8.230 nan 0.000 0.480 489 L N 0.656 121.861 121.223 -0.029 0.000 2.046 489 L HA -0.130 4.211 4.340 0.001 0.000 0.208 489 L C 2.957 179.826 176.870 -0.003 0.000 1.077 489 L CA 2.062 56.900 54.840 -0.003 0.000 0.747 489 L CB -1.015 41.062 42.059 0.030 0.000 0.896 489 L HN 0.422 nan 8.230 nan 0.000 0.432 490 R N 1.089 121.596 120.500 0.012 0.000 2.081 490 R HA -0.220 4.120 4.340 0.001 0.000 0.235 490 R C 2.391 178.731 176.300 0.067 0.000 1.131 490 R CA 1.800 57.918 56.100 0.031 0.000 0.960 490 R CB -0.118 30.203 30.300 0.036 0.000 0.856 490 R HN 0.217 nan 8.270 nan 0.000 0.436 491 K N 0.380 120.816 120.400 0.060 0.000 2.032 491 K HA -0.120 4.200 4.320 0.001 0.000 0.209 491 K C 1.847 178.564 176.600 0.196 0.000 1.048 491 K CA 1.549 57.899 56.287 0.105 0.000 0.927 491 K CB -0.033 32.498 32.500 0.053 0.000 0.712 491 K HN 0.268 nan 8.250 nan 0.000 0.441 492 L N -0.440 120.826 121.223 0.072 0.000 2.529 492 L HA 0.162 4.502 4.340 0.001 0.000 0.223 492 L C 0.831 177.535 176.870 -0.276 0.000 1.113 492 L CA 0.371 55.231 54.840 0.033 0.000 0.861 492 L CB 0.224 42.288 42.059 0.007 0.000 1.012 492 L HN 0.579 nan 8.230 nan 0.000 0.461 493 G N 1.134 109.653 108.800 -0.468 0.000 2.256 493 G HA2 -0.225 3.735 3.960 0.001 0.000 0.272 493 G HA3 -0.225 3.735 3.960 0.001 0.000 0.272 493 G C -0.033 174.713 174.900 -0.256 0.000 1.076 493 G CA -0.005 44.675 45.100 -0.699 0.000 0.882 493 G HN 0.091 nan 8.290 nan 0.000 0.497 494 V N 0.913 120.773 119.914 -0.090 0.000 2.498 494 V HA 0.381 4.502 4.120 0.001 0.000 0.279 494 V C -1.119 175.047 176.094 0.120 0.000 1.048 494 V CA -1.462 60.876 62.300 0.064 0.000 0.967 494 V CB 1.400 33.287 31.823 0.106 0.000 0.988 494 V HN 0.210 nan 8.190 nan 0.000 0.473 495 P HA 0.115 nan 4.420 nan 0.000 0.266 495 P C -2.462 174.973 177.300 0.225 0.000 1.193 495 P CA -0.681 62.458 63.100 0.065 0.000 0.770 495 P CB -0.194 31.383 31.700 -0.206 0.000 0.836 496 P HA 0.064 nan 4.420 nan 0.000 0.272 496 P C 0.869 178.352 177.300 0.305 0.000 1.230 496 P CA 0.004 63.208 63.100 0.174 0.000 0.788 496 P CB 0.654 32.407 31.700 0.089 0.000 0.949 497 L N 0.758 122.152 121.223 0.286 0.000 2.127 497 L HA -0.202 4.139 4.340 0.001 0.000 0.211 497 L C 2.831 179.896 176.870 0.326 0.000 1.089 497 L CA 1.703 56.745 54.840 0.336 0.000 0.757 497 L CB -0.799 41.354 42.059 0.157 0.000 0.899 497 L HN 0.487 nan 8.230 nan 0.000 0.434 498 R N 0.842 121.470 120.500 0.214 0.000 2.096 498 R HA -0.129 4.211 4.340 0.001 0.000 0.235 498 R C 2.236 178.634 176.300 0.162 0.000 1.127 498 R CA 1.337 57.547 56.100 0.183 0.000 0.968 498 R CB -0.695 29.673 30.300 0.114 0.000 0.861 498 R HN 0.225 nan 8.270 nan 0.000 0.440 499 A N 1.028 123.895 122.820 0.077 0.000 1.933 499 A HA -0.106 4.215 4.320 0.001 0.000 0.218 499 A C 1.744 179.284 177.584 -0.074 0.000 1.175 499 A CA 1.083 53.075 52.037 -0.075 0.000 0.628 499 A CB -0.907 17.945 19.000 -0.247 0.000 0.814 499 A HN 0.588 nan 8.150 nan 0.000 0.444 500 W N -0.406 120.998 121.300 0.174 0.000 2.388 500 W HA -0.026 4.634 4.660 0.001 0.000 0.294 500 W C 2.501 179.227 176.519 0.345 0.000 1.212 500 W CA 1.221 58.713 57.345 0.245 0.000 1.271 500 W CB -0.164 29.440 29.460 0.239 0.000 1.126 500 W HN 0.278 nan 8.180 nan 0.000 0.535 501 R N -0.128 120.714 120.500 0.569 0.000 2.096 501 R HA -0.254 4.086 4.340 0.001 0.000 0.240 501 R C 2.370 178.783 176.300 0.187 0.000 1.139 501 R CA 2.070 58.443 56.100 0.454 0.000 0.952 501 R CB -1.017 29.526 30.300 0.404 0.000 0.854 501 R HN 0.277 nan 8.270 nan 0.000 0.436 502 H N 0.583 119.702 119.070 0.082 0.000 2.290 502 H HA -0.118 4.439 4.556 0.001 0.000 0.298 502 H C 2.047 177.353 175.328 -0.037 0.000 1.087 502 H CA 2.147 58.193 56.048 -0.004 0.000 1.291 502 H CB 0.072 29.818 29.762 -0.027 0.000 1.369 502 H HN 0.217 nan 8.280 nan 0.000 0.492 503 R N 0.106 120.654 120.500 0.079 0.000 2.091 503 R HA -0.114 4.227 4.340 0.001 0.000 0.238 503 R C 2.664 178.914 176.300 -0.083 0.000 1.136 503 R CA 1.201 57.302 56.100 0.003 0.000 0.959 503 R CB -0.339 29.986 30.300 0.041 0.000 0.856 503 R HN 0.328 nan 8.270 nan 0.000 0.437 504 A N 1.239 124.048 122.820 -0.019 0.000 1.940 504 A HA -0.202 4.119 4.320 0.001 0.000 0.219 504 A C 2.079 179.384 177.584 -0.465 0.000 1.176 504 A CA 1.419 53.301 52.037 -0.258 0.000 0.631 504 A CB -0.377 18.527 19.000 -0.159 0.000 0.814 504 A HN 0.254 nan 8.150 nan 0.000 0.446 505 R N -0.807 119.482 120.500 -0.352 0.000 2.092 505 R HA -0.071 4.269 4.340 0.001 0.000 0.231 505 R C 2.620 178.725 176.300 -0.324 0.000 1.119 505 R CA 1.331 57.226 56.100 -0.342 0.000 0.970 505 R CB -0.384 29.740 30.300 -0.294 0.000 0.864 505 R HN 0.552 nan 8.270 nan 0.000 0.440 506 S N 0.310 115.814 115.700 -0.326 0.000 2.345 506 S HA -0.097 4.374 4.470 0.001 0.000 0.220 506 S C 2.049 176.507 174.600 -0.236 0.000 1.031 506 S CA 1.186 59.234 58.200 -0.254 0.000 0.996 506 S CB -0.145 62.924 63.200 -0.219 0.000 0.882 506 S HN 0.105 nan 8.310 nan 0.000 0.445 507 V N 2.663 122.403 119.914 -0.290 0.000 2.287 507 V HA -0.180 3.940 4.120 0.001 0.000 0.248 507 V C 2.730 178.592 176.094 -0.386 0.000 1.053 507 V CA 2.340 64.448 62.300 -0.320 0.000 1.027 507 V CB -0.843 30.718 31.823 -0.436 0.000 0.646 507 V HN 0.513 nan 8.190 nan 0.000 0.447 508 R N 0.139 120.317 120.500 -0.536 0.000 2.083 508 R HA -0.201 4.139 4.340 0.001 0.000 0.237 508 R C 2.282 178.463 176.300 -0.198 0.000 1.137 508 R CA 1.862 57.736 56.100 -0.377 0.000 0.951 508 R CB -0.460 29.634 30.300 -0.343 0.000 0.851 508 R HN 0.491 nan 8.270 nan 0.000 0.434 509 A N 1.180 123.887 122.820 -0.189 0.000 1.877 509 A HA -0.159 4.161 4.320 0.001 0.000 0.216 509 A C 2.185 179.715 177.584 -0.091 0.000 1.186 509 A CA 1.488 53.449 52.037 -0.126 0.000 0.620 509 A CB -0.440 18.484 19.000 -0.126 0.000 0.822 509 A HN 0.401 nan 8.150 nan 0.000 0.443 510 R N -0.451 119.993 120.500 -0.094 0.000 2.081 510 R HA -0.056 4.285 4.340 0.001 0.000 0.235 510 R C 2.058 178.343 176.300 -0.025 0.000 1.131 510 R CA 1.449 57.518 56.100 -0.052 0.000 0.960 510 R CB -0.590 29.683 30.300 -0.047 0.000 0.856 510 R HN 0.488 nan 8.270 nan 0.000 0.436 511 L N 0.628 121.831 121.223 -0.032 0.000 2.017 511 L HA -0.186 4.155 4.340 0.001 0.000 0.208 511 L C 2.434 179.307 176.870 0.005 0.000 1.073 511 L CA 1.232 56.078 54.840 0.010 0.000 0.745 511 L CB -0.435 41.627 42.059 0.005 0.000 0.894 511 L HN 0.201 nan 8.230 nan 0.000 0.432 512 L N -0.307 120.903 121.223 -0.023 0.000 2.079 512 L HA -0.211 4.130 4.340 0.001 0.000 0.210 512 L C 2.781 179.644 176.870 -0.011 0.000 1.081 512 L CA 1.568 56.397 54.840 -0.019 0.000 0.752 512 L CB -0.559 41.475 42.059 -0.041 0.000 0.896 512 L HN 0.424 nan 8.230 nan 0.000 0.433 513 S N -0.599 115.092 115.700 -0.015 0.000 2.481 513 S HA -0.120 4.351 4.470 0.001 0.000 0.231 513 S C 1.868 176.470 174.600 0.003 0.000 0.996 513 S CA 0.430 58.624 58.200 -0.010 0.000 0.942 513 S CB -0.257 62.933 63.200 -0.016 0.000 0.768 513 S HN 0.421 nan 8.310 nan 0.000 0.520 514 R N 1.174 121.682 120.500 0.014 0.000 2.297 514 R HA 0.307 4.648 4.340 0.001 0.000 0.197 514 R C 1.519 177.835 176.300 0.027 0.000 0.943 514 R CA 0.317 56.432 56.100 0.025 0.000 1.038 514 R CB -0.508 29.817 30.300 0.042 0.000 0.957 514 R HN 0.539 nan 8.270 nan 0.000 0.484 515 G N 0.421 109.234 108.800 0.022 0.000 2.740 515 G HA2 -0.166 3.794 3.960 0.001 0.000 0.250 515 G HA3 -0.166 3.794 3.960 0.001 0.000 0.250 515 G C 0.519 175.439 174.900 0.033 0.000 1.358 515 G CA -0.297 44.816 45.100 0.023 0.000 0.897 515 G HN 0.610 nan 8.290 nan 0.000 0.567 516 G N -1.036 107.782 108.800 0.030 0.000 2.582 516 G HA2 -0.271 3.689 3.960 0.001 0.000 0.288 516 G HA3 -0.271 3.689 3.960 0.001 0.000 0.288 516 G C 1.161 176.085 174.900 0.041 0.000 1.247 516 G CA 1.384 46.504 45.100 0.034 0.000 0.972 516 G HN 1.405 nan 8.290 nan 0.000 0.557 517 R N 0.209 120.738 120.500 0.048 0.000 2.096 517 R HA 0.041 4.381 4.340 0.001 0.000 0.235 517 R C 3.237 179.585 176.300 0.079 0.000 1.127 517 R CA 1.945 58.079 56.100 0.057 0.000 0.968 517 R CB -0.592 29.750 30.300 0.070 0.000 0.861 517 R HN 0.688 nan 8.270 nan 0.000 0.440 518 A N 1.227 124.103 122.820 0.093 0.000 1.902 518 A HA -0.149 4.172 4.320 0.001 0.000 0.217 518 A C 2.366 179.992 177.584 0.070 0.000 1.181 518 A CA 1.759 53.864 52.037 0.113 0.000 0.623 518 A CB -0.640 18.427 19.000 0.112 0.000 0.818 518 A HN 0.402 nan 8.150 nan 0.000 0.443 519 A N -0.168 122.683 122.820 0.051 0.000 1.933 519 A HA -0.061 4.260 4.320 0.001 0.000 0.218 519 A C 1.983 179.595 177.584 0.048 0.000 1.175 519 A CA 1.570 53.628 52.037 0.035 0.000 0.628 519 A CB -0.476 18.540 19.000 0.027 0.000 0.814 519 A HN 0.421 nan 8.150 nan 0.000 0.444 520 I N -0.133 120.474 120.570 0.061 0.000 2.226 520 I HA -0.252 3.919 4.170 0.001 0.000 0.245 520 I C 2.601 178.765 176.117 0.077 0.000 1.100 520 I CA 0.948 62.306 61.300 0.098 0.000 1.374 520 I CB -1.753 36.249 38.000 0.003 0.000 1.057 520 I HN 0.371 nan 8.210 nan 0.000 0.413 521 C N 0.994 120.299 119.300 0.009 0.000 2.413 521 C HA -0.120 4.340 4.460 0.001 0.000 0.276 521 C C 3.061 178.015 174.990 -0.061 0.000 1.236 521 C CA 1.077 60.038 59.018 -0.095 0.000 1.735 521 C CB -1.733 25.904 27.740 -0.171 0.000 2.031 521 C HN 0.642 nan 8.230 nan 0.000 0.474 522 G N 0.159 108.972 108.800 0.021 0.000 2.446 522 G HA2 -0.300 3.660 3.960 0.001 0.000 0.217 522 G HA3 -0.300 3.660 3.960 0.001 0.000 0.217 522 G C 1.635 176.562 174.900 0.045 0.000 1.168 522 G CA 1.282 46.436 45.100 0.090 0.000 0.771 522 G HN 0.665 nan 8.290 nan 0.000 0.551 523 K N -0.948 119.440 120.400 -0.021 0.000 2.062 523 K HA -0.013 4.307 4.320 0.001 0.000 0.205 523 K C 2.181 178.609 176.600 -0.287 0.000 1.051 523 K CA 0.918 57.120 56.287 -0.141 0.000 0.941 523 K CB -0.244 32.161 32.500 -0.158 0.000 0.719 523 K HN 0.438 nan 8.250 nan 0.000 0.440 524 Y N 0.721 120.832 120.300 -0.315 0.000 2.230 524 Y HA 0.030 4.580 4.550 0.001 0.000 0.294 524 Y C 2.063 177.648 175.900 -0.526 0.000 1.120 524 Y CA 0.657 58.391 58.100 -0.610 0.000 1.129 524 Y CB 0.024 37.867 38.460 -1.029 0.000 1.040 524 Y HN -0.094 nan 8.280 nan 0.000 0.519 525 L N -1.506 119.543 121.223 -0.291 0.000 2.131 525 L HA -0.164 4.176 4.340 0.001 0.000 0.210 525 L C 0.625 177.213 176.870 -0.471 0.000 1.092 525 L CA 1.369 55.978 54.840 -0.384 0.000 0.759 525 L CB -0.316 41.279 42.059 -0.774 0.000 0.903 525 L HN 0.207 nan 8.230 nan 0.000 0.435 526 F N -1.639 118.248 119.950 -0.105 0.000 2.735 526 F HA 0.186 4.714 4.527 0.001 0.000 0.304 526 F C 1.543 177.019 175.800 -0.541 0.000 1.119 526 F CA -0.433 57.303 58.000 -0.441 0.000 1.280 526 F CB -0.494 38.254 39.000 -0.420 0.000 0.994 526 F HN -0.090 nan 8.300 nan 0.000 0.520 527 N N 1.090 119.702 118.700 -0.146 0.000 2.289 527 N HA -0.187 4.554 4.740 0.001 0.000 0.184 527 N C 1.984 177.465 175.510 -0.048 0.000 1.016 527 N CA 1.545 54.531 53.050 -0.106 0.000 0.872 527 N CB -0.184 38.262 38.487 -0.068 0.000 0.973 527 N HN 0.529 nan 8.380 nan 0.000 0.433 528 W N -0.442 120.905 121.300 0.078 0.000 2.421 528 W HA 0.103 4.763 4.660 0.001 0.000 0.270 528 W C 1.214 177.792 176.519 0.098 0.000 1.233 528 W CA 0.714 58.113 57.345 0.090 0.000 1.226 528 W CB -0.829 28.697 29.460 0.111 0.000 1.121 528 W HN 0.058 nan 8.180 nan 0.000 0.579 529 A N 1.387 123.872 122.820 -0.558 0.000 2.132 529 A HA 0.216 4.536 4.320 0.001 0.000 0.213 529 A C 0.997 178.451 177.584 -0.218 0.000 1.154 529 A CA 0.889 52.598 52.037 -0.546 0.000 0.753 529 A CB -0.723 17.660 19.000 -1.028 0.000 0.826 529 A HN 0.115 nan 8.150 nan 0.000 0.469 530 V N -2.339 117.473 119.914 -0.170 0.000 2.472 530 V HA 0.483 4.603 4.120 0.001 0.000 0.290 530 V C 1.153 177.220 176.094 -0.046 0.000 1.037 530 V CA -0.412 61.825 62.300 -0.106 0.000 0.908 530 V CB 1.295 33.046 31.823 -0.119 0.000 0.985 530 V HN 0.502 nan 8.190 nan 0.000 0.454 531 R N 3.098 123.580 120.500 -0.031 0.000 2.083 531 R HA -0.089 4.251 4.340 0.001 0.000 0.237 531 R C 1.197 177.484 176.300 -0.022 0.000 1.137 531 R CA 1.941 58.033 56.100 -0.013 0.000 0.951 531 R CB -0.482 29.812 30.300 -0.010 0.000 0.851 531 R HN 0.954 nan 8.270 nan 0.000 0.434 532 T N 0.973 115.506 114.554 -0.035 0.000 2.992 532 T HA 0.230 4.581 4.350 0.001 0.000 0.299 532 T C -0.330 174.341 174.700 -0.049 0.000 1.027 532 T CA -0.907 61.170 62.100 -0.038 0.000 1.001 532 T CB 0.599 69.443 68.868 -0.040 0.000 1.005 532 T HN -0.002 nan 8.240 nan 0.000 0.599 533 K N 2.936 123.310 120.400 -0.043 0.000 2.380 533 K HA 0.278 4.598 4.320 0.001 0.000 0.267 533 K C 0.380 176.939 176.600 -0.068 0.000 0.990 533 K CA -0.276 55.980 56.287 -0.052 0.000 0.946 533 K CB 0.635 33.114 32.500 -0.034 0.000 0.937 533 K HN 0.616 nan 8.250 nan 0.000 0.491 534 L N 1.677 122.842 121.223 -0.097 0.000 2.344 534 L HA 0.330 4.671 4.340 0.001 0.000 0.272 534 L C 0.542 177.340 176.870 -0.120 0.000 1.035 534 L CA -0.903 53.868 54.840 -0.115 0.000 0.807 534 L CB 1.034 42.997 42.059 -0.160 0.000 1.237 534 L HN 0.331 nan 8.230 nan 0.000 0.442 535 K N 2.976 123.316 120.400 -0.099 0.000 2.378 535 K HA 0.311 4.631 4.320 0.001 0.000 0.288 535 K C -0.934 175.590 176.600 -0.126 0.000 1.057 535 K CA 0.017 56.257 56.287 -0.078 0.000 0.971 535 K CB 0.398 32.873 32.500 -0.042 0.000 0.975 535 K HN 0.380 nan 8.250 nan 0.000 0.475 536 L N 4.346 125.500 121.223 -0.115 0.000 2.259 536 L HA 0.195 4.535 4.340 0.001 0.000 0.288 536 L C 0.655 177.571 176.870 0.077 0.000 1.051 536 L CA -0.602 54.142 54.840 -0.159 0.000 0.824 536 L CB 0.694 42.658 42.059 -0.159 0.000 1.206 536 L HN 0.721 nan 8.230 nan 0.000 0.429 537 T N 0.584 115.223 114.554 0.143 0.000 2.944 537 T HA 0.547 4.897 4.350 0.001 0.000 0.284 537 T C -2.592 172.248 174.700 0.234 0.000 1.010 537 T CA -2.386 59.812 62.100 0.163 0.000 1.025 537 T CB 1.457 70.387 68.868 0.103 0.000 1.079 537 T HN 0.156 nan 8.240 nan 0.000 0.516 538 P HA 0.181 nan 4.420 nan 0.000 0.262 538 P C -0.437 176.895 177.300 0.053 0.000 1.182 538 P CA 0.006 63.166 63.100 0.100 0.000 0.761 538 P CB 0.041 31.778 31.700 0.062 0.000 0.795 539 I N 2.514 123.067 120.570 -0.027 0.000 2.452 539 I HA 0.053 4.223 4.170 0.001 0.000 0.287 539 I C 1.632 177.715 176.117 -0.056 0.000 1.079 539 I CA -0.167 61.066 61.300 -0.112 0.000 1.387 539 I CB 1.032 38.869 38.000 -0.272 0.000 1.404 539 I HN 0.431 nan 8.210 nan 0.000 0.522 540 A N 6.002 128.800 122.820 -0.036 0.000 1.883 540 A HA -0.208 4.112 4.320 0.001 0.000 0.217 540 A C 2.400 179.964 177.584 -0.033 0.000 1.186 540 A CA 1.986 54.009 52.037 -0.023 0.000 0.624 540 A CB -0.581 18.411 19.000 -0.012 0.000 0.822 540 A HN 0.866 nan 8.150 nan 0.000 0.444 541 A N -0.364 122.430 122.820 -0.043 0.000 2.076 541 A HA 0.162 4.482 4.320 0.001 0.000 0.220 541 A C 2.395 179.949 177.584 -0.050 0.000 1.160 541 A CA 1.914 53.926 52.037 -0.042 0.000 0.653 541 A CB -0.838 18.138 19.000 -0.040 0.000 0.801 541 A HN 1.072 nan 8.150 nan 0.000 0.455 542 A N -0.388 122.398 122.820 -0.056 0.000 1.902 542 A HA 0.110 4.430 4.320 0.001 0.000 0.217 542 A C 2.343 179.889 177.584 -0.063 0.000 1.181 542 A CA 1.758 53.759 52.037 -0.059 0.000 0.623 542 A CB -1.270 17.702 19.000 -0.046 0.000 0.818 542 A HN 0.770 nan 8.150 nan 0.000 0.443 543 G N -0.890 107.881 108.800 -0.049 0.000 2.509 543 G HA2 -0.122 3.839 3.960 0.001 0.000 0.218 543 G HA3 -0.122 3.839 3.960 0.001 0.000 0.218 543 G C 1.489 176.357 174.900 -0.053 0.000 1.124 543 G CA 0.553 45.625 45.100 -0.047 0.000 0.776 543 G HN 0.589 nan 8.290 nan 0.000 0.547 544 R N -0.559 119.908 120.500 -0.055 0.000 2.359 544 R HA 0.343 4.684 4.340 0.001 0.000 0.231 544 R C 0.478 176.735 176.300 -0.072 0.000 0.913 544 R CA -0.345 55.723 56.100 -0.053 0.000 1.075 544 R CB 0.137 30.414 30.300 -0.039 0.000 1.087 544 R HN 0.273 nan 8.270 nan 0.000 0.515 550 W N 1.176 122.358 121.300 -0.196 0.000 2.363 550 W HA 0.357 5.017 4.660 0.001 0.000 0.296 550 W C 0.583 176.663 176.519 -0.732 0.000 1.212 550 W CA 0.683 57.648 57.345 -0.632 0.000 1.260 550 W CB -0.387 28.429 29.460 -1.073 0.000 1.131 550 W HN 0.126 nan 8.180 nan 0.000 0.530 551 F N -0.329 119.756 119.950 0.226 0.000 2.471 551 F HA 0.292 4.819 4.527 0.001 0.000 0.318 551 F C 0.893 176.837 175.800 0.241 0.000 1.308 551 F CA -0.199 57.925 58.000 0.206 0.000 1.162 551 F CB 0.336 39.408 39.000 0.120 0.000 1.383 551 F HN -0.384 nan 8.300 nan 0.000 0.552 552 T N -0.359 114.418 114.554 0.371 0.000 3.075 552 T HA 0.617 4.968 4.350 0.001 0.000 0.251 552 T C 0.491 175.347 174.700 0.259 0.000 0.979 552 T CA 0.457 62.717 62.100 0.265 0.000 1.033 552 T CB 0.554 69.557 68.868 0.224 0.000 1.104 552 T HN 0.278 nan 8.240 nan 0.000 0.473 553 A N 0.282 123.239 122.820 0.228 0.000 2.609 553 A HA 0.759 5.079 4.320 0.001 0.000 0.291 553 A C -0.457 176.862 177.584 -0.441 0.000 1.096 553 A CA -0.409 51.622 52.037 -0.010 0.000 0.684 553 A CB 1.015 19.882 19.000 -0.221 0.000 1.282 553 A HN 0.319 nan 8.150 nan 0.000 0.412 554 G N -1.131 107.147 108.800 -0.870 0.000 2.367 554 G HA2 0.545 4.506 3.960 0.001 0.000 0.314 554 G HA3 0.545 4.506 3.960 0.001 0.000 0.314 554 G C -0.887 173.417 174.900 -0.994 0.000 1.130 554 G CA -0.101 44.153 45.100 -1.410 0.000 0.864 554 G HN 0.596 nan 8.290 nan 0.000 0.486 555 Y N 0.515 120.628 120.300 -0.311 0.000 2.779 555 Y HA 0.265 4.815 4.550 0.001 0.000 0.251 555 Y C 1.310 177.143 175.900 -0.111 0.000 1.145 555 Y CA -0.797 57.214 58.100 -0.149 0.000 1.201 555 Y CB 0.416 38.808 38.460 -0.113 0.000 1.281 555 Y HN 0.388 nan 8.280 nan 0.000 0.563 556 S N 0.882 116.564 115.700 -0.030 0.000 2.575 556 S HA 0.283 4.754 4.470 0.001 0.000 0.295 556 S C 1.364 175.992 174.600 0.048 0.000 1.267 556 S CA 1.360 59.570 58.200 0.017 0.000 1.074 556 S CB 0.136 63.348 63.200 0.019 0.000 0.829 556 S HN 0.915 nan 8.310 nan 0.000 0.497 557 G N 2.978 111.810 108.800 0.053 0.000 2.205 557 G HA2 -0.244 3.716 3.960 0.001 0.000 0.261 557 G HA3 -0.244 3.716 3.960 0.001 0.000 0.261 557 G C 0.782 175.724 174.900 0.069 0.000 0.980 557 G CA 0.244 45.383 45.100 0.065 0.000 0.632 557 G HN 1.058 nan 8.290 nan 0.000 0.533 558 G N -0.122 108.723 108.800 0.076 0.000 3.042 558 G HA2 0.397 4.358 3.960 0.001 0.000 0.212 558 G HA3 0.397 4.358 3.960 0.001 0.000 0.212 558 G C 0.457 175.385 174.900 0.046 0.000 1.166 558 G CA 1.171 46.329 45.100 0.098 0.000 0.767 558 G HN 1.250 nan 8.290 nan 0.000 0.546 559 D N -0.369 120.025 120.400 -0.009 0.000 2.705 559 D HA -0.164 4.477 4.640 0.001 0.000 0.240 559 D C -0.179 176.052 176.300 -0.114 0.000 1.137 559 D CA 0.336 54.295 54.000 -0.068 0.000 0.677 559 D CB -1.230 39.541 40.800 -0.047 0.000 1.049 559 D HN 0.111 nan 8.370 nan 0.000 0.427 560 I N 1.561 122.028 120.570 -0.172 0.000 2.404 560 I HA 0.352 4.522 4.170 0.001 0.000 0.293 560 I C -0.127 175.756 176.117 -0.391 0.000 0.992 560 I CA -0.775 60.328 61.300 -0.328 0.000 1.149 560 I CB 1.257 38.923 38.000 -0.558 0.000 1.315 560 I HN 0.126 nan 8.210 nan 0.000 0.446 561 Y N 6.169 126.171 120.300 -0.497 0.000 2.350 561 Y HA 0.504 5.054 4.550 0.001 0.000 0.338 561 Y C -0.375 175.280 175.900 -0.408 0.000 0.961 561 Y CA -0.369 57.453 58.100 -0.463 0.000 1.100 561 Y CB 0.909 39.186 38.460 -0.306 0.000 1.179 561 Y HN 0.522 nan 8.280 nan 0.000 0.454 562 H N 0.000 118.476 119.070 -0.990 0.000 2.539 562 H HA 0.000 4.556 4.556 0.001 0.000 0.296 562 H CA 0.000 55.616 56.048 -0.720 0.000 1.023 562 H CB 0.000 29.340 29.762 -0.703 0.000 1.292 562 H HN 0.000 nan 8.280 nan 0.000 0.496