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 2q3e_1_F DATA FIRST_RESID 1 DATA SEQUENCE MFEIKKICCI GAGYVGGPTC SVIAHMCPEI RVTVVDVNES RINAWNSPTL DATA SEQUENCE PIYEPGLKEV VESCRGKNLF FSTNIDDAIK EADLVFISVN TPTKTYGMGK DATA SEQUENCE GRAADLKYIE ACARRIVQNS NGYKIVTEKS TVPVRAAESI RRIFDANTKP DATA SEQUENCE NLNLQVLSNP EFLAEGTAIK DLKNPDRVLI GGDETPEGQR AVQALCAVYE DATA SEQUENCE HWVPREKILT TNTWSSELSK LAANAFLAQR ISSINSISAL CEATGADVEE DATA SEQUENCE VATAIGMDQR IGNKFLKASV GFGGSCFQKD VLNLVYLCEA LNLPEVARYW DATA SEQUENCE QQVIDMNDYQ RRRFASRIID SLFNTVTDKK IAILGFAFKK DTGDTRESSS DATA SEQUENCE IYISKYLMDE GAHLHIYDPK VPREQIVVDL SHXXXXXXDQ VSRLVTISKD DATA SEQUENCE PYEACDGAHA VVICTEWDMF KELDYERIHK KMLKPAFIFD GRRVLDGLHN DATA SEQUENCE ELQTIGFQIE TIGKKV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.341 176.300 0.069 0.000 1.140 1 M CA 0.000 55.328 55.300 0.046 0.000 0.988 1 M CB 0.000 32.615 32.600 0.026 0.000 1.302 2 F N 2.030 121.956 119.950 -0.040 0.000 2.495 2 F HA 0.628 5.155 4.527 0.001 0.000 0.365 2 F C 0.688 176.492 175.800 0.006 0.000 1.090 2 F CA 0.417 58.395 58.000 -0.038 0.000 1.235 2 F CB 0.689 39.651 39.000 -0.062 0.000 1.119 2 F HN 0.844 nan 8.300 nan 0.000 0.562 3 E N 6.690 126.412 120.200 -0.796 0.000 2.113 3 E HA 0.336 4.686 4.350 0.001 0.000 0.273 3 E C -0.837 175.289 176.600 -0.790 0.000 0.924 3 E CA -0.683 55.382 56.400 -0.559 0.000 0.764 3 E CB 0.751 30.264 29.700 -0.312 0.000 1.104 3 E HN 0.657 nan 8.360 nan 0.000 0.406 4 I N 4.324 124.672 120.570 -0.371 0.000 2.452 4 I HA -0.006 4.164 4.170 0.001 0.000 0.287 4 I C 0.938 176.968 176.117 -0.146 0.000 1.079 4 I CA 0.189 61.385 61.300 -0.175 0.000 1.387 4 I CB 0.792 38.787 38.000 -0.007 0.000 1.404 4 I HN 0.428 nan 8.210 nan 0.000 0.522 5 K N 4.205 124.530 120.400 -0.125 0.000 2.425 5 K HA 0.265 4.585 4.320 0.001 0.000 0.201 5 K C 0.190 176.762 176.600 -0.048 0.000 1.128 5 K CA 0.166 56.402 56.287 -0.085 0.000 1.000 5 K CB 0.570 33.016 32.500 -0.090 0.000 0.961 5 K HN 0.512 nan 8.250 nan 0.000 0.555 6 K N 0.469 120.851 120.400 -0.031 0.000 2.471 6 K HA 0.549 4.869 4.320 0.001 0.000 0.252 6 K C -1.109 175.479 176.600 -0.021 0.000 0.938 6 K CA -0.394 55.880 56.287 -0.021 0.000 0.796 6 K CB 2.197 34.685 32.500 -0.020 0.000 1.161 6 K HN 0.016 nan 8.250 nan 0.000 0.425 7 I N 1.975 122.535 120.570 -0.018 0.000 2.465 7 I HA 0.311 4.481 4.170 0.001 0.000 0.291 7 I C -0.576 175.543 176.117 0.003 0.000 1.014 7 I CA -1.044 60.247 61.300 -0.016 0.000 1.093 7 I CB 1.822 39.838 38.000 0.026 0.000 1.267 7 I HN 0.620 nan 8.210 nan 0.000 0.431 8 C N 6.282 125.583 119.300 0.001 0.000 2.417 8 C HA 0.665 5.126 4.460 0.001 0.000 0.324 8 C C -0.202 174.843 174.990 0.092 0.000 1.240 8 C CA -0.565 58.465 59.018 0.020 0.000 1.632 8 C CB 0.544 28.283 27.740 -0.002 0.000 2.241 8 C HN 0.953 nan 8.230 nan 0.000 0.499 9 C N 8.179 127.534 119.300 0.093 0.000 2.316 9 C HA 0.590 5.050 4.460 0.001 0.000 0.324 9 C C -0.150 174.887 174.990 0.078 0.000 1.226 9 C CA -0.704 58.399 59.018 0.141 0.000 1.450 9 C CB -0.985 26.811 27.740 0.094 0.000 2.123 9 C HN 0.836 nan 8.230 nan 0.000 0.454 10 I N 6.377 127.007 120.570 0.101 0.000 2.363 10 I HA 0.497 4.667 4.170 0.001 0.000 0.292 10 I C 0.934 177.097 176.117 0.078 0.000 1.075 10 I CA 0.935 62.285 61.300 0.083 0.000 1.333 10 I CB 0.266 38.320 38.000 0.091 0.000 1.415 10 I HN 1.043 nan 8.210 nan 0.000 0.502 11 G N 4.685 113.523 108.800 0.063 0.000 3.353 11 G HA2 0.130 4.091 3.960 0.001 0.000 0.682 11 G HA3 0.130 4.091 3.960 0.001 0.000 0.682 11 G C -0.357 174.572 174.900 0.049 0.000 1.192 11 G CA -0.396 44.738 45.100 0.057 0.000 1.111 11 G HN 0.915 nan 8.290 nan 0.000 0.493 12 A N 1.694 124.563 122.820 0.082 0.000 3.264 12 A HA 0.797 5.118 4.320 0.001 0.000 0.299 12 A C 1.306 179.039 177.584 0.248 0.000 1.272 12 A CA 1.053 53.133 52.037 0.072 0.000 1.030 12 A CB -0.164 18.881 19.000 0.074 0.000 1.102 12 A HN 1.934 nan 8.150 nan 0.000 0.615 13 G N -1.189 107.720 108.800 0.183 0.000 2.773 13 G HA2 0.370 4.331 3.960 0.001 0.000 0.186 13 G HA3 0.370 4.331 3.960 0.001 0.000 0.186 13 G C 0.459 175.492 174.900 0.222 0.000 1.411 13 G CA -0.210 45.026 45.100 0.227 0.000 1.054 13 G HN 0.295 nan 8.290 nan 0.000 0.579 14 Y N -0.967 119.434 120.300 0.167 0.000 2.497 14 Y HA 0.015 4.565 4.550 0.001 0.000 0.292 14 Y C 2.696 178.654 175.900 0.098 0.000 1.137 14 Y CA 0.643 58.833 58.100 0.150 0.000 1.285 14 Y CB 0.005 38.529 38.460 0.107 0.000 0.991 14 Y HN 0.050 nan 8.280 nan 0.000 0.556 15 V N -1.574 118.451 119.914 0.186 0.000 2.403 15 V HA -0.021 4.099 4.120 0.001 0.000 0.239 15 V C 2.469 178.562 176.094 -0.002 0.000 1.041 15 V CA 1.498 63.840 62.300 0.069 0.000 1.051 15 V CB -1.142 30.695 31.823 0.024 0.000 0.704 15 V HN 0.381 nan 8.190 nan 0.000 0.472 16 G N 0.390 109.184 108.800 -0.011 0.000 2.446 16 G HA2 -0.177 3.783 3.960 0.001 0.000 0.217 16 G HA3 -0.177 3.783 3.960 0.001 0.000 0.217 16 G C 1.599 176.402 174.900 -0.161 0.000 1.168 16 G CA 1.192 46.243 45.100 -0.082 0.000 0.771 16 G HN 0.578 nan 8.290 nan 0.000 0.551 17 G N 1.616 110.293 108.800 -0.205 0.000 2.484 17 G HA2 -0.078 3.882 3.960 0.001 0.000 0.215 17 G HA3 -0.078 3.882 3.960 0.001 0.000 0.215 17 G C 0.081 174.845 174.900 -0.227 0.000 1.219 17 G CA 1.333 46.121 45.100 -0.519 0.000 0.791 17 G HN 0.405 nan 8.290 nan 0.000 0.550 18 P HA -0.113 nan 4.420 nan 0.000 0.215 18 P C 2.445 179.725 177.300 -0.033 0.000 1.157 18 P CA 2.677 65.785 63.100 0.013 0.000 0.868 18 P CB -0.438 31.306 31.700 0.072 0.000 0.788 19 T N -3.263 111.261 114.554 -0.049 0.000 2.684 19 T HA -0.228 4.122 4.350 0.001 0.000 0.267 19 T C 1.984 176.629 174.700 -0.093 0.000 1.036 19 T CA 1.715 63.778 62.100 -0.061 0.000 1.148 19 T CB -1.724 67.062 68.868 -0.136 0.000 0.863 19 T HN 0.064 nan 8.240 nan 0.000 0.436 20 C N 1.462 120.676 119.300 -0.144 0.000 2.440 20 C HA 0.051 4.511 4.460 0.001 0.000 0.278 20 C C 3.423 178.323 174.990 -0.150 0.000 1.295 20 C CA 0.917 59.847 59.018 -0.148 0.000 1.738 20 C CB -1.428 26.187 27.740 -0.209 0.000 1.987 20 C HN 0.648 nan 8.230 nan 0.000 0.492 21 S N 0.651 116.270 115.700 -0.136 0.000 2.382 21 S HA -0.133 4.337 4.470 0.001 0.000 0.228 21 S C 1.862 176.399 174.600 -0.105 0.000 1.027 21 S CA 1.404 59.545 58.200 -0.099 0.000 0.991 21 S CB -0.268 62.911 63.200 -0.036 0.000 0.823 21 S HN 0.509 nan 8.310 nan 0.000 0.469 22 V N 1.756 121.593 119.914 -0.129 0.000 2.453 22 V HA -0.073 4.047 4.120 0.001 0.000 0.247 22 V C 2.006 177.867 176.094 -0.388 0.000 1.048 22 V CA 1.184 63.352 62.300 -0.220 0.000 1.049 22 V CB -0.579 31.123 31.823 -0.201 0.000 0.672 22 V HN 0.428 nan 8.190 nan 0.000 0.457 23 I N 0.644 121.051 120.570 -0.272 0.000 2.163 23 I HA -0.271 3.899 4.170 0.001 0.000 0.243 23 I C 2.672 178.665 176.117 -0.207 0.000 1.085 23 I CA 1.695 62.852 61.300 -0.238 0.000 1.347 23 I CB -0.574 37.413 38.000 -0.021 0.000 1.044 23 I HN 0.291 nan 8.210 nan 0.000 0.408 24 A N -0.115 122.617 122.820 -0.146 0.000 1.902 24 A HA -0.304 4.016 4.320 0.001 0.000 0.217 24 A C 2.191 179.714 177.584 -0.101 0.000 1.181 24 A CA 2.125 54.092 52.037 -0.117 0.000 0.623 24 A CB -0.974 17.953 19.000 -0.122 0.000 0.818 24 A HN 0.541 nan 8.150 nan 0.000 0.443 25 H N -0.890 118.060 119.070 -0.200 0.000 2.353 25 H HA -0.027 4.529 4.556 0.001 0.000 0.300 25 H C 1.756 176.965 175.328 -0.199 0.000 1.090 25 H CA 2.098 58.035 56.048 -0.184 0.000 1.327 25 H CB -0.059 29.588 29.762 -0.191 0.000 1.383 25 H HN 0.309 nan 8.280 nan 0.000 0.508 26 M N -0.673 118.709 119.600 -0.364 0.000 2.514 26 M HA 0.093 4.573 4.480 0.001 0.000 0.258 26 M C 0.359 176.577 176.300 -0.138 0.000 1.119 26 M CA 0.293 55.379 55.300 -0.357 0.000 1.111 26 M CB -0.400 31.812 32.600 -0.646 0.000 1.390 26 M HN 0.286 nan 8.290 nan 0.000 0.475 27 C N 2.134 121.334 119.300 -0.166 0.000 3.003 27 C HA 0.296 4.756 4.460 0.001 0.000 0.241 27 C C -1.012 173.914 174.990 -0.106 0.000 1.224 27 C CA -1.066 57.862 59.018 -0.150 0.000 1.560 27 C CB 0.071 27.618 27.740 -0.321 0.000 1.768 27 C HN 0.246 nan 8.230 nan 0.000 0.440 28 P HA -0.188 nan 4.420 nan 0.000 0.219 28 P C 1.392 178.675 177.300 -0.029 0.000 1.146 28 P CA 1.688 64.756 63.100 -0.054 0.000 0.808 28 P CB 0.250 31.922 31.700 -0.045 0.000 0.779 29 E N 0.141 120.331 120.200 -0.017 0.000 2.481 29 E HA -0.010 4.341 4.350 0.001 0.000 0.195 29 E C 0.587 177.173 176.600 -0.023 0.000 1.047 29 E CA 0.073 56.469 56.400 -0.007 0.000 0.867 29 E CB -0.412 29.297 29.700 0.015 0.000 0.858 29 E HN 0.301 nan 8.360 nan 0.000 0.513 30 I N 1.969 122.510 120.570 -0.048 0.000 2.359 30 I HA 0.283 4.454 4.170 0.001 0.000 0.294 30 I C 0.474 176.578 176.117 -0.021 0.000 0.987 30 I CA -0.867 60.401 61.300 -0.053 0.000 1.225 30 I CB 1.494 39.436 38.000 -0.098 0.000 1.366 30 I HN -0.139 nan 8.210 nan 0.000 0.466 31 R N 5.950 126.452 120.500 0.003 0.000 2.221 31 R HA 0.525 4.865 4.340 0.001 0.000 0.327 31 R C -1.494 174.829 176.300 0.038 0.000 1.033 31 R CA -0.376 55.758 56.100 0.057 0.000 0.887 31 R CB 1.016 31.348 30.300 0.054 0.000 1.057 31 R HN 0.460 nan 8.270 nan 0.000 0.455 32 V N 4.300 124.243 119.914 0.049 0.000 2.378 32 V HA 0.309 4.429 4.120 0.001 0.000 0.288 32 V C -0.340 175.744 176.094 -0.017 0.000 1.016 32 V CA -0.628 61.667 62.300 -0.008 0.000 0.840 32 V CB 1.810 33.592 31.823 -0.067 0.000 0.994 32 V HN 0.792 nan 8.190 nan 0.000 0.431 33 T N 4.499 119.034 114.554 -0.032 0.000 2.786 33 T HA 0.538 4.888 4.350 0.001 0.000 0.283 33 T C -0.270 174.355 174.700 -0.125 0.000 0.992 33 T CA -0.399 61.663 62.100 -0.064 0.000 0.954 33 T CB 1.563 70.413 68.868 -0.029 0.000 0.934 33 T HN 0.344 nan 8.240 nan 0.000 0.440 34 V N 4.565 124.320 119.914 -0.265 0.000 2.394 34 V HA 0.677 4.797 4.120 0.001 0.000 0.282 34 V C 0.357 176.422 176.094 -0.048 0.000 1.031 34 V CA -0.767 61.411 62.300 -0.203 0.000 0.881 34 V CB 1.050 32.641 31.823 -0.387 0.000 0.982 34 V HN 0.791 nan 8.190 nan 0.000 0.451 35 V N 0.747 120.668 119.914 0.012 0.000 3.074 35 V HA 0.875 4.995 4.120 0.001 0.000 0.314 35 V C -0.976 175.165 176.094 0.079 0.000 1.117 35 V CA -0.528 61.806 62.300 0.058 0.000 1.014 35 V CB 2.313 34.163 31.823 0.045 0.000 1.057 35 V HN 0.854 nan 8.190 nan 0.000 0.438 36 D N -0.135 120.322 120.400 0.094 0.000 2.663 36 D HA 0.296 4.937 4.640 0.001 0.000 0.233 36 D C 0.399 176.753 176.300 0.090 0.000 1.240 36 D CA 0.140 54.199 54.000 0.098 0.000 0.774 36 D CB 2.672 43.548 40.800 0.127 0.000 1.443 36 D HN 0.734 nan 8.370 nan 0.000 0.441 37 V N 0.333 120.297 119.914 0.083 0.000 2.871 37 V HA 0.117 4.237 4.120 0.001 0.000 0.256 37 V C 0.893 177.031 176.094 0.073 0.000 1.082 37 V CA 0.528 62.873 62.300 0.076 0.000 1.105 37 V CB -0.457 31.415 31.823 0.081 0.000 0.713 37 V HN 0.374 nan 8.190 nan 0.000 0.473 38 N N 1.841 120.588 118.700 0.078 0.000 2.415 38 N HA 0.048 4.788 4.740 0.001 0.000 0.250 38 N C 0.934 176.492 175.510 0.080 0.000 1.127 38 N CA 0.415 53.508 53.050 0.072 0.000 0.945 38 N CB 1.086 39.614 38.487 0.069 0.000 1.196 38 N HN 0.633 nan 8.380 nan 0.000 0.499 39 E N 2.098 122.336 120.200 0.065 0.000 2.072 39 E HA -0.173 4.177 4.350 0.001 0.000 0.191 39 E C 1.337 177.970 176.600 0.055 0.000 0.985 39 E CA 1.258 57.697 56.400 0.064 0.000 0.801 39 E CB 0.179 29.909 29.700 0.050 0.000 0.750 39 E HN 0.718 nan 8.360 nan 0.000 0.452 40 S N 0.459 116.180 115.700 0.035 0.000 2.402 40 S HA -0.208 4.263 4.470 0.001 0.000 0.229 40 S C 2.073 176.670 174.600 -0.004 0.000 1.021 40 S CA 1.072 59.279 58.200 0.011 0.000 0.974 40 S CB -0.309 62.890 63.200 -0.001 0.000 0.800 40 S HN 0.240 nan 8.310 nan 0.000 0.484 41 R N 0.823 121.335 120.500 0.020 0.000 2.070 41 R HA 0.002 4.342 4.340 0.001 0.000 0.233 41 R C 2.159 178.524 176.300 0.109 0.000 1.137 41 R CA 1.652 57.762 56.100 0.016 0.000 0.945 41 R CB -0.396 29.954 30.300 0.084 0.000 0.845 41 R HN 0.366 nan 8.270 nan 0.000 0.430 42 I N 2.006 122.691 120.570 0.192 0.000 2.208 42 I HA -0.272 3.898 4.170 0.001 0.000 0.245 42 I C 1.672 177.878 176.117 0.149 0.000 1.097 42 I CA 1.379 62.829 61.300 0.250 0.000 1.363 42 I CB -1.442 36.685 38.000 0.212 0.000 1.051 42 I HN 0.292 nan 8.210 nan 0.000 0.413 43 N N 1.261 120.007 118.700 0.077 0.000 2.149 43 N HA -0.135 4.605 4.740 0.001 0.000 0.188 43 N C 1.900 177.399 175.510 -0.019 0.000 1.019 43 N CA 1.659 54.731 53.050 0.037 0.000 0.857 43 N CB -0.254 38.245 38.487 0.019 0.000 0.997 43 N HN 0.390 nan 8.380 nan 0.000 0.426 44 A N -0.122 122.647 122.820 -0.085 0.000 1.930 44 A HA -0.081 4.239 4.320 0.001 0.000 0.217 44 A C 2.058 179.474 177.584 -0.280 0.000 1.175 44 A CA 0.810 52.727 52.037 -0.200 0.000 0.627 44 A CB -1.083 17.744 19.000 -0.290 0.000 0.815 44 A HN 0.404 nan 8.150 nan 0.000 0.443 45 W N 0.423 121.523 121.300 -0.332 0.000 2.364 45 W HA -0.101 4.559 4.660 0.000 0.000 0.281 45 W C 1.537 177.742 176.519 -0.523 0.000 1.219 45 W CA 0.927 57.873 57.345 -0.665 0.000 1.220 45 W CB -0.048 28.623 29.460 -1.315 0.000 1.127 45 W HN 0.298 nan 8.180 nan 0.000 0.556 46 N N -0.118 118.564 118.700 -0.030 0.000 2.336 46 N HA -0.006 4.734 4.740 0.001 0.000 0.189 46 N C 0.394 175.915 175.510 0.018 0.000 1.113 46 N CA 0.686 53.768 53.050 0.054 0.000 0.858 46 N CB 0.050 38.609 38.487 0.120 0.000 0.970 46 N HN 0.026 nan 8.380 nan 0.000 0.471 47 S N -0.261 115.418 115.700 -0.034 0.000 2.747 47 S HA 0.529 4.999 4.470 0.001 0.000 0.300 47 S C -1.976 172.596 174.600 -0.047 0.000 1.121 47 S CA -1.112 57.065 58.200 -0.038 0.000 0.995 47 S CB 2.060 65.225 63.200 -0.060 0.000 1.113 47 S HN -0.233 nan 8.310 nan 0.000 0.547 48 P HA 0.133 nan 4.420 nan 0.000 0.230 48 P C -0.200 177.066 177.300 -0.057 0.000 1.158 48 P CA 0.835 63.913 63.100 -0.037 0.000 0.769 48 P CB -0.114 31.570 31.700 -0.026 0.000 0.807 49 T N 0.873 115.377 114.554 -0.085 0.000 2.912 49 T HA 0.348 4.698 4.350 0.001 0.000 0.326 49 T C 0.143 174.729 174.700 -0.190 0.000 1.080 49 T CA -0.593 61.441 62.100 -0.110 0.000 1.000 49 T CB 0.329 69.141 68.868 -0.093 0.000 1.008 49 T HN -0.136 nan 8.240 nan 0.000 0.473 50 L N 4.710 125.790 121.223 -0.239 0.000 2.483 50 L HA 0.195 4.535 4.340 0.001 0.000 0.275 50 L C -0.629 175.921 176.870 -0.533 0.000 1.220 50 L CA -1.534 53.027 54.840 -0.465 0.000 0.833 50 L CB 0.506 42.290 42.059 -0.458 0.000 1.102 50 L HN 0.362 nan 8.230 nan 0.000 0.490 51 P HA 0.008 nan 4.420 nan 0.000 0.233 51 P C -0.072 176.934 177.300 -0.490 0.000 1.167 51 P CA 0.995 63.723 63.100 -0.620 0.000 0.770 51 P CB 0.156 31.398 31.700 -0.764 0.000 0.837 52 I N -4.719 115.501 120.570 -0.585 0.000 2.892 52 I HA 0.546 4.717 4.170 0.001 0.000 0.306 52 I C -1.352 174.680 176.117 -0.142 0.000 1.078 52 I CA -1.811 59.267 61.300 -0.369 0.000 1.032 52 I CB 2.234 39.811 38.000 -0.705 0.000 1.229 52 I HN -0.343 nan 8.210 nan 0.000 0.435 53 Y N 2.921 123.185 120.300 -0.060 0.000 2.342 53 Y HA 0.639 5.189 4.550 0.001 0.000 0.338 53 Y C -0.899 175.044 175.900 0.072 0.000 0.965 53 Y CA -0.334 57.768 58.100 0.004 0.000 1.159 53 Y CB 1.053 39.544 38.460 0.051 0.000 1.157 53 Y HN 0.736 nan 8.280 nan 0.000 0.486 54 E N 8.191 128.016 120.200 -0.625 0.000 2.274 54 E HA 0.466 4.816 4.350 0.001 0.000 0.269 54 E C -3.033 173.230 176.600 -0.562 0.000 0.891 54 E CA -2.777 53.332 56.400 -0.484 0.000 0.784 54 E CB 1.710 31.329 29.700 -0.135 0.000 1.225 54 E HN 0.333 nan 8.360 nan 0.000 0.412 55 P HA 0.130 nan 4.420 nan 0.000 0.262 55 P C 0.651 177.864 177.300 -0.145 0.000 1.182 55 P CA 1.405 64.342 63.100 -0.271 0.000 0.761 55 P CB 0.695 32.321 31.700 -0.123 0.000 0.795 56 G N 2.165 110.909 108.800 -0.094 0.000 2.212 56 G HA2 -0.354 3.606 3.960 0.001 0.000 0.266 56 G HA3 -0.354 3.606 3.960 0.001 0.000 0.266 56 G C 0.732 175.586 174.900 -0.076 0.000 0.978 56 G CA 0.436 45.495 45.100 -0.069 0.000 0.632 56 G HN 0.565 nan 8.290 nan 0.000 0.537 57 L N 1.132 122.307 121.223 -0.080 0.000 2.027 57 L HA 0.231 4.571 4.340 0.001 0.000 0.206 57 L C 2.636 179.499 176.870 -0.011 0.000 1.074 57 L CA 3.180 57.999 54.840 -0.035 0.000 0.745 57 L CB -0.622 41.431 42.059 -0.011 0.000 0.898 57 L HN 0.372 nan 8.230 nan 0.000 0.433 58 K N -0.536 119.852 120.400 -0.019 0.000 2.074 58 K HA -0.273 4.047 4.320 0.001 0.000 0.209 58 K C 1.898 178.490 176.600 -0.012 0.000 1.048 58 K CA 2.135 58.420 56.287 -0.003 0.000 0.926 58 K CB -0.090 32.409 32.500 -0.002 0.000 0.713 58 K HN 0.411 nan 8.250 nan 0.000 0.444 59 E N 0.093 120.273 120.200 -0.034 0.000 2.051 59 E HA -0.157 4.193 4.350 0.001 0.000 0.192 59 E C 1.961 178.505 176.600 -0.092 0.000 0.991 59 E CA 1.455 57.823 56.400 -0.053 0.000 0.799 59 E CB -0.100 29.564 29.700 -0.060 0.000 0.748 59 E HN 0.095 nan 8.360 nan 0.000 0.449 60 V N 0.304 120.139 119.914 -0.132 0.000 2.295 60 V HA -0.232 3.889 4.120 0.001 0.000 0.246 60 V C 2.235 178.273 176.094 -0.092 0.000 1.049 60 V CA 1.415 63.587 62.300 -0.214 0.000 1.024 60 V CB -0.496 31.191 31.823 -0.228 0.000 0.648 60 V HN 0.140 nan 8.190 nan 0.000 0.447 61 V N -0.043 119.867 119.914 -0.006 0.000 2.343 61 V HA -0.264 3.857 4.120 0.001 0.000 0.247 61 V C 2.397 178.518 176.094 0.044 0.000 1.051 61 V CA 2.072 64.416 62.300 0.073 0.000 1.036 61 V CB -0.673 31.252 31.823 0.170 0.000 0.654 61 V HN 0.617 nan 8.190 nan 0.000 0.451 62 E N 0.558 120.768 120.200 0.017 0.000 2.204 62 E HA -0.147 4.204 4.350 0.001 0.000 0.194 62 E C 2.288 178.886 176.600 -0.004 0.000 0.989 62 E CA 1.315 57.720 56.400 0.008 0.000 0.824 62 E CB -0.166 29.536 29.700 0.003 0.000 0.756 62 E HN 0.771 nan 8.360 nan 0.000 0.477 63 S N -0.512 115.180 115.700 -0.012 0.000 2.453 63 S HA -0.089 4.382 4.470 0.001 0.000 0.231 63 S C 1.894 176.502 174.600 0.014 0.000 1.005 63 S CA 0.714 58.920 58.200 0.011 0.000 0.949 63 S CB -0.002 63.217 63.200 0.032 0.000 0.774 63 S HN 0.279 nan 8.310 nan 0.000 0.510 64 C N 0.077 119.369 119.300 -0.013 0.000 3.449 64 C HA 0.453 4.913 4.460 0.001 0.000 0.404 64 C C 1.050 175.949 174.990 -0.152 0.000 1.383 64 C CA -0.976 58.004 59.018 -0.062 0.000 1.936 64 C CB -0.801 26.907 27.740 -0.054 0.000 2.738 64 C HN 0.534 nan 8.230 nan 0.000 0.663 65 R N 1.321 121.758 120.500 -0.105 0.000 2.449 65 R HA 0.403 4.744 4.340 0.001 0.000 0.296 65 R C 1.300 177.457 176.300 -0.238 0.000 1.047 65 R CA 1.423 57.430 56.100 -0.154 0.000 1.018 65 R CB -0.028 30.303 30.300 0.051 0.000 0.962 65 R HN 0.609 nan 8.270 nan 0.000 0.428 66 G N 3.457 111.936 108.800 -0.536 0.000 2.225 66 G HA2 -0.323 3.638 3.960 0.001 0.000 0.254 66 G HA3 -0.323 3.638 3.960 0.001 0.000 0.254 66 G C 0.605 175.298 174.900 -0.346 0.000 0.988 66 G CA 0.607 45.458 45.100 -0.416 0.000 0.625 66 G HN 0.641 nan 8.290 nan 0.000 0.527 67 K N -0.077 120.102 120.400 -0.369 0.000 2.167 67 K HA 0.147 4.467 4.320 0.001 0.000 0.214 67 K C 1.712 178.244 176.600 -0.113 0.000 1.024 67 K CA 0.952 57.151 56.287 -0.147 0.000 0.951 67 K CB -0.122 32.322 32.500 -0.093 0.000 0.907 67 K HN 0.381 nan 8.250 nan 0.000 0.459 68 N N 0.456 119.037 118.700 -0.198 0.000 2.143 68 N HA 0.057 4.798 4.740 0.001 0.000 0.229 68 N C -0.666 174.747 175.510 -0.162 0.000 1.294 68 N CA -0.183 52.839 53.050 -0.047 0.000 0.883 68 N CB 0.410 38.890 38.487 -0.013 0.000 1.148 68 N HN 0.037 nan 8.380 nan 0.000 0.511 69 L N 0.797 121.726 121.223 -0.490 0.000 2.333 69 L HA 0.682 5.022 4.340 0.001 0.000 0.280 69 L C -1.765 174.610 176.870 -0.825 0.000 1.004 69 L CA -0.581 53.972 54.840 -0.477 0.000 0.820 69 L CB 0.934 42.786 42.059 -0.345 0.000 1.247 69 L HN -0.055 nan 8.230 nan 0.000 0.416 70 F N 4.352 124.071 119.950 -0.386 0.000 2.576 70 F HA 0.613 5.140 4.527 0.001 0.000 0.313 70 F C -0.882 174.581 175.800 -0.561 0.000 1.078 70 F CA -0.425 57.397 58.000 -0.296 0.000 0.921 70 F CB 1.932 40.849 39.000 -0.137 0.000 1.232 70 F HN 0.180 nan 8.300 nan 0.000 0.459 71 F N 1.213 121.245 119.950 0.137 0.000 2.493 71 F HA 0.633 5.161 4.527 0.001 0.000 0.329 71 F C 0.045 175.904 175.800 0.099 0.000 1.126 71 F CA -0.634 57.402 58.000 0.060 0.000 0.937 71 F CB 2.100 41.129 39.000 0.048 0.000 1.146 71 F HN 0.354 nan 8.300 nan 0.000 0.442 72 S N 0.202 116.028 115.700 0.209 0.000 2.556 72 S HA 0.433 4.903 4.470 0.001 0.000 0.271 72 S C 0.381 175.052 174.600 0.118 0.000 1.135 72 S CA -0.246 58.040 58.200 0.144 0.000 0.858 72 S CB 1.451 64.701 63.200 0.083 0.000 1.114 72 S HN 0.743 nan 8.310 nan 0.000 0.468 73 T N 0.159 114.772 114.554 0.099 0.000 3.107 73 T HA 0.169 4.519 4.350 0.001 0.000 0.249 73 T C 0.563 175.297 174.700 0.057 0.000 1.096 73 T CA 0.039 62.187 62.100 0.080 0.000 1.012 73 T CB -0.428 68.485 68.868 0.075 0.000 0.977 73 T HN 0.407 nan 8.240 nan 0.000 0.527 74 N N 1.623 120.351 118.700 0.046 0.000 2.895 74 N HA 0.224 4.965 4.740 0.001 0.000 0.277 74 N C 0.741 176.263 175.510 0.021 0.000 1.185 74 N CA -0.459 52.607 53.050 0.027 0.000 1.106 74 N CB -0.607 37.889 38.487 0.014 0.000 1.422 74 N HN 0.440 nan 8.380 nan 0.000 0.521 75 I N 0.609 121.197 120.570 0.029 0.000 2.252 75 I HA -0.228 3.942 4.170 0.001 0.000 0.245 75 I C 1.331 177.457 176.117 0.015 0.000 1.102 75 I CA 0.790 62.107 61.300 0.028 0.000 1.385 75 I CB 0.051 38.076 38.000 0.041 0.000 1.064 75 I HN 0.283 nan 8.210 nan 0.000 0.414 76 D N 0.950 121.357 120.400 0.012 0.000 2.097 76 D HA -0.184 4.456 4.640 0.001 0.000 0.195 76 D C 1.771 178.066 176.300 -0.009 0.000 0.989 76 D CA 1.360 55.362 54.000 0.003 0.000 0.827 76 D CB -0.376 40.426 40.800 0.004 0.000 0.966 76 D HN 0.277 nan 8.370 nan 0.000 0.456 77 D N 0.137 120.530 120.400 -0.012 0.000 2.183 77 D HA -0.013 4.627 4.640 0.001 0.000 0.203 77 D C 1.997 178.277 176.300 -0.034 0.000 0.969 77 D CA 1.003 54.987 54.000 -0.025 0.000 0.842 77 D CB -0.277 40.505 40.800 -0.031 0.000 0.957 77 D HN 0.120 nan 8.370 nan 0.000 0.484 78 A N 0.668 123.471 122.820 -0.028 0.000 1.902 78 A HA -0.150 4.170 4.320 0.001 0.000 0.217 78 A C 2.326 179.893 177.584 -0.028 0.000 1.181 78 A CA 0.954 52.972 52.037 -0.032 0.000 0.623 78 A CB -0.708 18.280 19.000 -0.019 0.000 0.818 78 A HN 0.190 nan 8.150 nan 0.000 0.443 79 I N -0.589 119.970 120.570 -0.020 0.000 2.142 79 I HA -0.283 3.887 4.170 0.001 0.000 0.240 79 I C 2.477 178.571 176.117 -0.039 0.000 1.078 79 I CA 1.689 62.973 61.300 -0.027 0.000 1.343 79 I CB -0.325 37.663 38.000 -0.020 0.000 1.046 79 I HN 0.273 nan 8.210 nan 0.000 0.405 80 K N 0.401 120.780 120.400 -0.035 0.000 2.059 80 K HA -0.212 4.108 4.320 0.001 0.000 0.212 80 K C 2.043 178.623 176.600 -0.033 0.000 1.050 80 K CA 2.048 58.313 56.287 -0.036 0.000 0.927 80 K CB -0.167 32.315 32.500 -0.030 0.000 0.714 80 K HN 0.204 nan 8.250 nan 0.000 0.447 81 E N -0.370 119.810 120.200 -0.034 0.000 2.442 81 E HA 0.161 4.511 4.350 0.001 0.000 0.195 81 E C 0.231 176.819 176.600 -0.020 0.000 1.030 81 E CA 0.283 56.666 56.400 -0.029 0.000 0.869 81 E CB 0.519 30.193 29.700 -0.044 0.000 0.857 81 E HN 0.418 nan 8.360 nan 0.000 0.505 82 A N 1.499 124.303 122.820 -0.026 0.000 2.440 82 A HA 0.186 4.507 4.320 0.001 0.000 0.251 82 A C 0.674 178.258 177.584 0.000 0.000 1.089 82 A CA -0.191 51.833 52.037 -0.023 0.000 0.779 82 A CB 0.217 19.192 19.000 -0.041 0.000 1.022 82 A HN 0.099 nan 8.150 nan 0.000 0.492 83 D N 0.313 120.738 120.400 0.042 0.000 2.183 83 D HA 0.065 4.705 4.640 0.001 0.000 0.205 83 D C 0.107 176.430 176.300 0.039 0.000 0.962 83 D CA 1.080 55.167 54.000 0.145 0.000 0.849 83 D CB 0.070 41.036 40.800 0.278 0.000 0.978 83 D HN 0.370 nan 8.370 nan 0.000 0.488 84 L N 0.676 121.873 121.223 -0.044 0.000 2.385 84 L HA 0.395 4.735 4.340 0.001 0.000 0.273 84 L C -1.405 175.338 176.870 -0.213 0.000 0.990 84 L CA -0.710 54.028 54.840 -0.171 0.000 0.821 84 L CB 2.405 44.323 42.059 -0.236 0.000 1.279 84 L HN -0.341 nan 8.230 nan 0.000 0.412 85 V N 5.254 125.030 119.914 -0.230 0.000 2.407 85 V HA 0.442 4.562 4.120 0.001 0.000 0.291 85 V C -0.538 175.463 176.094 -0.155 0.000 1.018 85 V CA -0.409 61.809 62.300 -0.137 0.000 0.842 85 V CB 1.212 33.002 31.823 -0.054 0.000 0.996 85 V HN 0.513 nan 8.190 nan 0.000 0.426 86 F N 4.593 124.555 119.950 0.020 0.000 2.410 86 F HA 0.529 5.056 4.527 0.001 0.000 0.348 86 F C 0.489 176.310 175.800 0.035 0.000 1.106 86 F CA -0.658 57.361 58.000 0.031 0.000 1.163 86 F CB 1.098 40.114 39.000 0.026 0.000 1.129 86 F HN 0.280 nan 8.300 nan 0.000 0.516 87 I N 2.913 123.636 120.570 0.254 0.000 2.307 87 I HA 0.205 4.375 4.170 0.001 0.000 0.289 87 I C 0.074 176.276 176.117 0.142 0.000 1.021 87 I CA 0.081 61.480 61.300 0.166 0.000 1.224 87 I CB 0.752 38.828 38.000 0.127 0.000 1.376 87 I HN 0.498 nan 8.210 nan 0.000 0.470 88 S N 4.901 120.664 115.700 0.105 0.000 2.835 88 S HA 0.161 4.632 4.470 0.001 0.000 0.248 88 S C 0.075 174.704 174.600 0.048 0.000 1.070 88 S CA -0.546 57.687 58.200 0.055 0.000 1.090 88 S CB 0.324 63.532 63.200 0.014 0.000 0.978 88 S HN 0.480 nan 8.310 nan 0.000 0.510 89 V N 0.741 120.690 119.914 0.058 0.000 3.214 89 V HA 0.539 4.659 4.120 0.001 0.000 0.306 89 V C 0.222 176.322 176.094 0.008 0.000 1.078 89 V CA -1.226 61.092 62.300 0.031 0.000 1.077 89 V CB 0.406 32.271 31.823 0.071 0.000 1.121 89 V HN 0.538 nan 8.190 nan 0.000 0.468 90 N N 1.068 119.721 118.700 -0.080 0.000 2.508 90 N HA 0.186 4.926 4.740 0.001 0.000 0.264 90 N C 0.048 175.584 175.510 0.043 0.000 1.216 90 N CA 0.305 53.314 53.050 -0.068 0.000 0.943 90 N CB 0.892 39.281 38.487 -0.163 0.000 1.113 90 N HN 1.063 nan 8.380 nan 0.000 0.447 91 T N -3.129 111.461 114.554 0.060 0.000 3.504 91 T HA 0.320 4.670 4.350 0.001 0.000 0.286 91 T C -2.691 172.051 174.700 0.070 0.000 1.530 91 T CA -1.380 60.779 62.100 0.098 0.000 1.652 91 T CB 0.653 69.561 68.868 0.066 0.000 0.895 91 T HN 0.389 nan 8.240 nan 0.000 0.674 92 P HA 0.247 nan 4.420 nan 0.000 0.274 92 P C 0.010 177.332 177.300 0.036 0.000 1.246 92 P CA -0.057 63.083 63.100 0.066 0.000 0.795 92 P CB 0.542 32.304 31.700 0.103 0.000 1.006 93 T N 1.702 116.263 114.554 0.011 0.000 2.928 93 T HA 0.056 4.406 4.350 0.001 0.000 0.305 93 T C 0.582 175.243 174.700 -0.065 0.000 1.035 93 T CA -0.050 62.029 62.100 -0.035 0.000 1.145 93 T CB -0.084 68.773 68.868 -0.019 0.000 0.963 93 T HN 0.235 nan 8.240 nan 0.000 0.545 94 K N 2.280 122.575 120.400 -0.175 0.000 2.451 94 K HA 0.071 4.391 4.320 0.001 0.000 0.280 94 K C 1.311 177.775 176.600 -0.226 0.000 1.020 94 K CA 0.049 56.134 56.287 -0.336 0.000 1.008 94 K CB 0.351 32.523 32.500 -0.546 0.000 0.917 94 K HN 0.740 nan 8.250 nan 0.000 0.478 95 T N -0.070 114.416 114.554 -0.112 0.000 3.186 95 T HA 0.135 4.486 4.350 0.001 0.000 0.257 95 T C -0.347 174.440 174.700 0.144 0.000 1.029 95 T CA -0.366 61.767 62.100 0.054 0.000 0.916 95 T CB -0.467 68.488 68.868 0.146 0.000 1.041 95 T HN 0.572 nan 8.240 nan 0.000 0.562 96 Y N -2.675 117.618 120.300 -0.012 0.000 2.656 96 Y HA 0.675 5.225 4.550 0.001 0.000 0.334 96 Y C 0.648 176.536 175.900 -0.019 0.000 1.179 96 Y CA -1.280 56.814 58.100 -0.011 0.000 1.050 96 Y CB 0.749 39.203 38.460 -0.010 0.000 1.308 96 Y HN 0.334 nan 8.280 nan 0.000 0.456 97 G N 1.656 110.536 108.800 0.134 0.000 2.564 97 G HA2 -0.216 3.744 3.960 0.001 0.000 0.273 97 G HA3 -0.216 3.744 3.960 0.001 0.000 0.273 97 G C -0.419 174.468 174.900 -0.023 0.000 1.242 97 G CA -0.011 45.134 45.100 0.075 0.000 0.951 97 G HN 0.803 nan 8.290 nan 0.000 0.564 98 M N 1.956 121.540 119.600 -0.027 0.000 2.246 98 M HA 0.382 4.862 4.480 0.001 0.000 0.350 98 M C 1.616 177.850 176.300 -0.110 0.000 1.406 98 M CA 1.509 56.798 55.300 -0.018 0.000 1.089 98 M CB -0.452 32.161 32.600 0.022 0.000 1.782 98 M HN 2.426 nan 8.290 nan 0.000 0.457 99 G N 2.940 111.699 108.800 -0.068 0.000 2.136 99 G HA2 -0.266 3.695 3.960 0.001 0.000 0.242 99 G HA3 -0.266 3.695 3.960 0.001 0.000 0.242 99 G C 0.268 175.030 174.900 -0.231 0.000 0.989 99 G CA 0.452 45.418 45.100 -0.224 0.000 0.682 99 G HN 0.754 nan 8.290 nan 0.000 0.522 100 K N 0.322 120.636 120.400 -0.144 0.000 2.511 100 K HA 0.351 4.672 4.320 0.001 0.000 0.280 100 K C 1.668 178.223 176.600 -0.075 0.000 1.008 100 K CA 1.214 57.426 56.287 -0.125 0.000 1.050 100 K CB -0.369 32.099 32.500 -0.052 0.000 0.889 100 K HN 1.552 nan 8.250 nan 0.000 0.484 101 G N 3.653 112.408 108.800 -0.075 0.000 2.184 101 G HA2 -0.312 3.648 3.960 0.001 0.000 0.264 101 G HA3 -0.312 3.648 3.960 0.001 0.000 0.264 101 G C 0.632 175.516 174.900 -0.026 0.000 0.975 101 G CA 0.746 45.829 45.100 -0.028 0.000 0.642 101 G HN 0.774 nan 8.290 nan 0.000 0.536 102 R N -0.498 119.952 120.500 -0.083 0.000 3.372 102 R HA 0.576 4.916 4.340 0.001 0.000 0.150 102 R C 1.415 177.607 176.300 -0.181 0.000 0.739 102 R CA 0.281 56.347 56.100 -0.057 0.000 1.041 102 R CB -0.164 30.167 30.300 0.052 0.000 1.530 102 R HN 0.647 nan 8.270 nan 0.000 0.534 103 A N 1.840 124.366 122.820 -0.490 0.000 2.425 103 A HA 0.592 4.913 4.320 0.001 0.000 0.242 103 A C 0.124 177.524 177.584 -0.305 0.000 1.077 103 A CA -0.038 51.608 52.037 -0.652 0.000 0.781 103 A CB 0.191 18.522 19.000 -1.115 0.000 1.020 103 A HN 0.412 nan 8.150 nan 0.000 0.494 104 A N 1.351 124.056 122.820 -0.191 0.000 2.425 104 A HA 0.428 4.749 4.320 0.001 0.000 0.249 104 A C 0.063 177.581 177.584 -0.110 0.000 1.084 104 A CA -0.180 51.799 52.037 -0.096 0.000 0.781 104 A CB 0.064 19.047 19.000 -0.030 0.000 1.019 104 A HN 0.794 nan 8.150 nan 0.000 0.490 105 D N 2.176 122.540 120.400 -0.060 0.000 2.347 105 D HA 0.333 4.974 4.640 0.001 0.000 0.235 105 D C 0.320 176.633 176.300 0.022 0.000 1.149 105 D CA -0.022 53.952 54.000 -0.044 0.000 0.850 105 D CB 0.631 41.435 40.800 0.007 0.000 1.061 105 D HN 0.417 nan 8.370 nan 0.000 0.487 106 L N 4.111 125.328 121.223 -0.009 0.000 2.700 106 L HA 0.094 4.434 4.340 0.001 0.000 0.234 106 L C 2.224 179.086 176.870 -0.014 0.000 1.156 106 L CA -0.176 54.673 54.840 0.015 0.000 0.946 106 L CB 0.036 42.098 42.059 0.005 0.000 1.216 106 L HN 0.376 nan 8.230 nan 0.000 0.493 107 K N -0.178 120.162 120.400 -0.100 0.000 2.152 107 K HA -0.203 4.117 4.320 0.001 0.000 0.206 107 K C 1.544 178.028 176.600 -0.192 0.000 1.048 107 K CA 1.598 57.772 56.287 -0.187 0.000 0.933 107 K CB -0.410 31.913 32.500 -0.294 0.000 0.721 107 K HN 0.157 nan 8.250 nan 0.000 0.447 108 Y N 1.673 122.003 120.300 0.049 0.000 2.220 108 Y HA -0.057 4.494 4.550 0.001 0.000 0.291 108 Y C 2.410 178.336 175.900 0.044 0.000 1.129 108 Y CA 0.465 58.594 58.100 0.049 0.000 1.161 108 Y CB -0.252 38.239 38.460 0.052 0.000 0.997 108 Y HN -0.056 nan 8.280 nan 0.000 0.522 109 I N 0.385 121.060 120.570 0.175 0.000 2.127 109 I HA -0.307 3.864 4.170 0.001 0.000 0.241 109 I C 2.417 178.573 176.117 0.065 0.000 1.075 109 I CA 1.994 63.356 61.300 0.104 0.000 1.334 109 I CB -1.121 36.921 38.000 0.070 0.000 1.040 109 I HN 0.272 nan 8.210 nan 0.000 0.405 110 E N 1.338 121.560 120.200 0.036 0.000 2.085 110 E HA -0.208 4.142 4.350 0.001 0.000 0.194 110 E C 2.196 178.819 176.600 0.039 0.000 0.994 110 E CA 1.883 58.294 56.400 0.017 0.000 0.801 110 E CB -0.134 29.565 29.700 -0.002 0.000 0.743 110 E HN 0.414 nan 8.360 nan 0.000 0.453 111 A N -0.045 122.804 122.820 0.049 0.000 1.933 111 A HA -0.195 4.125 4.320 0.001 0.000 0.218 111 A C 2.524 180.159 177.584 0.086 0.000 1.175 111 A CA 1.467 53.543 52.037 0.064 0.000 0.628 111 A CB -0.971 18.074 19.000 0.074 0.000 0.814 111 A HN 0.545 nan 8.150 nan 0.000 0.444 112 C N -1.100 118.261 119.300 0.102 0.000 2.432 112 C HA 0.060 4.520 4.460 0.001 0.000 0.277 112 C C 3.329 178.394 174.990 0.126 0.000 1.249 112 C CA 0.753 59.836 59.018 0.109 0.000 1.725 112 C CB -1.360 26.449 27.740 0.115 0.000 2.028 112 C HN 0.713 nan 8.230 nan 0.000 0.477 113 A N 0.798 123.689 122.820 0.118 0.000 1.883 113 A HA -0.186 4.135 4.320 0.001 0.000 0.217 113 A C 2.271 179.994 177.584 0.232 0.000 1.186 113 A CA 1.503 53.641 52.037 0.168 0.000 0.624 113 A CB -0.464 18.537 19.000 0.001 0.000 0.822 113 A HN 0.577 nan 8.150 nan 0.000 0.444 114 R N -0.800 119.780 120.500 0.133 0.000 2.081 114 R HA -0.099 4.241 4.340 0.001 0.000 0.235 114 R C 2.343 178.702 176.300 0.098 0.000 1.131 114 R CA 1.617 57.784 56.100 0.113 0.000 0.960 114 R CB -0.608 29.733 30.300 0.069 0.000 0.856 114 R HN 0.636 nan 8.270 nan 0.000 0.436 115 R N 0.694 121.247 120.500 0.088 0.000 2.075 115 R HA -0.012 4.328 4.340 0.001 0.000 0.232 115 R C 2.374 178.704 176.300 0.049 0.000 1.126 115 R CA 0.983 57.120 56.100 0.063 0.000 0.963 115 R CB -0.220 30.117 30.300 0.062 0.000 0.858 115 R HN 0.112 nan 8.270 nan 0.000 0.435 116 I N -0.426 120.188 120.570 0.074 0.000 2.127 116 I HA -0.305 3.865 4.170 0.001 0.000 0.241 116 I C 2.342 178.419 176.117 -0.066 0.000 1.075 116 I CA 1.314 62.624 61.300 0.016 0.000 1.334 116 I CB -0.402 37.638 38.000 0.068 0.000 1.040 116 I HN 0.095 nan 8.210 nan 0.000 0.405 117 V N 0.400 120.296 119.914 -0.029 0.000 2.407 117 V HA -0.336 3.785 4.120 0.001 0.000 0.248 117 V C 2.394 178.456 176.094 -0.053 0.000 1.055 117 V CA 2.046 64.285 62.300 -0.101 0.000 1.049 117 V CB -0.359 31.488 31.823 0.040 0.000 0.662 117 V HN 0.490 nan 8.190 nan 0.000 0.455 118 Q N -0.168 119.628 119.800 -0.006 0.000 2.124 118 Q HA -0.139 4.202 4.340 0.001 0.000 0.202 118 Q C 1.572 177.560 176.000 -0.021 0.000 0.977 118 Q CA 1.795 57.595 55.803 -0.005 0.000 0.850 118 Q CB -0.135 28.611 28.738 0.013 0.000 0.901 118 Q HN 0.631 nan 8.270 nan 0.000 0.429 119 N N -0.444 118.239 118.700 -0.029 0.000 2.203 119 N HA 0.116 4.857 4.740 0.001 0.000 0.207 119 N C -0.648 174.830 175.510 -0.054 0.000 1.130 119 N CA 0.109 53.139 53.050 -0.033 0.000 0.861 119 N CB 1.064 39.540 38.487 -0.020 0.000 1.005 119 N HN -0.054 nan 8.380 nan 0.000 0.507 120 S N 0.661 116.311 115.700 -0.084 0.000 2.509 120 S HA 0.458 4.928 4.470 0.001 0.000 0.297 120 S C -0.224 174.317 174.600 -0.097 0.000 1.118 120 S CA -0.672 57.461 58.200 -0.111 0.000 1.074 120 S CB 1.781 64.868 63.200 -0.189 0.000 1.038 120 S HN 0.147 nan 8.310 nan 0.000 0.498 121 N N 0.294 118.945 118.700 -0.081 0.000 2.455 121 N HA 0.670 5.410 4.740 0.001 0.000 0.278 121 N C 0.266 175.744 175.510 -0.054 0.000 1.291 121 N CA 0.183 53.195 53.050 -0.063 0.000 0.780 121 N CB 1.945 40.409 38.487 -0.038 0.000 1.520 121 N HN 0.866 nan 8.380 nan 0.000 0.486 122 G N 0.367 109.146 108.800 -0.035 0.000 2.601 122 G HA2 -0.309 3.651 3.960 0.001 0.000 0.252 122 G HA3 -0.309 3.651 3.960 0.001 0.000 0.252 122 G C -0.807 174.091 174.900 -0.003 0.000 1.294 122 G CA -0.134 44.967 45.100 0.001 0.000 0.912 122 G HN 0.575 nan 8.290 nan 0.000 0.574 123 Y N 2.369 122.603 120.300 -0.110 0.000 2.336 123 Y HA 0.624 5.175 4.550 0.001 0.000 0.335 123 Y C 0.684 176.476 175.900 -0.182 0.000 1.046 123 Y CA 0.200 58.192 58.100 -0.180 0.000 1.198 123 Y CB 0.597 38.900 38.460 -0.261 0.000 1.182 123 Y HN 0.569 nan 8.280 nan 0.000 0.502 124 K N 6.653 126.649 120.400 -0.675 0.000 2.508 124 K HA 0.519 4.840 4.320 0.001 0.000 0.260 124 K C -1.632 174.527 176.600 -0.735 0.000 0.949 124 K CA -0.904 55.042 56.287 -0.568 0.000 0.834 124 K CB 2.478 34.794 32.500 -0.306 0.000 1.365 124 K HN 0.567 nan 8.250 nan 0.000 0.437 125 I N 2.130 122.403 120.570 -0.494 0.000 2.339 125 I HA 0.226 4.397 4.170 0.001 0.000 0.290 125 I C -0.593 175.398 176.117 -0.209 0.000 0.994 125 I CA -1.085 60.011 61.300 -0.340 0.000 1.191 125 I CB 1.630 39.498 38.000 -0.221 0.000 1.343 125 I HN 0.147 nan 8.210 nan 0.000 0.458 126 V N 5.456 125.305 119.914 -0.108 0.000 2.350 126 V HA 0.339 4.459 4.120 0.001 0.000 0.276 126 V C 0.096 176.192 176.094 0.004 0.000 1.028 126 V CA -0.289 62.007 62.300 -0.007 0.000 0.860 126 V CB 1.372 33.314 31.823 0.198 0.000 0.990 126 V HN 0.715 nan 8.190 nan 0.000 0.453 127 T N 4.285 118.822 114.554 -0.028 0.000 2.791 127 T HA 0.287 4.638 4.350 0.001 0.000 0.288 127 T C -0.173 174.622 174.700 0.158 0.000 0.999 127 T CA -0.364 61.759 62.100 0.037 0.000 0.952 127 T CB 1.102 69.946 68.868 -0.040 0.000 0.938 127 T HN 0.768 nan 8.240 nan 0.000 0.444 128 E N 2.790 123.063 120.200 0.122 0.000 2.003 128 E HA 0.153 4.504 4.350 0.001 0.000 0.279 128 E C 0.995 177.667 176.600 0.120 0.000 1.132 128 E CA -0.125 56.342 56.400 0.112 0.000 0.888 128 E CB 0.415 30.151 29.700 0.061 0.000 1.056 128 E HN 0.546 nan 8.360 nan 0.000 0.399 129 K N 2.259 122.745 120.400 0.144 0.000 2.308 129 K HA 0.122 4.442 4.320 0.001 0.000 0.197 129 K C 0.145 176.745 176.600 -0.001 0.000 1.049 129 K CA 0.014 56.339 56.287 0.064 0.000 0.991 129 K CB 0.428 32.946 32.500 0.029 0.000 0.836 129 K HN 0.324 nan 8.250 nan 0.000 0.500 130 S N 1.593 117.309 115.700 0.027 0.000 2.558 130 S HA -0.028 4.443 4.470 0.001 0.000 0.291 130 S C -0.271 174.326 174.600 -0.005 0.000 1.306 130 S CA 0.108 58.317 58.200 0.014 0.000 1.056 130 S CB 0.971 64.198 63.200 0.043 0.000 0.836 130 S HN 0.222 nan 8.310 nan 0.000 0.504 131 T N 3.765 118.308 114.554 -0.017 0.000 2.752 131 T HA 0.416 4.766 4.350 0.001 0.000 0.295 131 T C 0.220 174.923 174.700 0.005 0.000 0.923 131 T CA -0.454 61.632 62.100 -0.022 0.000 1.112 131 T CB -0.206 68.644 68.868 -0.029 0.000 0.884 131 T HN 0.521 nan 8.240 nan 0.000 0.525 132 V N 2.289 122.209 119.914 0.010 0.000 3.102 132 V HA 0.783 4.903 4.120 0.001 0.000 0.312 132 V C -2.871 173.240 176.094 0.029 0.000 1.135 132 V CA -3.231 59.083 62.300 0.023 0.000 1.022 132 V CB 1.478 33.318 31.823 0.029 0.000 1.056 132 V HN 0.431 nan 8.190 nan 0.000 0.436 133 P HA 0.211 nan 4.420 nan 0.000 0.270 133 P C -0.244 177.090 177.300 0.056 0.000 1.223 133 P CA -0.120 63.010 63.100 0.050 0.000 0.785 133 P CB 0.375 32.113 31.700 0.063 0.000 0.923 134 V N 4.933 124.885 119.914 0.064 0.000 2.599 134 V HA -0.011 4.109 4.120 0.001 0.000 0.300 134 V C 1.396 177.538 176.094 0.079 0.000 1.034 134 V CA 0.513 62.866 62.300 0.089 0.000 1.115 134 V CB -0.583 31.294 31.823 0.091 0.000 0.934 134 V HN 0.659 nan 8.190 nan 0.000 0.485 135 R N 1.590 122.159 120.500 0.115 0.000 3.584 135 R HA -0.200 4.141 4.340 0.001 0.000 0.488 135 R C 1.320 177.654 176.300 0.056 0.000 0.869 135 R CA 1.038 57.188 56.100 0.083 0.000 1.325 135 R CB -2.296 28.006 30.300 0.002 0.000 2.015 135 R HN 0.906 nan 8.270 nan 0.000 0.489 136 A N 0.832 123.683 122.820 0.052 0.000 1.972 136 A HA 0.117 4.438 4.320 0.001 0.000 0.219 136 A C 2.296 179.884 177.584 0.008 0.000 1.169 136 A CA 2.001 54.052 52.037 0.025 0.000 0.635 136 A CB -0.327 18.689 19.000 0.026 0.000 0.810 136 A HN 0.512 nan 8.150 nan 0.000 0.446 137 A N -0.467 122.373 122.820 0.034 0.000 1.969 137 A HA -0.153 4.167 4.320 0.001 0.000 0.218 137 A C 1.970 179.552 177.584 -0.004 0.000 1.169 137 A CA 1.626 53.669 52.037 0.012 0.000 0.635 137 A CB -0.462 18.567 19.000 0.049 0.000 0.810 137 A HN 0.668 nan 8.150 nan 0.000 0.445 138 E N 0.069 120.293 120.200 0.039 0.000 2.110 138 E HA -0.155 4.196 4.350 0.001 0.000 0.193 138 E C 2.052 178.628 176.600 -0.040 0.000 0.988 138 E CA 1.324 57.736 56.400 0.019 0.000 0.804 138 E CB -0.068 29.646 29.700 0.023 0.000 0.745 138 E HN 0.580 nan 8.360 nan 0.000 0.458 139 S N 0.458 116.127 115.700 -0.050 0.000 2.382 139 S HA -0.137 4.333 4.470 0.001 0.000 0.228 139 S C 1.926 176.433 174.600 -0.154 0.000 1.027 139 S CA 1.024 59.179 58.200 -0.076 0.000 0.991 139 S CB -0.178 62.991 63.200 -0.052 0.000 0.823 139 S HN 0.298 nan 8.310 nan 0.000 0.469 140 I N 1.128 121.561 120.570 -0.228 0.000 2.252 140 I HA -0.183 3.988 4.170 0.001 0.000 0.245 140 I C 2.617 178.322 176.117 -0.687 0.000 1.102 140 I CA 1.117 62.115 61.300 -0.504 0.000 1.385 140 I CB -0.310 37.388 38.000 -0.504 0.000 1.064 140 I HN 0.164 nan 8.210 nan 0.000 0.414 141 R N 0.219 120.509 120.500 -0.350 0.000 2.091 141 R HA -0.153 4.187 4.340 0.001 0.000 0.238 141 R C 2.678 178.933 176.300 -0.075 0.000 1.136 141 R CA 1.486 57.491 56.100 -0.158 0.000 0.959 141 R CB -0.418 29.865 30.300 -0.028 0.000 0.856 141 R HN 0.166 nan 8.270 nan 0.000 0.437 142 R N 0.419 120.870 120.500 -0.081 0.000 2.081 142 R HA -0.004 4.336 4.340 0.001 0.000 0.235 142 R C 2.302 178.592 176.300 -0.016 0.000 1.131 142 R CA 1.442 57.523 56.100 -0.032 0.000 0.960 142 R CB -1.002 29.277 30.300 -0.034 0.000 0.856 142 R HN 0.357 nan 8.270 nan 0.000 0.436 143 I N -0.501 120.027 120.570 -0.071 0.000 2.179 143 I HA -0.212 3.958 4.170 0.001 0.000 0.242 143 I C 2.204 178.420 176.117 0.165 0.000 1.088 143 I CA 1.803 63.104 61.300 0.001 0.000 1.357 143 I CB -0.429 37.538 38.000 -0.055 0.000 1.051 143 I HN 0.228 nan 8.210 nan 0.000 0.409 144 F N 0.997 120.946 119.950 -0.002 0.000 2.075 144 F HA -0.255 4.273 4.527 0.000 0.000 0.297 144 F C 2.407 178.204 175.800 -0.006 0.000 1.113 144 F CA 0.587 58.582 58.000 -0.009 0.000 1.218 144 F CB -0.400 38.590 39.000 -0.017 0.000 0.984 144 F HN 0.129 nan 8.300 nan 0.000 0.472 145 D N 0.612 121.128 120.400 0.194 0.000 2.182 145 D HA -0.154 4.487 4.640 0.001 0.000 0.201 145 D C 2.103 178.447 176.300 0.074 0.000 0.986 145 D CA 1.245 55.307 54.000 0.104 0.000 0.847 145 D CB -0.425 40.418 40.800 0.071 0.000 0.942 145 D HN 0.229 nan 8.370 nan 0.000 0.467 146 A N 0.185 123.049 122.820 0.073 0.000 2.119 146 A HA -0.042 4.278 4.320 0.001 0.000 0.216 146 A C 1.163 178.778 177.584 0.052 0.000 1.152 146 A CA 0.606 52.674 52.037 0.052 0.000 0.708 146 A CB 0.057 19.082 19.000 0.042 0.000 0.805 146 A HN 0.112 nan 8.150 nan 0.000 0.460 147 N N 0.136 118.879 118.700 0.072 0.000 2.599 147 N HA 0.071 4.811 4.740 0.001 0.000 0.309 147 N C -0.467 175.062 175.510 0.033 0.000 1.743 147 N CA 0.030 53.112 53.050 0.054 0.000 0.918 147 N CB 0.765 39.294 38.487 0.070 0.000 1.339 147 N HN 0.218 nan 8.380 nan 0.000 0.493 148 T N 0.818 115.388 114.554 0.027 0.000 2.860 148 T HA 0.246 4.596 4.350 0.001 0.000 0.299 148 T C -0.025 174.672 174.700 -0.005 0.000 1.045 148 T CA 0.384 62.488 62.100 0.007 0.000 1.071 148 T CB 0.734 69.611 68.868 0.014 0.000 0.985 148 T HN 0.197 nan 8.240 nan 0.000 0.537 149 K N 2.880 123.269 120.400 -0.018 0.000 2.480 149 K HA 0.505 4.826 4.320 0.001 0.000 0.258 149 K C -2.881 173.710 176.600 -0.015 0.000 0.990 149 K CA -2.186 54.091 56.287 -0.017 0.000 0.857 149 K CB 1.148 33.633 32.500 -0.026 0.000 1.384 149 K HN 0.288 nan 8.250 nan 0.000 0.446 150 P HA 0.020 nan 4.420 nan 0.000 0.261 150 P C -0.628 176.666 177.300 -0.011 0.000 1.183 150 P CA 0.399 63.494 63.100 -0.008 0.000 0.761 150 P CB 0.170 31.866 31.700 -0.006 0.000 0.785 151 N N -0.863 117.833 118.700 -0.008 0.000 2.936 151 N HA -0.191 4.549 4.740 0.001 0.000 0.236 151 N C -0.170 175.333 175.510 -0.012 0.000 0.930 151 N CA 0.613 53.660 53.050 -0.006 0.000 0.966 151 N CB -1.536 36.949 38.487 -0.004 0.000 1.090 151 N HN 0.318 nan 8.380 nan 0.000 0.592 152 L N 1.920 123.126 121.223 -0.028 0.000 2.313 152 L HA 0.474 4.814 4.340 0.001 0.000 0.282 152 L C 0.119 176.955 176.870 -0.056 0.000 1.092 152 L CA -0.100 54.705 54.840 -0.058 0.000 0.831 152 L CB 0.640 42.649 42.059 -0.082 0.000 1.159 152 L HN 0.135 nan 8.230 nan 0.000 0.442 153 N N 5.601 124.261 118.700 -0.067 0.000 2.609 153 N HA 0.323 5.063 4.740 0.001 0.000 0.268 153 N C -1.814 173.582 175.510 -0.191 0.000 1.106 153 N CA -0.329 52.691 53.050 -0.050 0.000 0.823 153 N CB 0.519 39.053 38.487 0.078 0.000 1.263 153 N HN 0.611 nan 8.380 nan 0.000 0.533 154 L N 2.239 123.329 121.223 -0.222 0.000 2.272 154 L HA 0.460 4.800 4.340 0.001 0.000 0.289 154 L C 0.198 176.993 176.870 -0.124 0.000 1.032 154 L CA -0.749 53.907 54.840 -0.307 0.000 0.810 154 L CB 1.371 43.093 42.059 -0.561 0.000 1.205 154 L HN 0.255 nan 8.230 nan 0.000 0.422 155 Q N 2.929 122.606 119.800 -0.204 0.000 2.241 155 Q HA 0.474 4.814 4.340 0.001 0.000 0.254 155 Q C -0.731 175.270 176.000 0.002 0.000 0.917 155 Q CA -0.556 55.202 55.803 -0.074 0.000 0.919 155 Q CB 2.930 31.597 28.738 -0.118 0.000 1.237 155 Q HN 0.331 nan 8.270 nan 0.000 0.434 156 V N 4.456 124.405 119.914 0.059 0.000 2.384 156 V HA 0.479 4.600 4.120 0.001 0.000 0.287 156 V C 0.028 176.139 176.094 0.028 0.000 1.020 156 V CA -0.479 61.860 62.300 0.065 0.000 0.850 156 V CB 1.238 33.094 31.823 0.055 0.000 0.987 156 V HN 0.564 nan 8.190 nan 0.000 0.436 157 L N 2.987 124.224 121.223 0.023 0.000 2.303 157 L HA 0.718 5.059 4.340 0.001 0.000 0.266 157 L C 0.072 176.964 176.870 0.037 0.000 1.011 157 L CA -0.541 54.312 54.840 0.022 0.000 0.818 157 L CB 2.227 44.302 42.059 0.027 0.000 1.326 157 L HN 0.615 nan 8.230 nan 0.000 0.435 158 S N 0.887 116.604 115.700 0.029 0.000 2.454 158 S HA 0.397 4.867 4.470 0.001 0.000 0.306 158 S C -0.736 173.896 174.600 0.054 0.000 1.100 158 S CA -0.589 57.633 58.200 0.036 0.000 1.087 158 S CB 0.736 63.940 63.200 0.008 0.000 1.019 158 S HN 0.734 nan 8.310 nan 0.000 0.480 159 N N 4.823 123.569 118.700 0.077 0.000 2.722 159 N HA 0.310 5.050 4.740 0.001 0.000 0.242 159 N C -3.063 172.440 175.510 -0.010 0.000 1.398 159 N CA -1.448 51.654 53.050 0.087 0.000 0.755 159 N CB 1.088 39.728 38.487 0.255 0.000 1.268 159 N HN 0.343 nan 8.380 nan 0.000 0.522 160 P HA 0.057 nan 4.420 nan 0.000 0.269 160 P C -0.576 176.404 177.300 -0.533 0.000 1.215 160 P CA 0.184 63.092 63.100 -0.319 0.000 0.780 160 P CB 0.785 32.241 31.700 -0.406 0.000 0.898 161 E N 0.958 120.848 120.200 -0.517 0.000 2.204 161 E HA 0.373 4.724 4.350 0.001 0.000 0.276 161 E C -0.918 175.316 176.600 -0.610 0.000 0.974 161 E CA -0.253 55.894 56.400 -0.422 0.000 0.815 161 E CB 0.266 29.854 29.700 -0.187 0.000 1.119 161 E HN 0.265 nan 8.360 nan 0.000 0.393 162 F N 2.766 122.711 119.950 -0.008 0.000 2.706 162 F HA 0.225 4.753 4.527 0.001 0.000 0.313 162 F C 0.084 175.894 175.800 0.017 0.000 1.096 162 F CA -0.596 57.403 58.000 -0.002 0.000 1.219 162 F CB -0.154 38.830 39.000 -0.026 0.000 1.051 162 F HN 0.347 nan 8.300 nan 0.000 0.568 163 L N 0.563 121.871 121.223 0.141 0.000 2.483 163 L HA 0.566 4.907 4.340 0.001 0.000 0.276 163 L C 0.071 177.005 176.870 0.107 0.000 1.213 163 L CA -0.762 54.149 54.840 0.118 0.000 0.843 163 L CB -0.182 41.933 42.059 0.094 0.000 1.107 163 L HN 0.025 nan 8.230 nan 0.000 0.487 164 A N 2.457 125.341 122.820 0.107 0.000 2.305 164 A HA 0.521 4.842 4.320 0.001 0.000 0.322 164 A C -0.007 177.632 177.584 0.093 0.000 1.187 164 A CA -0.704 51.393 52.037 0.101 0.000 0.825 164 A CB 0.156 19.228 19.000 0.120 0.000 1.164 164 A HN 0.861 nan 8.150 nan 0.000 0.498 165 E N 0.292 120.562 120.200 0.116 0.000 2.415 165 E HA 0.352 4.702 4.350 0.001 0.000 0.262 165 E C 1.223 177.828 176.600 0.009 0.000 1.038 165 E CA 1.105 57.573 56.400 0.114 0.000 0.921 165 E CB 0.417 30.228 29.700 0.185 0.000 0.950 165 E HN 1.279 nan 8.360 nan 0.000 0.438 166 G N 1.894 110.686 108.800 -0.013 0.000 2.299 166 G HA2 -0.331 3.629 3.960 0.001 0.000 0.237 166 G HA3 -0.331 3.629 3.960 0.001 0.000 0.237 166 G C 0.810 175.685 174.900 -0.042 0.000 1.027 166 G CA 0.616 45.674 45.100 -0.070 0.000 0.619 166 G HN 0.674 nan 8.290 nan 0.000 0.513 167 T N -2.748 111.803 114.554 -0.004 0.000 3.337 167 T HA 0.720 5.070 4.350 0.001 0.000 0.299 167 T C 1.866 176.585 174.700 0.032 0.000 0.998 167 T CA 1.296 63.403 62.100 0.012 0.000 0.948 167 T CB 0.610 69.495 68.868 0.029 0.000 1.170 167 T HN 1.435 nan 8.240 nan 0.000 0.508 168 A N 2.497 125.339 122.820 0.037 0.000 1.873 168 A HA -0.001 4.320 4.320 0.001 0.000 0.218 168 A C 2.159 179.771 177.584 0.047 0.000 1.193 168 A CA 1.536 53.608 52.037 0.058 0.000 0.629 168 A CB -0.666 18.379 19.000 0.074 0.000 0.826 168 A HN 0.493 nan 8.150 nan 0.000 0.447 169 I N 0.137 120.718 120.570 0.018 0.000 2.179 169 I HA -0.227 3.943 4.170 0.001 0.000 0.242 169 I C 3.052 179.185 176.117 0.027 0.000 1.088 169 I CA 2.070 63.373 61.300 0.005 0.000 1.357 169 I CB -1.719 36.261 38.000 -0.033 0.000 1.051 169 I HN 0.503 nan 8.210 nan 0.000 0.409 170 K N 0.689 121.107 120.400 0.029 0.000 2.032 170 K HA -0.219 4.101 4.320 0.001 0.000 0.209 170 K C 1.784 178.430 176.600 0.076 0.000 1.048 170 K CA 2.096 58.411 56.287 0.047 0.000 0.927 170 K CB -1.199 31.324 32.500 0.038 0.000 0.712 170 K HN 0.374 nan 8.250 nan 0.000 0.441 171 D N 0.359 120.805 120.400 0.078 0.000 2.117 171 D HA -0.059 4.581 4.640 0.001 0.000 0.197 171 D C 1.937 178.319 176.300 0.137 0.000 0.987 171 D CA 1.099 55.158 54.000 0.097 0.000 0.829 171 D CB -0.078 40.779 40.800 0.096 0.000 0.961 171 D HN 0.416 nan 8.370 nan 0.000 0.460 172 L N 0.268 121.578 121.223 0.145 0.000 2.156 172 L HA -0.061 4.279 4.340 0.001 0.000 0.208 172 L C 2.231 179.311 176.870 0.350 0.000 1.095 172 L CA 0.931 55.903 54.840 0.220 0.000 0.770 172 L CB -0.069 42.083 42.059 0.154 0.000 0.914 172 L HN -0.064 nan 8.230 nan 0.000 0.439 173 K N -0.474 120.061 120.400 0.224 0.000 2.228 173 K HA -0.044 4.276 4.320 0.001 0.000 0.202 173 K C 0.494 177.300 176.600 0.343 0.000 1.051 173 K CA 0.535 56.970 56.287 0.247 0.000 0.960 173 K CB 0.086 32.637 32.500 0.086 0.000 0.743 173 K HN 0.060 nan 8.250 nan 0.000 0.458 174 N N 0.778 119.616 118.700 0.229 0.000 2.703 174 N HA 0.130 4.871 4.740 0.001 0.000 0.283 174 N C -2.911 172.667 175.510 0.112 0.000 1.851 174 N CA -1.895 51.253 53.050 0.164 0.000 0.826 174 N CB 0.746 39.301 38.487 0.114 0.000 1.239 174 N HN -0.123 nan 8.380 nan 0.000 0.495 175 P HA 0.215 nan 4.420 nan 0.000 0.275 175 P C 0.120 177.419 177.300 -0.003 0.000 1.227 175 P CA -0.072 63.064 63.100 0.059 0.000 0.781 175 P CB 1.450 33.182 31.700 0.053 0.000 0.906 176 D N 1.166 121.546 120.400 -0.035 0.000 2.117 176 D HA -0.101 4.539 4.640 0.001 0.000 0.197 176 D C 1.072 177.304 176.300 -0.114 0.000 0.987 176 D CA 1.730 55.683 54.000 -0.079 0.000 0.829 176 D CB 0.190 40.922 40.800 -0.115 0.000 0.961 176 D HN 0.464 nan 8.370 nan 0.000 0.460 177 R N -0.874 119.540 120.500 -0.143 0.000 2.716 177 R HA 0.465 4.805 4.340 0.001 0.000 0.271 177 R C -1.779 174.452 176.300 -0.115 0.000 1.028 177 R CA -0.787 55.222 56.100 -0.151 0.000 0.883 177 R CB 0.684 30.869 30.300 -0.192 0.000 1.250 177 R HN -0.176 nan 8.270 nan 0.000 0.465 178 V N 1.851 121.684 119.914 -0.134 0.000 2.513 178 V HA 0.533 4.653 4.120 0.001 0.000 0.299 178 V C -0.763 175.286 176.094 -0.076 0.000 1.035 178 V CA -0.934 61.271 62.300 -0.158 0.000 0.889 178 V CB 1.587 33.154 31.823 -0.425 0.000 0.988 178 V HN 0.642 nan 8.190 nan 0.000 0.440 179 L N 6.594 127.839 121.223 0.036 0.000 2.356 179 L HA 0.725 5.065 4.340 0.001 0.000 0.277 179 L C -0.848 176.035 176.870 0.022 0.000 0.996 179 L CA 0.035 54.911 54.840 0.061 0.000 0.822 179 L CB 1.398 43.587 42.059 0.216 0.000 1.256 179 L HN 0.562 nan 8.230 nan 0.000 0.413 180 I N 4.173 124.746 120.570 0.006 0.000 2.533 180 I HA 0.632 4.802 4.170 0.001 0.000 0.290 180 I C 0.112 176.220 176.117 -0.015 0.000 1.056 180 I CA -0.584 60.728 61.300 0.020 0.000 1.057 180 I CB 2.200 40.230 38.000 0.050 0.000 1.240 180 I HN 0.740 nan 8.210 nan 0.000 0.423 181 G N 3.290 112.074 108.800 -0.027 0.000 2.461 181 G HA2 0.788 4.748 3.960 0.001 0.000 0.323 181 G HA3 0.788 4.748 3.960 0.001 0.000 0.323 181 G C -0.693 174.161 174.900 -0.077 0.000 1.229 181 G CA -0.682 44.366 45.100 -0.087 0.000 0.941 181 G HN 0.863 nan 8.290 nan 0.000 0.477 182 G N 0.588 109.322 108.800 -0.110 0.000 2.649 182 G HA2 0.527 4.488 3.960 0.001 0.000 0.290 182 G HA3 0.527 4.488 3.960 0.001 0.000 0.290 182 G C -1.331 173.502 174.900 -0.111 0.000 1.426 182 G CA -0.796 44.257 45.100 -0.078 0.000 0.794 182 G HN 0.458 nan 8.290 nan 0.000 0.483 183 D N 0.145 120.513 120.400 -0.053 0.000 2.423 183 D HA 0.382 5.023 4.640 0.001 0.000 0.238 183 D C 1.552 177.835 176.300 -0.028 0.000 1.142 183 D CA 0.664 54.646 54.000 -0.030 0.000 0.884 183 D CB 1.183 42.001 40.800 0.029 0.000 1.199 183 D HN 0.688 nan 8.370 nan 0.000 0.438 184 E N 0.776 120.966 120.200 -0.016 0.000 2.472 184 E HA -0.050 4.300 4.350 0.001 0.000 0.200 184 E C 1.087 177.694 176.600 0.011 0.000 1.046 184 E CA 0.688 57.085 56.400 -0.005 0.000 0.871 184 E CB -0.790 28.916 29.700 0.010 0.000 0.806 184 E HN 0.575 nan 8.360 nan 0.000 0.533 185 T N -2.603 111.964 114.554 0.021 0.000 2.802 185 T HA 0.243 4.593 4.350 0.001 0.000 0.305 185 T C -1.573 173.138 174.700 0.019 0.000 1.053 185 T CA -0.659 61.455 62.100 0.025 0.000 1.058 185 T CB 1.320 70.208 68.868 0.034 0.000 0.988 185 T HN -0.070 nan 8.240 nan 0.000 0.539 186 P HA -0.057 nan 4.420 nan 0.000 0.217 186 P C 1.647 178.957 177.300 0.017 0.000 1.150 186 P CA 0.895 64.003 63.100 0.013 0.000 0.832 186 P CB 0.088 31.793 31.700 0.008 0.000 0.787 187 E N -0.578 119.637 120.200 0.025 0.000 2.072 187 E HA -0.097 4.254 4.350 0.001 0.000 0.191 187 E C 2.281 178.913 176.600 0.054 0.000 0.985 187 E CA 1.560 57.985 56.400 0.042 0.000 0.801 187 E CB -1.007 28.726 29.700 0.055 0.000 0.750 187 E HN 0.246 nan 8.360 nan 0.000 0.452 188 G N 1.438 110.262 108.800 0.040 0.000 2.421 188 G HA2 -0.269 3.691 3.960 0.001 0.000 0.216 188 G HA3 -0.269 3.691 3.960 0.001 0.000 0.216 188 G C 1.541 176.456 174.900 0.026 0.000 1.171 188 G CA 0.457 45.575 45.100 0.030 0.000 0.775 188 G HN 0.136 nan 8.290 nan 0.000 0.543 189 Q N 0.191 120.002 119.800 0.020 0.000 2.170 189 Q HA 0.015 4.355 4.340 0.001 0.000 0.203 189 Q C 2.689 178.709 176.000 0.034 0.000 0.976 189 Q CA 0.732 56.546 55.803 0.018 0.000 0.858 189 Q CB -0.297 28.447 28.738 0.010 0.000 0.907 189 Q HN 0.486 nan 8.270 nan 0.000 0.433 190 R N -0.062 120.461 120.500 0.040 0.000 2.092 190 R HA -0.031 4.309 4.340 0.001 0.000 0.231 190 R C 2.161 178.517 176.300 0.094 0.000 1.119 190 R CA 1.070 57.202 56.100 0.053 0.000 0.970 190 R CB -0.218 30.097 30.300 0.024 0.000 0.864 190 R HN 0.197 nan 8.270 nan 0.000 0.440 191 A N 0.619 123.498 122.820 0.097 0.000 1.898 191 A HA -0.087 4.233 4.320 0.001 0.000 0.216 191 A C 2.333 179.969 177.584 0.086 0.000 1.181 191 A CA 1.119 53.220 52.037 0.106 0.000 0.620 191 A CB -0.485 18.550 19.000 0.058 0.000 0.819 191 A HN 0.090 nan 8.150 nan 0.000 0.442 192 V N 0.064 120.015 119.914 0.062 0.000 2.287 192 V HA -0.304 3.816 4.120 0.001 0.000 0.248 192 V C 2.779 178.918 176.094 0.075 0.000 1.053 192 V CA 2.450 64.785 62.300 0.057 0.000 1.027 192 V CB -0.769 31.071 31.823 0.029 0.000 0.646 192 V HN 0.698 nan 8.190 nan 0.000 0.447 193 Q N 0.344 120.187 119.800 0.072 0.000 2.167 193 Q HA -0.068 4.272 4.340 0.001 0.000 0.202 193 Q C 2.069 178.127 176.000 0.098 0.000 0.970 193 Q CA 1.908 57.754 55.803 0.073 0.000 0.855 193 Q CB -0.589 28.183 28.738 0.058 0.000 0.911 193 Q HN 0.606 nan 8.270 nan 0.000 0.438 194 A N -0.127 122.776 122.820 0.137 0.000 1.930 194 A HA -0.110 4.211 4.320 0.001 0.000 0.217 194 A C 1.940 179.601 177.584 0.129 0.000 1.175 194 A CA 1.393 53.538 52.037 0.180 0.000 0.627 194 A CB -0.630 18.581 19.000 0.353 0.000 0.815 194 A HN 0.446 nan 8.150 nan 0.000 0.443 195 L N -0.558 120.734 121.223 0.115 0.000 2.131 195 L HA -0.070 4.271 4.340 0.001 0.000 0.206 195 L C 2.430 179.389 176.870 0.148 0.000 1.087 195 L CA 1.729 56.629 54.840 0.100 0.000 0.767 195 L CB -0.786 41.353 42.059 0.134 0.000 0.917 195 L HN 0.456 nan 8.230 nan 0.000 0.441 196 C N -0.352 119.043 119.300 0.157 0.000 2.413 196 C HA -0.189 4.272 4.460 0.001 0.000 0.276 196 C C 3.001 178.059 174.990 0.112 0.000 1.248 196 C CA 0.746 59.856 59.018 0.153 0.000 1.742 196 C CB -1.631 26.160 27.740 0.086 0.000 2.017 196 C HN 0.704 nan 8.230 nan 0.000 0.481 197 A N 0.240 123.115 122.820 0.091 0.000 1.948 197 A HA -0.147 4.174 4.320 0.001 0.000 0.220 197 A C 2.272 179.970 177.584 0.189 0.000 1.177 197 A CA 2.380 54.476 52.037 0.097 0.000 0.636 197 A CB -0.730 18.321 19.000 0.085 0.000 0.815 197 A HN 0.404 nan 8.150 nan 0.000 0.449 198 V N -1.663 118.309 119.914 0.096 0.000 2.261 198 V HA -0.289 3.832 4.120 0.001 0.000 0.246 198 V C 2.338 178.421 176.094 -0.018 0.000 1.047 198 V CA 2.049 64.353 62.300 0.007 0.000 1.015 198 V CB -1.104 30.598 31.823 -0.203 0.000 0.642 198 V HN 0.696 nan 8.190 nan 0.000 0.446 199 Y N 0.435 120.694 120.300 -0.069 0.000 2.274 199 Y HA -0.164 4.386 4.550 0.001 0.000 0.290 199 Y C 2.538 178.152 175.900 -0.477 0.000 1.145 199 Y CA 1.325 59.108 58.100 -0.529 0.000 1.203 199 Y CB -0.207 38.000 38.460 -0.421 0.000 0.984 199 Y HN 0.323 nan 8.280 nan 0.000 0.533 200 E N -0.796 119.396 120.200 -0.014 0.000 2.409 200 E HA -0.194 4.157 4.350 0.001 0.000 0.198 200 E C 1.328 177.947 176.600 0.030 0.000 1.024 200 E CA 0.642 57.029 56.400 -0.022 0.000 0.861 200 E CB -0.170 29.523 29.700 -0.012 0.000 0.788 200 E HN 0.649 nan 8.360 nan 0.000 0.521 201 H N -0.975 118.133 119.070 0.065 0.000 2.426 201 H HA -0.177 4.379 4.556 0.001 0.000 0.298 201 H C 1.319 176.846 175.328 0.333 0.000 1.107 201 H CA 1.928 58.102 56.048 0.210 0.000 1.298 201 H CB -0.097 29.861 29.762 0.327 0.000 1.377 201 H HN 0.522 nan 8.280 nan 0.000 0.519 202 W N -2.380 119.024 121.300 0.172 0.000 1.807 202 W HA 0.443 5.103 4.660 0.001 0.000 0.251 202 W C -1.472 175.112 176.519 0.109 0.000 0.848 202 W CA -0.173 57.243 57.345 0.119 0.000 1.157 202 W CB 0.363 29.894 29.460 0.119 0.000 0.992 202 W HN -0.288 nan 8.180 nan 0.000 0.506 203 V N 3.583 123.277 119.914 -0.367 0.000 2.417 203 V HA 0.448 4.568 4.120 0.001 0.000 0.291 203 V C -1.985 174.027 176.094 -0.136 0.000 1.024 203 V CA -2.167 59.953 62.300 -0.300 0.000 0.861 203 V CB 1.332 32.877 31.823 -0.463 0.000 0.985 203 V HN -0.261 nan 8.190 nan 0.000 0.436 204 P HA 0.098 nan 4.420 nan 0.000 0.264 204 P C 0.805 178.068 177.300 -0.061 0.000 1.183 204 P CA 0.077 63.148 63.100 -0.047 0.000 0.763 204 P CB 0.618 32.299 31.700 -0.031 0.000 0.807 205 R N 3.793 124.266 120.500 -0.046 0.000 2.117 205 R HA -0.214 4.126 4.340 0.001 0.000 0.243 205 R C 1.833 178.106 176.300 -0.045 0.000 1.143 205 R CA 1.964 58.039 56.100 -0.042 0.000 0.968 205 R CB -0.185 30.097 30.300 -0.029 0.000 0.863 205 R HN 0.621 nan 8.270 nan 0.000 0.444 206 E N 0.356 120.531 120.200 -0.042 0.000 2.265 206 E HA -0.211 4.139 4.350 0.001 0.000 0.196 206 E C 0.961 177.527 176.600 -0.056 0.000 0.996 206 E CA 1.216 57.590 56.400 -0.043 0.000 0.832 206 E CB -0.054 29.624 29.700 -0.036 0.000 0.756 206 E HN 0.330 nan 8.360 nan 0.000 0.491 207 K N 0.516 120.876 120.400 -0.067 0.000 2.404 207 K HA 0.260 4.581 4.320 0.001 0.000 0.194 207 K C 0.103 176.642 176.600 -0.102 0.000 1.023 207 K CA -0.043 56.193 56.287 -0.084 0.000 1.094 207 K CB 0.442 32.891 32.500 -0.085 0.000 0.841 207 K HN 0.176 nan 8.250 nan 0.000 0.523 208 I N 2.441 122.957 120.570 -0.090 0.000 2.328 208 I HA 0.183 4.354 4.170 0.001 0.000 0.287 208 I C -0.418 175.658 176.117 -0.067 0.000 1.012 208 I CA -0.616 60.629 61.300 -0.091 0.000 1.195 208 I CB 0.932 38.887 38.000 -0.074 0.000 1.350 208 I HN -0.124 nan 8.210 nan 0.000 0.464 209 L N 6.434 127.615 121.223 -0.069 0.000 2.312 209 L HA 0.481 4.822 4.340 0.001 0.000 0.281 209 L C 0.393 177.237 176.870 -0.044 0.000 1.070 209 L CA -0.352 54.454 54.840 -0.057 0.000 0.805 209 L CB 1.545 43.565 42.059 -0.065 0.000 1.174 209 L HN 0.603 nan 8.230 nan 0.000 0.434 210 T N -1.131 113.397 114.554 -0.043 0.000 2.863 210 T HA 0.715 5.066 4.350 0.001 0.000 0.285 210 T C -0.365 174.297 174.700 -0.063 0.000 1.009 210 T CA -0.626 61.449 62.100 -0.042 0.000 0.989 210 T CB 2.457 71.307 68.868 -0.029 0.000 1.004 210 T HN 0.645 nan 8.240 nan 0.000 0.455 211 T N 1.019 115.520 114.554 -0.089 0.000 2.630 211 T HA 0.494 4.844 4.350 0.001 0.000 0.300 211 T C -1.283 173.288 174.700 -0.214 0.000 1.261 211 T CA -0.645 61.374 62.100 -0.136 0.000 1.060 211 T CB 0.763 69.552 68.868 -0.133 0.000 1.670 211 T HN 0.982 nan 8.240 nan 0.000 0.473 212 N N 0.113 118.597 118.700 -0.359 0.000 2.463 212 N HA 0.338 5.078 4.740 0.001 0.000 0.270 212 N C 1.043 176.187 175.510 -0.610 0.000 1.205 212 N CA 0.031 52.709 53.050 -0.620 0.000 0.974 212 N CB -0.089 37.729 38.487 -1.115 0.000 1.197 212 N HN 0.488 nan 8.380 nan 0.000 0.504 213 T N -0.710 113.483 114.554 -0.600 0.000 2.684 213 T HA -0.170 4.180 4.350 0.001 0.000 0.267 213 T C 1.180 175.798 174.700 -0.137 0.000 1.036 213 T CA 2.095 64.044 62.100 -0.251 0.000 1.148 213 T CB -0.521 68.317 68.868 -0.050 0.000 0.863 213 T HN 0.807 nan 8.240 nan 0.000 0.436 214 W N 1.473 122.776 121.300 0.005 0.000 2.436 214 W HA 0.140 4.800 4.660 0.001 0.000 0.284 214 W C 2.267 178.790 176.519 0.006 0.000 1.225 214 W CA 0.563 57.910 57.345 0.004 0.000 1.271 214 W CB -0.907 28.554 29.460 0.001 0.000 1.114 214 W HN -0.005 nan 8.180 nan 0.000 0.559 215 S N 0.608 116.232 115.700 -0.127 0.000 2.383 215 S HA -0.231 4.239 4.470 0.001 0.000 0.227 215 S C 2.046 176.628 174.600 -0.030 0.000 1.026 215 S CA 1.535 59.707 58.200 -0.046 0.000 0.981 215 S CB -0.766 62.362 63.200 -0.121 0.000 0.818 215 S HN 0.409 nan 8.310 nan 0.000 0.472 216 S N 1.385 117.044 115.700 -0.069 0.000 2.348 216 S HA -0.171 4.299 4.470 0.001 0.000 0.221 216 S C 1.809 176.419 174.600 0.017 0.000 1.033 216 S CA 1.423 59.611 58.200 -0.020 0.000 1.010 216 S CB -0.358 62.816 63.200 -0.043 0.000 0.891 216 S HN 0.550 nan 8.310 nan 0.000 0.442 217 E N 0.171 120.386 120.200 0.025 0.000 2.085 217 E HA -0.164 4.186 4.350 0.001 0.000 0.194 217 E C 2.042 178.668 176.600 0.044 0.000 0.994 217 E CA 1.370 57.794 56.400 0.040 0.000 0.801 217 E CB -0.250 29.494 29.700 0.074 0.000 0.743 217 E HN 0.397 nan 8.360 nan 0.000 0.453 218 L N 0.537 121.795 121.223 0.059 0.000 2.109 218 L HA -0.068 4.272 4.340 0.001 0.000 0.207 218 L C 2.058 178.946 176.870 0.029 0.000 1.086 218 L CA 1.560 56.428 54.840 0.047 0.000 0.760 218 L CB -0.233 41.868 42.059 0.071 0.000 0.910 218 L HN -0.095 nan 8.230 nan 0.000 0.437 219 S N -0.315 115.408 115.700 0.039 0.000 2.382 219 S HA -0.200 4.270 4.470 0.001 0.000 0.228 219 S C 1.912 176.572 174.600 0.099 0.000 1.027 219 S CA 1.447 59.673 58.200 0.042 0.000 0.991 219 S CB -0.286 62.943 63.200 0.047 0.000 0.823 219 S HN 0.386 nan 8.310 nan 0.000 0.469 220 K N 1.985 122.457 120.400 0.120 0.000 2.025 220 K HA 0.085 4.405 4.320 0.001 0.000 0.207 220 K C 1.805 178.444 176.600 0.065 0.000 1.049 220 K CA 1.257 57.624 56.287 0.134 0.000 0.933 220 K CB -0.725 31.755 32.500 -0.032 0.000 0.714 220 K HN 0.318 nan 8.250 nan 0.000 0.438 221 L N 0.123 121.350 121.223 0.008 0.000 2.046 221 L HA -0.119 4.222 4.340 0.001 0.000 0.208 221 L C 2.517 179.323 176.870 -0.106 0.000 1.077 221 L CA 1.367 56.179 54.840 -0.046 0.000 0.747 221 L CB -0.727 41.297 42.059 -0.058 0.000 0.896 221 L HN 0.287 nan 8.230 nan 0.000 0.432 222 A N 0.040 122.813 122.820 -0.079 0.000 1.930 222 A HA -0.130 4.191 4.320 0.001 0.000 0.217 222 A C 2.553 180.148 177.584 0.020 0.000 1.175 222 A CA 1.615 53.611 52.037 -0.068 0.000 0.627 222 A CB -0.641 18.357 19.000 -0.002 0.000 0.815 222 A HN 0.396 nan 8.150 nan 0.000 0.443 223 A N 0.355 123.172 122.820 -0.005 0.000 1.877 223 A HA -0.219 4.102 4.320 0.001 0.000 0.216 223 A C 1.932 179.511 177.584 -0.008 0.000 1.186 223 A CA 2.001 54.029 52.037 -0.014 0.000 0.620 223 A CB -0.663 18.365 19.000 0.047 0.000 0.822 223 A HN 0.523 nan 8.150 nan 0.000 0.443 224 N N 0.230 118.923 118.700 -0.012 0.000 2.188 224 N HA -0.048 4.692 4.740 0.001 0.000 0.184 224 N C 1.827 177.098 175.510 -0.398 0.000 1.018 224 N CA 1.480 54.453 53.050 -0.127 0.000 0.858 224 N CB -0.539 37.980 38.487 0.055 0.000 0.989 224 N HN 0.465 nan 8.380 nan 0.000 0.426 225 A N 0.119 122.760 122.820 -0.297 0.000 1.877 225 A HA -0.094 4.226 4.320 0.001 0.000 0.216 225 A C 2.014 179.508 177.584 -0.149 0.000 1.186 225 A CA 1.022 52.820 52.037 -0.398 0.000 0.620 225 A CB -0.961 17.465 19.000 -0.956 0.000 0.822 225 A HN 0.195 nan 8.150 nan 0.000 0.443 226 F N 0.029 119.883 119.950 -0.159 0.000 2.126 226 F HA -0.145 4.382 4.527 0.001 0.000 0.299 226 F C 2.173 177.908 175.800 -0.108 0.000 1.096 226 F CA 1.580 59.581 58.000 0.002 0.000 1.255 226 F CB -0.461 38.533 39.000 -0.009 0.000 0.997 226 F HN 0.100 nan 8.300 nan 0.000 0.479 227 L N -0.780 120.387 121.223 -0.093 0.000 1.994 227 L HA -0.219 4.121 4.340 0.001 0.000 0.208 227 L C 2.729 179.434 176.870 -0.273 0.000 1.071 227 L CA 1.268 55.972 54.840 -0.225 0.000 0.745 227 L CB -1.127 40.736 42.059 -0.327 0.000 0.892 227 L HN 0.119 nan 8.230 nan 0.000 0.431 228 A N -0.599 121.712 122.820 -0.849 0.000 1.940 228 A HA -0.302 4.019 4.320 0.001 0.000 0.219 228 A C 2.271 179.720 177.584 -0.225 0.000 1.176 228 A CA 1.972 53.471 52.037 -0.896 0.000 0.631 228 A CB -0.646 17.614 19.000 -1.233 0.000 0.814 228 A HN 0.521 nan 8.150 nan 0.000 0.446 229 Q N -0.464 119.281 119.800 -0.093 0.000 2.084 229 Q HA -0.212 4.128 4.340 0.001 0.000 0.202 229 Q C 2.258 178.284 176.000 0.042 0.000 0.978 229 Q CA 1.638 57.452 55.803 0.017 0.000 0.844 229 Q CB -0.114 28.642 28.738 0.029 0.000 0.898 229 Q HN 0.695 nan 8.270 nan 0.000 0.426 230 R N -0.118 120.429 120.500 0.078 0.000 2.096 230 R HA -0.120 4.221 4.340 0.001 0.000 0.235 230 R C 2.302 178.692 176.300 0.149 0.000 1.127 230 R CA 1.554 57.732 56.100 0.131 0.000 0.968 230 R CB -0.295 30.129 30.300 0.206 0.000 0.861 230 R HN 0.366 nan 8.270 nan 0.000 0.440 231 I N 0.057 120.739 120.570 0.187 0.000 2.202 231 I HA -0.239 3.932 4.170 0.001 0.000 0.242 231 I C 2.205 178.436 176.117 0.190 0.000 1.091 231 I CA 1.188 62.607 61.300 0.198 0.000 1.368 231 I CB -0.255 37.923 38.000 0.298 0.000 1.058 231 I HN 0.050 nan 8.210 nan 0.000 0.410 232 S N 0.244 116.078 115.700 0.223 0.000 2.382 232 S HA -0.152 4.319 4.470 0.001 0.000 0.228 232 S C 2.237 176.886 174.600 0.083 0.000 1.027 232 S CA 1.551 59.848 58.200 0.163 0.000 0.991 232 S CB -0.153 63.153 63.200 0.176 0.000 0.823 232 S HN 0.363 nan 8.310 nan 0.000 0.469 233 S N 1.254 116.990 115.700 0.060 0.000 2.356 233 S HA -0.026 4.444 4.470 0.001 0.000 0.223 233 S C 1.813 176.438 174.600 0.041 0.000 1.032 233 S CA 0.907 59.124 58.200 0.029 0.000 1.005 233 S CB -0.320 62.889 63.200 0.015 0.000 0.867 233 S HN 0.373 nan 8.310 nan 0.000 0.449 234 I N 2.682 123.286 120.570 0.057 0.000 2.315 234 I HA -0.099 4.071 4.170 0.001 0.000 0.248 234 I C 1.632 177.774 176.117 0.042 0.000 1.117 234 I CA 1.093 62.422 61.300 0.048 0.000 1.404 234 I CB -0.410 37.620 38.000 0.050 0.000 1.071 234 I HN 0.116 nan 8.210 nan 0.000 0.419 235 N N 0.096 118.825 118.700 0.049 0.000 2.244 235 N HA -0.154 4.586 4.740 0.001 0.000 0.183 235 N C 2.125 177.668 175.510 0.055 0.000 1.016 235 N CA 1.524 54.596 53.050 0.037 0.000 0.866 235 N CB -0.479 38.026 38.487 0.030 0.000 0.980 235 N HN 0.540 nan 8.380 nan 0.000 0.430 236 S N 0.497 116.237 115.700 0.067 0.000 2.382 236 S HA -0.044 4.427 4.470 0.001 0.000 0.228 236 S C 1.860 176.496 174.600 0.061 0.000 1.027 236 S CA 0.581 58.828 58.200 0.079 0.000 0.991 236 S CB -0.250 62.976 63.200 0.043 0.000 0.823 236 S HN 0.086 nan 8.310 nan 0.000 0.469 237 I N 3.229 123.825 120.570 0.042 0.000 2.439 237 I HA -0.071 4.100 4.170 0.001 0.000 0.251 237 I C 2.958 179.097 176.117 0.036 0.000 1.139 237 I CA 1.356 62.677 61.300 0.034 0.000 1.438 237 I CB -1.829 36.188 38.000 0.027 0.000 1.085 237 I HN 0.618 nan 8.210 nan 0.000 0.427 238 S N 1.775 117.496 115.700 0.036 0.000 2.370 238 S HA -0.158 4.312 4.470 0.001 0.000 0.226 238 S C 2.289 176.915 174.600 0.043 0.000 1.033 238 S CA 1.185 59.404 58.200 0.033 0.000 1.011 238 S CB -0.563 62.649 63.200 0.021 0.000 0.852 238 S HN 0.376 nan 8.310 nan 0.000 0.457 239 A N 1.864 124.721 122.820 0.060 0.000 1.902 239 A HA 0.136 4.456 4.320 0.001 0.000 0.217 239 A C 2.368 179.995 177.584 0.071 0.000 1.181 239 A CA 1.457 53.544 52.037 0.083 0.000 0.623 239 A CB -0.914 18.188 19.000 0.170 0.000 0.818 239 A HN 0.548 nan 8.150 nan 0.000 0.443 240 L N -0.895 120.363 121.223 0.059 0.000 2.083 240 L HA -0.249 4.091 4.340 0.001 0.000 0.209 240 L C 2.721 179.612 176.870 0.034 0.000 1.083 240 L CA 1.288 56.152 54.840 0.041 0.000 0.752 240 L CB -0.493 41.584 42.059 0.030 0.000 0.899 240 L HN 0.514 nan 8.230 nan 0.000 0.433 241 C N -0.194 119.125 119.300 0.033 0.000 2.432 241 C HA -0.153 4.308 4.460 0.001 0.000 0.277 241 C C 2.601 177.609 174.990 0.030 0.000 1.249 241 C CA 0.690 59.724 59.018 0.027 0.000 1.725 241 C CB -0.743 27.011 27.740 0.024 0.000 2.028 241 C HN 0.523 nan 8.230 nan 0.000 0.477 242 E N 0.932 121.155 120.200 0.038 0.000 2.085 242 E HA -0.208 4.143 4.350 0.001 0.000 0.194 242 E C 2.277 178.901 176.600 0.039 0.000 0.994 242 E CA 1.539 57.965 56.400 0.043 0.000 0.801 242 E CB -0.250 29.481 29.700 0.051 0.000 0.743 242 E HN 0.694 nan 8.360 nan 0.000 0.453 243 A N 0.715 123.559 122.820 0.039 0.000 2.014 243 A HA -0.107 4.213 4.320 0.001 0.000 0.218 243 A C 2.267 179.868 177.584 0.027 0.000 1.163 243 A CA 1.717 53.774 52.037 0.035 0.000 0.652 243 A CB -0.380 18.642 19.000 0.037 0.000 0.808 243 A HN 0.364 nan 8.150 nan 0.000 0.449 244 T N -5.614 108.955 114.554 0.025 0.000 3.023 244 T HA 0.431 4.781 4.350 0.001 0.000 0.253 244 T C 1.295 176.006 174.700 0.018 0.000 1.038 244 T CA 1.049 63.160 62.100 0.019 0.000 0.962 244 T CB 0.372 69.250 68.868 0.017 0.000 1.018 244 T HN 1.624 nan 8.240 nan 0.000 0.521 245 G N 1.313 110.125 108.800 0.020 0.000 2.143 245 G HA2 -0.015 3.945 3.960 0.001 0.000 0.249 245 G HA3 -0.015 3.945 3.960 0.001 0.000 0.249 245 G C 0.310 175.217 174.900 0.012 0.000 0.981 245 G CA -0.029 45.081 45.100 0.017 0.000 0.665 245 G HN 1.137 nan 8.290 nan 0.000 0.528 246 A N -0.648 122.180 122.820 0.013 0.000 2.246 246 A HA 0.705 5.025 4.320 0.001 0.000 0.291 246 A C 0.026 177.614 177.584 0.006 0.000 1.103 246 A CA 0.431 52.473 52.037 0.008 0.000 0.844 246 A CB 0.750 19.756 19.000 0.010 0.000 1.136 246 A HN 0.582 nan 8.150 nan 0.000 0.500 247 D N -0.611 119.789 120.400 0.000 0.000 2.391 247 D HA 0.355 4.996 4.640 0.001 0.000 0.245 247 D C 0.636 176.936 176.300 -0.000 0.000 1.069 247 D CA -0.359 53.638 54.000 -0.005 0.000 0.831 247 D CB 1.719 42.506 40.800 -0.021 0.000 1.204 247 D HN 0.152 nan 8.370 nan 0.000 0.503 248 V N 4.161 124.077 119.914 0.005 0.000 2.469 248 V HA -0.161 3.959 4.120 0.001 0.000 0.251 248 V C 1.676 177.773 176.094 0.006 0.000 1.064 248 V CA 1.785 64.091 62.300 0.009 0.000 1.066 248 V CB -0.296 31.535 31.823 0.013 0.000 0.667 248 V HN 0.601 nan 8.190 nan 0.000 0.461 249 E N -0.070 120.129 120.200 -0.002 0.000 2.072 249 E HA -0.209 4.141 4.350 0.001 0.000 0.191 249 E C 2.143 178.743 176.600 -0.000 0.000 0.985 249 E CA 1.583 57.981 56.400 -0.003 0.000 0.801 249 E CB -0.191 29.502 29.700 -0.012 0.000 0.750 249 E HN 0.763 nan 8.360 nan 0.000 0.452 250 E N 0.404 120.601 120.200 -0.004 0.000 2.107 250 E HA -0.089 4.261 4.350 0.001 0.000 0.191 250 E C 2.248 178.851 176.600 0.005 0.000 0.982 250 E CA 0.834 57.233 56.400 -0.001 0.000 0.809 250 E CB 0.076 29.773 29.700 -0.005 0.000 0.756 250 E HN 0.020 nan 8.360 nan 0.000 0.459 251 V N 1.592 121.510 119.914 0.007 0.000 2.358 251 V HA -0.243 3.878 4.120 0.001 0.000 0.246 251 V C 2.390 178.493 176.094 0.015 0.000 1.047 251 V CA 1.752 64.059 62.300 0.011 0.000 1.035 251 V CB -0.721 31.110 31.823 0.013 0.000 0.658 251 V HN 0.298 nan 8.190 nan 0.000 0.452 252 A N -0.105 122.725 122.820 0.017 0.000 1.908 252 A HA -0.257 4.063 4.320 0.001 0.000 0.218 252 A C 2.402 180.000 177.584 0.024 0.000 1.181 252 A CA 2.635 54.685 52.037 0.023 0.000 0.627 252 A CB -1.028 17.986 19.000 0.022 0.000 0.818 252 A HN 0.504 nan 8.150 nan 0.000 0.445 253 T N 0.202 114.766 114.554 0.018 0.000 2.684 253 T HA -0.051 4.300 4.350 0.001 0.000 0.267 253 T C 2.239 176.949 174.700 0.017 0.000 1.036 253 T CA 1.771 63.881 62.100 0.017 0.000 1.148 253 T CB -0.478 68.397 68.868 0.012 0.000 0.863 253 T HN 0.622 nan 8.240 nan 0.000 0.436 254 A N 0.948 123.776 122.820 0.015 0.000 1.877 254 A HA -0.005 4.315 4.320 0.001 0.000 0.216 254 A C 2.291 179.886 177.584 0.018 0.000 1.186 254 A CA 1.170 53.216 52.037 0.014 0.000 0.620 254 A CB -0.798 18.209 19.000 0.012 0.000 0.822 254 A HN 0.505 nan 8.150 nan 0.000 0.443 255 I N -0.242 120.341 120.570 0.020 0.000 2.091 255 I HA -0.260 3.910 4.170 0.001 0.000 0.239 255 I C 2.650 178.785 176.117 0.029 0.000 1.061 255 I CA 1.489 62.804 61.300 0.025 0.000 1.317 255 I CB -0.656 37.361 38.000 0.029 0.000 1.031 255 I HN 0.403 nan 8.210 nan 0.000 0.401 256 G N -0.131 108.688 108.800 0.032 0.000 2.559 256 G HA2 -0.164 3.797 3.960 0.001 0.000 0.216 256 G HA3 -0.164 3.797 3.960 0.001 0.000 0.216 256 G C 1.635 176.553 174.900 0.030 0.000 1.126 256 G CA 0.183 45.305 45.100 0.036 0.000 0.778 256 G HN 0.275 nan 8.290 nan 0.000 0.543 257 M N 0.394 120.009 119.600 0.024 0.000 2.492 257 M HA 0.056 4.537 4.480 0.001 0.000 0.262 257 M C 0.558 176.868 176.300 0.018 0.000 1.090 257 M CA 0.200 55.511 55.300 0.020 0.000 1.110 257 M CB 0.193 32.803 32.600 0.016 0.000 1.407 257 M HN -0.005 nan 8.290 nan 0.000 0.470 258 D N 1.306 121.718 120.400 0.020 0.000 2.346 258 D HA -0.014 4.626 4.640 0.001 0.000 0.260 258 D C 0.624 176.936 176.300 0.020 0.000 1.252 258 D CA 0.466 54.477 54.000 0.019 0.000 0.895 258 D CB 0.807 41.619 40.800 0.020 0.000 1.097 258 D HN 0.310 nan 8.370 nan 0.000 0.489 259 Q N 2.722 122.532 119.800 0.016 0.000 2.437 259 Q HA -0.088 4.253 4.340 0.001 0.000 0.210 259 Q C 1.554 177.563 176.000 0.015 0.000 0.972 259 Q CA 0.737 56.549 55.803 0.015 0.000 0.903 259 Q CB 0.345 29.089 28.738 0.010 0.000 0.967 259 Q HN 0.451 nan 8.270 nan 0.000 0.486 260 R N -0.147 120.363 120.500 0.017 0.000 2.153 260 R HA -0.000 4.340 4.340 0.001 0.000 0.218 260 R C 1.878 178.197 176.300 0.031 0.000 1.072 260 R CA 0.859 56.971 56.100 0.021 0.000 0.990 260 R CB 0.046 30.358 30.300 0.021 0.000 0.889 260 R HN 0.248 nan 8.270 nan 0.000 0.452 261 I N -0.214 120.376 120.570 0.034 0.000 2.339 261 I HA 0.087 4.257 4.170 0.001 0.000 0.245 261 I C 1.001 177.147 176.117 0.047 0.000 1.096 261 I CA 0.649 61.977 61.300 0.045 0.000 1.408 261 I CB -0.269 37.757 38.000 0.043 0.000 1.092 261 I HN 0.288 nan 8.210 nan 0.000 0.423 262 G N 2.171 110.994 108.800 0.039 0.000 2.712 262 G HA2 -0.233 3.727 3.960 0.001 0.000 0.686 262 G HA3 -0.233 3.727 3.960 0.001 0.000 0.686 262 G C -0.109 174.823 174.900 0.053 0.000 1.321 262 G CA 0.009 45.133 45.100 0.040 0.000 0.813 262 G HN 0.467 nan 8.290 nan 0.000 0.599 263 N N -0.892 117.842 118.700 0.056 0.000 2.187 263 N HA 0.151 4.891 4.740 0.001 0.000 0.212 263 N C 0.324 175.889 175.510 0.092 0.000 1.152 263 N CA 0.071 53.159 53.050 0.064 0.000 0.872 263 N CB 0.531 39.046 38.487 0.047 0.000 1.025 263 N HN 0.535 nan 8.380 nan 0.000 0.514 264 K N 0.284 120.757 120.400 0.121 0.000 2.095 264 K HA 0.267 4.587 4.320 0.001 0.000 0.252 264 K C -0.222 176.574 176.600 0.327 0.000 0.977 264 K CA -0.807 55.604 56.287 0.206 0.000 0.900 264 K CB 0.316 32.930 32.500 0.189 0.000 1.060 264 K HN 0.009 nan 8.250 nan 0.000 0.449 265 F N 0.117 120.098 119.950 0.052 0.000 3.091 265 F HA -0.217 4.310 4.527 0.001 0.000 0.288 265 F C 0.306 176.142 175.800 0.061 0.000 0.907 265 F CA 0.391 58.431 58.000 0.067 0.000 1.028 265 F CB -1.517 37.530 39.000 0.079 0.000 1.022 265 F HN 0.409 nan 8.300 nan 0.000 0.665 266 L N -0.498 120.797 121.223 0.120 0.000 3.141 266 L HA 0.182 4.523 4.340 0.001 0.000 0.267 266 L C 0.560 177.443 176.870 0.022 0.000 1.281 266 L CA -0.118 54.766 54.840 0.072 0.000 1.037 266 L CB 0.233 42.336 42.059 0.073 0.000 1.407 266 L HN -0.013 nan 8.230 nan 0.000 0.566 267 K N 1.670 122.057 120.400 -0.022 0.000 2.264 267 K HA 0.546 4.867 4.320 0.001 0.000 0.277 267 K C 0.313 176.889 176.600 -0.040 0.000 1.067 267 K CA -0.269 55.993 56.287 -0.040 0.000 0.900 267 K CB 1.846 34.301 32.500 -0.074 0.000 1.124 267 K HN 0.141 nan 8.250 nan 0.000 0.469 268 A N 2.414 125.221 122.820 -0.022 0.000 2.386 268 A HA 0.432 4.752 4.320 0.001 0.000 0.248 268 A C 0.097 177.650 177.584 -0.052 0.000 1.082 268 A CA -0.127 51.897 52.037 -0.022 0.000 0.789 268 A CB 0.335 19.328 19.000 -0.010 0.000 1.025 268 A HN 0.775 nan 8.150 nan 0.000 0.490 269 S N -0.172 115.483 115.700 -0.075 0.000 2.656 269 S HA 0.377 4.848 4.470 0.001 0.000 0.273 269 S C 0.482 174.952 174.600 -0.216 0.000 1.168 269 S CA 0.121 58.241 58.200 -0.133 0.000 0.817 269 S CB 0.826 63.964 63.200 -0.102 0.000 1.146 269 S HN 1.682 nan 8.310 nan 0.000 0.475 270 V N 0.627 120.326 119.914 -0.357 0.000 2.568 270 V HA 0.362 4.482 4.120 0.001 0.000 0.253 270 V C 0.956 176.885 176.094 -0.275 0.000 1.072 270 V CA 2.458 64.463 62.300 -0.491 0.000 1.084 270 V CB -0.433 30.961 31.823 -0.716 0.000 0.676 270 V HN 1.817 nan 8.190 nan 0.000 0.469 271 G N -0.970 107.710 108.800 -0.200 0.000 2.352 271 G HA2 0.256 4.216 3.960 0.001 0.000 0.303 271 G HA3 0.256 4.216 3.960 0.001 0.000 0.303 271 G C -0.817 174.011 174.900 -0.121 0.000 1.593 271 G CA -0.451 44.522 45.100 -0.211 0.000 0.963 271 G HN 0.761 nan 8.290 nan 0.000 0.685 272 F N 0.857 120.815 119.950 0.013 0.000 2.484 272 F HA 0.758 5.286 4.527 0.001 0.000 0.360 272 F C 0.727 176.552 175.800 0.042 0.000 1.101 272 F CA -0.340 57.705 58.000 0.074 0.000 1.251 272 F CB 0.846 39.981 39.000 0.226 0.000 1.132 272 F HN 0.732 nan 8.300 nan 0.000 0.570 273 G N 0.330 109.305 108.800 0.291 0.000 3.212 273 G HA2 0.708 4.668 3.960 0.001 0.000 0.188 273 G HA3 0.708 4.668 3.960 0.001 0.000 0.188 273 G C -0.317 174.490 174.900 -0.154 0.000 1.254 273 G CA -0.750 44.425 45.100 0.125 0.000 0.957 273 G HN 1.668 nan 8.290 nan 0.000 0.596 274 G N -1.861 106.492 108.800 -0.746 0.000 2.629 274 G HA2 0.268 4.229 3.960 0.001 0.000 0.686 274 G HA3 0.268 4.229 3.960 0.001 0.000 0.686 274 G C 0.865 175.359 174.900 -0.677 0.000 1.232 274 G CA 0.622 44.794 45.100 -1.546 0.000 0.803 274 G HN 1.834 nan 8.290 nan 0.000 0.638 275 S N -1.520 113.813 115.700 -0.612 0.000 2.474 275 S HA -0.016 4.454 4.470 0.001 0.000 0.235 275 S C 1.940 176.437 174.600 -0.171 0.000 0.997 275 S CA 2.181 60.203 58.200 -0.297 0.000 0.949 275 S CB -0.110 62.942 63.200 -0.248 0.000 0.766 275 S HN 1.154 nan 8.310 nan 0.000 0.517 276 C N -0.339 118.845 119.300 -0.194 0.000 2.478 276 C HA 0.457 4.917 4.460 0.001 0.000 0.397 276 C C 2.145 177.199 174.990 0.107 0.000 1.360 276 C CA -0.473 58.512 59.018 -0.055 0.000 2.191 276 C CB -1.204 26.497 27.740 -0.066 0.000 2.654 276 C HN 0.468 nan 8.230 nan 0.000 0.548 277 F N 2.098 122.001 119.950 -0.078 0.000 2.069 277 F HA -0.192 4.335 4.527 0.001 0.000 0.298 277 F C 2.641 178.438 175.800 -0.006 0.000 1.113 277 F CA 1.839 59.764 58.000 -0.126 0.000 1.214 277 F CB -1.381 37.372 39.000 -0.412 0.000 0.978 277 F HN 0.369 nan 8.300 nan 0.000 0.474 278 Q N 0.900 120.905 119.800 0.342 0.000 2.046 278 Q HA -0.236 4.105 4.340 0.001 0.000 0.200 278 Q C 2.214 178.302 176.000 0.147 0.000 0.975 278 Q CA 2.205 58.176 55.803 0.280 0.000 0.836 278 Q CB -0.155 28.722 28.738 0.232 0.000 0.896 278 Q HN 0.548 nan 8.270 nan 0.000 0.428 279 K N -0.664 119.798 120.400 0.103 0.000 2.148 279 K HA -0.139 4.181 4.320 0.001 0.000 0.204 279 K C 1.148 177.778 176.600 0.049 0.000 1.050 279 K CA 1.634 57.956 56.287 0.059 0.000 0.942 279 K CB -0.006 32.514 32.500 0.034 0.000 0.724 279 K HN 0.128 nan 8.250 nan 0.000 0.446 280 D N 1.184 121.618 120.400 0.057 0.000 2.123 280 D HA -0.077 4.563 4.640 0.001 0.000 0.200 280 D C 2.125 178.421 176.300 -0.007 0.000 0.976 280 D CA 0.890 54.906 54.000 0.027 0.000 0.831 280 D CB -0.166 40.658 40.800 0.040 0.000 0.974 280 D HN 0.052 nan 8.370 nan 0.000 0.469 281 V N 1.122 121.036 119.914 -0.000 0.000 2.343 281 V HA -0.193 3.927 4.120 0.001 0.000 0.247 281 V C 2.572 178.691 176.094 0.042 0.000 1.051 281 V CA 1.119 63.407 62.300 -0.019 0.000 1.036 281 V CB -0.424 31.421 31.823 0.037 0.000 0.654 281 V HN 0.199 nan 8.190 nan 0.000 0.451 282 L N 0.331 121.597 121.223 0.072 0.000 2.093 282 L HA -0.161 4.179 4.340 0.001 0.000 0.208 282 L C 2.528 179.455 176.870 0.095 0.000 1.085 282 L CA 1.585 56.478 54.840 0.088 0.000 0.755 282 L CB -0.744 41.359 42.059 0.073 0.000 0.904 282 L HN 0.421 nan 8.230 nan 0.000 0.435 283 N N 0.934 119.671 118.700 0.062 0.000 2.069 283 N HA -0.235 4.506 4.740 0.001 0.000 0.191 283 N C 1.818 177.384 175.510 0.093 0.000 1.031 283 N CA 1.592 54.685 53.050 0.073 0.000 0.852 283 N CB -0.251 38.256 38.487 0.034 0.000 1.018 283 N HN 0.146 nan 8.380 nan 0.000 0.423 284 L N 0.450 121.689 121.223 0.026 0.000 2.017 284 L HA -0.070 4.271 4.340 0.001 0.000 0.208 284 L C 2.326 179.227 176.870 0.051 0.000 1.073 284 L CA 1.232 56.062 54.840 -0.016 0.000 0.745 284 L CB -0.767 41.188 42.059 -0.173 0.000 0.894 284 L HN 0.027 nan 8.230 nan 0.000 0.432 285 V N -1.060 118.914 119.914 0.100 0.000 2.255 285 V HA -0.367 3.753 4.120 0.001 0.000 0.247 285 V C 2.283 178.456 176.094 0.132 0.000 1.051 285 V CA 2.257 64.645 62.300 0.146 0.000 1.018 285 V CB -0.977 30.943 31.823 0.162 0.000 0.641 285 V HN 0.603 nan 8.190 nan 0.000 0.445 286 Y N 0.449 120.770 120.300 0.035 0.000 2.128 286 Y HA -0.270 4.280 4.550 0.001 0.000 0.284 286 Y C 2.271 178.182 175.900 0.018 0.000 1.154 286 Y CA 1.957 60.070 58.100 0.021 0.000 1.149 286 Y CB -0.349 38.116 38.460 0.008 0.000 0.976 286 Y HN 0.228 nan 8.280 nan 0.000 0.505 287 L N -0.218 121.040 121.223 0.058 0.000 2.043 287 L HA -0.266 4.074 4.340 0.001 0.000 0.212 287 L C 2.340 179.170 176.870 -0.066 0.000 1.075 287 L CA 2.134 56.964 54.840 -0.017 0.000 0.752 287 L CB -1.301 40.783 42.059 0.042 0.000 0.891 287 L HN 0.427 nan 8.230 nan 0.000 0.432 288 C N -0.207 119.083 119.300 -0.017 0.000 2.432 288 C HA -0.103 4.358 4.460 0.001 0.000 0.277 288 C C 2.666 177.628 174.990 -0.047 0.000 1.249 288 C CA 0.738 59.757 59.018 0.002 0.000 1.725 288 C CB -0.966 26.818 27.740 0.074 0.000 2.028 288 C HN 0.583 nan 8.230 nan 0.000 0.477 289 E N 0.972 121.117 120.200 -0.092 0.000 2.077 289 E HA -0.140 4.210 4.350 0.001 0.000 0.193 289 E C 2.381 178.875 176.600 -0.175 0.000 0.989 289 E CA 1.494 57.820 56.400 -0.123 0.000 0.800 289 E CB -0.637 28.982 29.700 -0.135 0.000 0.746 289 E HN 0.662 nan 8.360 nan 0.000 0.452 290 A N 0.978 123.631 122.820 -0.279 0.000 1.940 290 A HA -0.122 4.198 4.320 0.001 0.000 0.219 290 A C 2.144 179.652 177.584 -0.125 0.000 1.176 290 A CA 1.037 52.930 52.037 -0.240 0.000 0.631 290 A CB -0.498 18.324 19.000 -0.296 0.000 0.814 290 A HN 0.195 nan 8.150 nan 0.000 0.446 291 L N -0.815 120.351 121.223 -0.094 0.000 2.629 291 L HA 0.108 4.449 4.340 0.001 0.000 0.230 291 L C 0.597 177.442 176.870 -0.042 0.000 1.151 291 L CA 0.026 54.832 54.840 -0.057 0.000 0.924 291 L CB -0.371 41.666 42.059 -0.038 0.000 1.137 291 L HN 0.491 nan 8.230 nan 0.000 0.457 292 N N 1.255 119.927 118.700 -0.047 0.000 2.758 292 N HA -0.209 4.532 4.740 0.001 0.000 0.248 292 N C -0.616 174.883 175.510 -0.018 0.000 1.076 292 N CA 0.649 53.680 53.050 -0.032 0.000 0.696 292 N CB -1.212 37.258 38.487 -0.028 0.000 0.979 292 N HN 0.333 nan 8.380 nan 0.000 0.550 293 L N 0.356 121.573 121.223 -0.011 0.000 2.679 293 L HA 0.337 4.677 4.340 0.001 0.000 0.238 293 L C -1.290 175.593 176.870 0.023 0.000 1.330 293 L CA -1.375 53.471 54.840 0.010 0.000 0.935 293 L CB 1.138 43.213 42.059 0.025 0.000 1.243 293 L HN -0.017 nan 8.230 nan 0.000 0.484 294 P HA -0.102 nan 4.420 nan 0.000 0.221 294 P C 0.900 178.221 177.300 0.035 0.000 1.150 294 P CA 1.082 64.195 63.100 0.021 0.000 0.800 294 P CB 0.616 32.321 31.700 0.008 0.000 0.787 295 E N -0.003 120.212 120.200 0.025 0.000 2.072 295 E HA -0.097 4.254 4.350 0.001 0.000 0.191 295 E C 2.142 178.770 176.600 0.048 0.000 0.985 295 E CA 0.954 57.367 56.400 0.022 0.000 0.801 295 E CB -1.180 28.517 29.700 -0.004 0.000 0.750 295 E HN 0.026 nan 8.360 nan 0.000 0.452 296 V N 1.054 121.005 119.914 0.063 0.000 2.358 296 V HA -0.247 3.873 4.120 0.001 0.000 0.246 296 V C 2.226 178.471 176.094 0.251 0.000 1.047 296 V CA 1.716 64.099 62.300 0.137 0.000 1.035 296 V CB -0.874 31.045 31.823 0.161 0.000 0.658 296 V HN 0.345 nan 8.190 nan 0.000 0.452 297 A N 1.547 124.475 122.820 0.180 0.000 1.883 297 A HA -0.258 4.062 4.320 0.001 0.000 0.217 297 A C 2.389 180.072 177.584 0.164 0.000 1.186 297 A CA 2.186 54.334 52.037 0.184 0.000 0.624 297 A CB -0.553 18.510 19.000 0.105 0.000 0.822 297 A HN 0.693 nan 8.150 nan 0.000 0.444 298 R N -2.316 118.248 120.500 0.106 0.000 2.148 298 R HA -0.122 4.219 4.340 0.001 0.000 0.223 298 R C 2.030 178.351 176.300 0.035 0.000 1.088 298 R CA 1.538 57.676 56.100 0.063 0.000 0.985 298 R CB -0.744 29.577 30.300 0.035 0.000 0.880 298 R HN 0.492 nan 8.270 nan 0.000 0.451 299 Y N 0.817 121.052 120.300 -0.109 0.000 2.097 299 Y HA -0.227 4.323 4.550 0.001 0.000 0.282 299 Y C 1.524 177.216 175.900 -0.346 0.000 1.152 299 Y CA 1.902 59.826 58.100 -0.294 0.000 1.136 299 Y CB -0.362 37.826 38.460 -0.452 0.000 0.975 299 Y HN 0.058 nan 8.280 nan 0.000 0.498 300 W N -0.082 121.261 121.300 0.072 0.000 2.467 300 W HA -0.095 4.565 4.660 0.001 0.000 0.275 300 W C 2.541 179.038 176.519 -0.036 0.000 1.239 300 W CA 0.892 58.229 57.345 -0.013 0.000 1.266 300 W CB -0.478 29.023 29.460 0.068 0.000 1.112 300 W HN 0.116 nan 8.180 nan 0.000 0.576 301 Q N 0.623 120.528 119.800 0.175 0.000 2.152 301 Q HA -0.250 4.090 4.340 0.001 0.000 0.206 301 Q C 2.100 178.124 176.000 0.040 0.000 0.985 301 Q CA 1.672 57.539 55.803 0.106 0.000 0.863 301 Q CB -0.477 28.307 28.738 0.078 0.000 0.904 301 Q HN 0.154 nan 8.270 nan 0.000 0.422 302 Q N -0.637 119.135 119.800 -0.046 0.000 2.181 302 Q HA -0.117 4.223 4.340 0.001 0.000 0.205 302 Q C 2.108 178.081 176.000 -0.044 0.000 0.980 302 Q CA 1.389 57.137 55.803 -0.092 0.000 0.862 302 Q CB -0.331 28.279 28.738 -0.213 0.000 0.905 302 Q HN 0.359 nan 8.270 nan 0.000 0.429 303 V N 0.965 120.881 119.914 0.003 0.000 2.343 303 V HA -0.240 3.880 4.120 0.001 0.000 0.247 303 V C 2.212 178.413 176.094 0.179 0.000 1.051 303 V CA 1.243 63.604 62.300 0.102 0.000 1.036 303 V CB -0.419 31.515 31.823 0.184 0.000 0.654 303 V HN 0.257 nan 8.190 nan 0.000 0.451 304 I N 0.028 120.692 120.570 0.157 0.000 2.286 304 I HA -0.120 4.051 4.170 0.001 0.000 0.245 304 I C 2.225 178.360 176.117 0.029 0.000 1.104 304 I CA 1.357 62.729 61.300 0.121 0.000 1.397 304 I CB -1.361 36.708 38.000 0.116 0.000 1.072 304 I HN 0.309 nan 8.210 nan 0.000 0.417 305 D N 0.356 120.773 120.400 0.028 0.000 2.144 305 D HA -0.203 4.437 4.640 0.001 0.000 0.199 305 D C 2.099 178.416 176.300 0.028 0.000 0.984 305 D CA 1.044 55.052 54.000 0.013 0.000 0.834 305 D CB -0.183 40.614 40.800 -0.005 0.000 0.955 305 D HN 0.169 nan 8.370 nan 0.000 0.465 306 M N 0.688 120.305 119.600 0.029 0.000 2.132 306 M HA -0.090 4.390 4.480 0.001 0.000 0.263 306 M C 1.524 177.854 176.300 0.050 0.000 1.065 306 M CA 1.332 56.678 55.300 0.077 0.000 1.122 306 M CB -0.508 32.125 32.600 0.055 0.000 1.365 306 M HN -0.168 nan 8.290 nan 0.000 0.411 307 N N 0.476 119.138 118.700 -0.063 0.000 2.104 307 N HA -0.177 4.563 4.740 0.001 0.000 0.190 307 N C 1.167 176.542 175.510 -0.224 0.000 1.024 307 N CA 1.899 54.785 53.050 -0.274 0.000 0.853 307 N CB -0.263 37.802 38.487 -0.704 0.000 1.008 307 N HN 0.406 nan 8.380 nan 0.000 0.424 308 D N -1.048 119.270 120.400 -0.138 0.000 2.144 308 D HA -0.170 4.470 4.640 0.001 0.000 0.199 308 D C 1.618 177.923 176.300 0.009 0.000 0.984 308 D CA 0.741 54.690 54.000 -0.085 0.000 0.834 308 D CB -0.498 40.281 40.800 -0.034 0.000 0.955 308 D HN 0.408 nan 8.370 nan 0.000 0.465 309 Y N 1.663 121.919 120.300 -0.073 0.000 2.145 309 Y HA -0.248 4.302 4.550 0.001 0.000 0.286 309 Y C 2.414 178.282 175.900 -0.054 0.000 1.145 309 Y CA 1.834 59.900 58.100 -0.057 0.000 1.148 309 Y CB -0.498 37.933 38.460 -0.049 0.000 0.981 309 Y HN -0.139 nan 8.280 nan 0.000 0.507 310 Q N 0.603 120.251 119.800 -0.252 0.000 2.096 310 Q HA -0.195 4.145 4.340 0.001 0.000 0.204 310 Q C 2.278 178.145 176.000 -0.220 0.000 0.982 310 Q CA 2.152 57.767 55.803 -0.313 0.000 0.850 310 Q CB -0.197 28.441 28.738 -0.167 0.000 0.901 310 Q HN 0.511 nan 8.270 nan 0.000 0.422 311 R N -0.722 119.690 120.500 -0.148 0.000 2.066 311 R HA -0.050 4.291 4.340 0.001 0.000 0.232 311 R C 2.509 178.800 176.300 -0.014 0.000 1.131 311 R CA 1.511 57.594 56.100 -0.029 0.000 0.955 311 R CB -0.323 29.984 30.300 0.011 0.000 0.851 311 R HN 0.201 nan 8.270 nan 0.000 0.432 312 R N 1.458 121.886 120.500 -0.121 0.000 2.081 312 R HA -0.145 4.195 4.340 0.001 0.000 0.235 312 R C 2.369 178.472 176.300 -0.330 0.000 1.131 312 R CA 1.801 57.686 56.100 -0.358 0.000 0.960 312 R CB -0.093 30.068 30.300 -0.231 0.000 0.856 312 R HN 0.206 nan 8.270 nan 0.000 0.436 313 R N -0.840 119.472 120.500 -0.313 0.000 2.148 313 R HA -0.128 4.212 4.340 0.001 0.000 0.227 313 R C 1.951 178.150 176.300 -0.169 0.000 1.103 313 R CA 1.284 57.208 56.100 -0.293 0.000 0.983 313 R CB -0.720 29.279 30.300 -0.501 0.000 0.874 313 R HN 0.220 nan 8.270 nan 0.000 0.451 314 F N 2.212 122.004 119.950 -0.263 0.000 2.113 314 F HA 0.024 4.552 4.527 0.001 0.000 0.297 314 F C 2.490 178.147 175.800 -0.239 0.000 1.103 314 F CA 1.364 59.245 58.000 -0.197 0.000 1.248 314 F CB -0.465 38.454 39.000 -0.135 0.000 0.999 314 F HN 0.137 nan 8.300 nan 0.000 0.475 315 A N -0.790 121.915 122.820 -0.191 0.000 1.902 315 A HA -0.165 4.155 4.320 0.001 0.000 0.217 315 A C 2.372 179.727 177.584 -0.382 0.000 1.181 315 A CA 2.043 53.897 52.037 -0.304 0.000 0.623 315 A CB -1.225 17.630 19.000 -0.242 0.000 0.818 315 A HN 0.412 nan 8.150 nan 0.000 0.443 316 S N -0.949 114.546 115.700 -0.342 0.000 2.383 316 S HA -0.140 4.331 4.470 0.001 0.000 0.227 316 S C 2.098 176.524 174.600 -0.290 0.000 1.026 316 S CA 1.126 59.158 58.200 -0.281 0.000 0.981 316 S CB -0.341 62.729 63.200 -0.216 0.000 0.818 316 S HN 0.649 nan 8.310 nan 0.000 0.472 317 R N 0.983 121.291 120.500 -0.319 0.000 2.081 317 R HA -0.068 4.273 4.340 0.001 0.000 0.235 317 R C 2.071 178.082 176.300 -0.483 0.000 1.131 317 R CA 1.350 57.269 56.100 -0.302 0.000 0.960 317 R CB -0.446 29.712 30.300 -0.236 0.000 0.856 317 R HN 0.395 nan 8.270 nan 0.000 0.436 318 I N 0.566 120.633 120.570 -0.840 0.000 2.163 318 I HA -0.294 3.876 4.170 0.001 0.000 0.240 318 I C 2.325 178.039 176.117 -0.672 0.000 1.081 318 I CA 1.283 61.858 61.300 -1.208 0.000 1.353 318 I CB -0.206 37.062 38.000 -1.220 0.000 1.054 318 I HN 0.155 nan 8.210 nan 0.000 0.407 319 I N 0.598 120.886 120.570 -0.470 0.000 2.179 319 I HA -0.300 3.870 4.170 0.001 0.000 0.242 319 I C 2.053 178.001 176.117 -0.282 0.000 1.088 319 I CA 1.403 62.509 61.300 -0.324 0.000 1.357 319 I CB -0.508 37.352 38.000 -0.234 0.000 1.051 319 I HN 0.223 nan 8.210 nan 0.000 0.409 320 D N 0.457 120.706 120.400 -0.252 0.000 2.097 320 D HA -0.137 4.503 4.640 0.001 0.000 0.195 320 D C 2.417 178.587 176.300 -0.216 0.000 0.989 320 D CA 1.344 55.238 54.000 -0.177 0.000 0.827 320 D CB -0.247 40.477 40.800 -0.126 0.000 0.966 320 D HN 0.140 nan 8.370 nan 0.000 0.456 321 S N 0.046 115.578 115.700 -0.280 0.000 2.382 321 S HA -0.074 4.396 4.470 0.001 0.000 0.228 321 S C 1.169 175.271 174.600 -0.830 0.000 1.027 321 S CA 0.345 58.335 58.200 -0.351 0.000 0.991 321 S CB -0.035 63.083 63.200 -0.136 0.000 0.823 321 S HN 0.118 nan 8.310 nan 0.000 0.469 322 L N 2.094 122.820 121.223 -0.829 0.000 2.919 322 L HA 0.319 4.660 4.340 0.001 0.000 0.242 322 L C -0.366 176.177 176.870 -0.546 0.000 1.366 322 L CA 0.272 54.569 54.840 -0.906 0.000 1.212 322 L CB -1.867 39.845 42.059 -0.577 0.000 1.604 322 L HN 0.217 nan 8.230 nan 0.000 0.433 323 F N -0.832 119.058 119.950 -0.101 0.000 3.093 323 F HA -0.398 4.129 4.527 0.001 0.000 0.287 323 F C 1.134 176.895 175.800 -0.065 0.000 0.882 323 F CA 0.420 58.393 58.000 -0.045 0.000 1.063 323 F CB -2.134 36.861 39.000 -0.008 0.000 1.097 323 F HN 0.606 nan 8.300 nan 0.000 0.604 324 N N -1.361 117.327 118.700 -0.021 0.000 2.800 324 N HA -0.200 4.540 4.740 0.001 0.000 0.250 324 N C 0.064 175.549 175.510 -0.042 0.000 1.078 324 N CA 1.406 54.432 53.050 -0.040 0.000 0.804 324 N CB -1.060 37.426 38.487 -0.001 0.000 1.135 324 N HN 0.628 nan 8.380 nan 0.000 0.565 325 T N -1.175 113.347 114.554 -0.053 0.000 3.105 325 T HA 0.472 4.823 4.350 0.001 0.000 0.321 325 T C 0.295 174.925 174.700 -0.117 0.000 1.135 325 T CA -0.121 61.940 62.100 -0.065 0.000 1.053 325 T CB 1.653 70.504 68.868 -0.028 0.000 1.133 325 T HN 0.165 nan 8.240 nan 0.000 0.463 326 V N 1.481 121.313 119.914 -0.136 0.000 3.346 326 V HA 0.434 4.554 4.120 0.001 0.000 0.309 326 V C 0.665 176.659 176.094 -0.168 0.000 1.457 326 V CA -0.191 62.003 62.300 -0.176 0.000 1.069 326 V CB -0.270 31.447 31.823 -0.177 0.000 0.944 326 V HN 0.834 nan 8.190 nan 0.000 0.449 327 T N 2.925 117.399 114.554 -0.133 0.000 2.871 327 T HA 0.156 4.506 4.350 0.001 0.000 0.296 327 T C 0.566 175.150 174.700 -0.192 0.000 0.998 327 T CA 1.305 63.322 62.100 -0.137 0.000 1.162 327 T CB 0.062 68.881 68.868 -0.081 0.000 0.947 327 T HN 0.690 nan 8.240 nan 0.000 0.536 328 D N 0.458 120.657 120.400 -0.334 0.000 2.978 328 D HA -0.140 4.500 4.640 0.001 0.000 0.205 328 D C 0.096 176.176 176.300 -0.367 0.000 1.093 328 D CA 1.195 54.897 54.000 -0.496 0.000 1.006 328 D CB -0.608 40.102 40.800 -0.150 0.000 1.116 328 D HN 0.593 nan 8.370 nan 0.000 0.419 329 K N 1.003 121.235 120.400 -0.280 0.000 2.234 329 K HA 0.261 4.582 4.320 0.001 0.000 0.282 329 K C 0.560 177.182 176.600 0.037 0.000 1.039 329 K CA -0.436 55.761 56.287 -0.150 0.000 0.928 329 K CB 1.719 33.976 32.500 -0.405 0.000 1.039 329 K HN -0.010 nan 8.250 nan 0.000 0.470 330 K N 4.224 124.780 120.400 0.260 0.000 2.379 330 K HA 0.180 4.500 4.320 0.001 0.000 0.284 330 K C -0.780 175.944 176.600 0.206 0.000 1.044 330 K CA 0.007 56.438 56.287 0.240 0.000 0.974 330 K CB 0.352 32.930 32.500 0.129 0.000 0.962 330 K HN 0.491 nan 8.250 nan 0.000 0.474 331 I N 3.593 124.272 120.570 0.181 0.000 2.533 331 I HA 0.287 4.457 4.170 0.001 0.000 0.290 331 I C -0.477 175.737 176.117 0.162 0.000 1.056 331 I CA -1.053 60.340 61.300 0.154 0.000 1.057 331 I CB 2.059 40.121 38.000 0.104 0.000 1.240 331 I HN 0.686 nan 8.210 nan 0.000 0.423 332 A N 7.565 130.467 122.820 0.136 0.000 2.320 332 A HA 0.649 4.969 4.320 0.001 0.000 0.287 332 A C -0.429 177.231 177.584 0.126 0.000 1.181 332 A CA -0.272 51.840 52.037 0.124 0.000 0.831 332 A CB 0.212 19.253 19.000 0.068 0.000 1.102 332 A HN 0.513 nan 8.150 nan 0.000 0.513 333 I N 4.107 124.765 120.570 0.145 0.000 2.328 333 I HA 0.225 4.396 4.170 0.001 0.000 0.287 333 I C -0.453 175.738 176.117 0.123 0.000 1.012 333 I CA -0.153 61.239 61.300 0.155 0.000 1.195 333 I CB 0.786 38.919 38.000 0.222 0.000 1.350 333 I HN 0.499 nan 8.210 nan 0.000 0.464 334 L N 6.025 127.244 121.223 -0.008 0.000 2.264 334 L HA 0.685 5.025 4.340 0.001 0.000 0.287 334 L C 0.504 177.363 176.870 -0.018 0.000 1.039 334 L CA -0.449 54.246 54.840 -0.242 0.000 0.829 334 L CB 1.061 42.557 42.059 -0.938 0.000 1.211 334 L HN 0.861 nan 8.230 nan 0.000 0.427 335 G N 2.045 111.082 108.800 0.395 0.000 3.355 335 G HA2 -0.201 3.760 3.960 0.001 0.000 0.686 335 G HA3 -0.201 3.760 3.960 0.001 0.000 0.686 335 G C -0.823 174.342 174.900 0.441 0.000 1.097 335 G CA -0.621 44.846 45.100 0.612 0.000 0.881 335 G HN 0.515 nan 8.290 nan 0.000 0.550 336 F N 2.205 122.318 119.950 0.270 0.000 2.747 336 F HA 0.641 5.168 4.527 0.001 0.000 0.305 336 F C 1.829 177.746 175.800 0.194 0.000 1.065 336 F CA 1.256 59.364 58.000 0.179 0.000 1.230 336 F CB 0.285 39.351 39.000 0.109 0.000 1.027 336 F HN 1.031 nan 8.300 nan 0.000 0.607 337 A N 0.776 123.815 122.820 0.364 0.000 2.492 337 A HA 0.123 4.443 4.320 0.001 0.000 0.236 337 A C 0.773 178.393 177.584 0.061 0.000 1.078 337 A CA 0.276 52.452 52.037 0.231 0.000 0.773 337 A CB -0.556 18.610 19.000 0.277 0.000 1.023 337 A HN 0.561 nan 8.150 nan 0.000 0.504 338 F N -0.186 119.739 119.950 -0.042 0.000 2.661 338 F HA 0.280 4.808 4.527 0.001 0.000 0.298 338 F C 0.586 176.313 175.800 -0.122 0.000 1.137 338 F CA 0.469 58.417 58.000 -0.087 0.000 1.454 338 F CB -0.216 38.735 39.000 -0.083 0.000 1.103 338 F HN 0.610 nan 8.300 nan 0.000 0.577 339 K N 0.292 120.228 120.400 -0.773 0.000 2.658 339 K HA 0.305 4.625 4.320 0.001 0.000 0.293 339 K C -1.348 174.751 176.600 -0.836 0.000 1.026 339 K CA -1.216 54.646 56.287 -0.709 0.000 0.871 339 K CB 1.203 33.241 32.500 -0.770 0.000 1.524 339 K HN 0.139 nan 8.250 nan 0.000 0.400 340 K N 0.311 120.195 120.400 -0.859 0.000 2.180 340 K HA 0.158 4.478 4.320 0.001 0.000 0.251 340 K C -0.756 175.354 176.600 -0.818 0.000 1.014 340 K CA 0.261 55.769 56.287 -1.298 0.000 0.913 340 K CB 0.204 32.127 32.500 -0.961 0.000 1.008 340 K HN 0.661 nan 8.250 nan 0.000 0.490 341 D N -0.679 119.280 120.400 -0.735 0.000 2.981 341 D HA -0.145 4.495 4.640 0.001 0.000 0.223 341 D C -0.902 175.492 176.300 0.157 0.000 1.151 341 D CA 1.715 55.730 54.000 0.025 0.000 0.827 341 D CB -1.316 39.471 40.800 -0.022 0.000 1.101 341 D HN 0.748 nan 8.370 nan 0.000 0.426 342 T N -2.470 112.183 114.554 0.166 0.000 2.894 342 T HA 0.579 4.930 4.350 0.001 0.000 0.309 342 T C 0.928 175.882 174.700 0.424 0.000 1.208 342 T CA 0.077 62.356 62.100 0.299 0.000 1.016 342 T CB 1.726 70.615 68.868 0.035 0.000 1.192 342 T HN -0.062 nan 8.240 nan 0.000 0.491 343 G N 1.303 110.364 108.800 0.435 0.000 3.042 343 G HA2 0.168 4.129 3.960 0.001 0.000 0.212 343 G HA3 0.168 4.129 3.960 0.001 0.000 0.212 343 G C 0.231 175.317 174.900 0.310 0.000 1.166 343 G CA -0.121 45.178 45.100 0.331 0.000 0.767 343 G HN 0.664 nan 8.290 nan 0.000 0.546 344 D N 0.851 121.442 120.400 0.319 0.000 2.390 344 D HA 0.216 4.857 4.640 0.001 0.000 0.249 344 D C 1.592 178.085 176.300 0.323 0.000 1.144 344 D CA 0.282 54.442 54.000 0.267 0.000 0.880 344 D CB 1.445 42.308 40.800 0.106 0.000 1.182 344 D HN 0.097 nan 8.370 nan 0.000 0.451 345 T N 0.445 115.145 114.554 0.244 0.000 3.044 345 T HA 0.193 4.544 4.350 0.001 0.000 0.260 345 T C 0.879 175.636 174.700 0.095 0.000 1.019 345 T CA -0.417 61.813 62.100 0.216 0.000 0.921 345 T CB 0.061 69.096 68.868 0.278 0.000 1.053 345 T HN 0.222 nan 8.240 nan 0.000 0.533 346 R N 2.583 123.087 120.500 0.006 0.000 2.480 346 R HA 0.078 4.418 4.340 0.001 0.000 0.303 346 R C 0.127 176.342 176.300 -0.141 0.000 0.985 346 R CA 0.140 56.185 56.100 -0.093 0.000 1.051 346 R CB -0.011 30.184 30.300 -0.174 0.000 0.935 346 R HN 0.298 nan 8.270 nan 0.000 0.410 347 E N -0.331 119.856 120.200 -0.022 0.000 2.883 347 E HA -0.234 4.117 4.350 0.001 0.000 0.271 347 E C -0.338 176.331 176.600 0.115 0.000 1.049 347 E CA 1.044 57.503 56.400 0.098 0.000 0.817 347 E CB -1.376 28.349 29.700 0.043 0.000 1.407 347 E HN 0.609 nan 8.360 nan 0.000 0.434 348 S N -0.274 115.456 115.700 0.050 0.000 2.552 348 S HA 0.128 4.599 4.470 0.001 0.000 0.289 348 S C 1.522 176.162 174.600 0.067 0.000 1.304 348 S CA 0.488 58.712 58.200 0.041 0.000 1.063 348 S CB 0.911 64.047 63.200 -0.107 0.000 0.848 348 S HN 0.230 nan 8.310 nan 0.000 0.499 349 S N 3.852 119.586 115.700 0.057 0.000 2.419 349 S HA -0.103 4.368 4.470 0.001 0.000 0.235 349 S C 2.088 176.709 174.600 0.035 0.000 1.019 349 S CA 1.515 59.754 58.200 0.065 0.000 0.982 349 S CB -0.315 62.866 63.200 -0.032 0.000 0.789 349 S HN 0.790 nan 8.310 nan 0.000 0.490 350 S N 1.489 117.115 115.700 -0.123 0.000 2.399 350 S HA -0.015 4.456 4.470 0.001 0.000 0.231 350 S C 1.692 176.110 174.600 -0.304 0.000 1.022 350 S CA 0.906 58.969 58.200 -0.229 0.000 0.983 350 S CB -0.358 62.565 63.200 -0.462 0.000 0.803 350 S HN 0.479 nan 8.310 nan 0.000 0.480 351 I N -0.075 120.240 120.570 -0.424 0.000 2.202 351 I HA -0.196 3.974 4.170 0.001 0.000 0.242 351 I C 2.003 177.980 176.117 -0.233 0.000 1.091 351 I CA 1.406 62.527 61.300 -0.298 0.000 1.368 351 I CB -0.394 37.384 38.000 -0.370 0.000 1.058 351 I HN 0.258 nan 8.210 nan 0.000 0.410 352 Y N 0.246 120.472 120.300 -0.124 0.000 2.200 352 Y HA -0.182 4.369 4.550 0.001 0.000 0.290 352 Y C 2.468 178.311 175.900 -0.094 0.000 1.137 352 Y CA 0.997 58.998 58.100 -0.166 0.000 1.163 352 Y CB -0.222 38.172 38.460 -0.110 0.000 0.988 352 Y HN 0.037 nan 8.280 nan 0.000 0.518 353 I N -0.806 119.894 120.570 0.216 0.000 2.252 353 I HA -0.258 3.913 4.170 0.001 0.000 0.245 353 I C 2.287 178.508 176.117 0.174 0.000 1.102 353 I CA 1.299 62.765 61.300 0.276 0.000 1.385 353 I CB -1.477 36.687 38.000 0.273 0.000 1.064 353 I HN 0.110 nan 8.210 nan 0.000 0.414 354 S N 0.736 116.508 115.700 0.121 0.000 2.370 354 S HA -0.179 4.292 4.470 0.001 0.000 0.226 354 S C 1.957 176.591 174.600 0.056 0.000 1.033 354 S CA 1.268 59.541 58.200 0.121 0.000 1.011 354 S CB -0.156 63.170 63.200 0.210 0.000 0.852 354 S HN 0.438 nan 8.310 nan 0.000 0.457 355 K N -0.061 120.319 120.400 -0.035 0.000 2.097 355 K HA -0.037 4.283 4.320 0.001 0.000 0.205 355 K C 1.859 178.413 176.600 -0.077 0.000 1.050 355 K CA 1.157 57.380 56.287 -0.106 0.000 0.938 355 K CB -0.279 32.078 32.500 -0.239 0.000 0.718 355 K HN 0.449 nan 8.250 nan 0.000 0.442 356 Y N 1.130 121.443 120.300 0.023 0.000 2.165 356 Y HA -0.221 4.330 4.550 0.001 0.000 0.286 356 Y C 2.140 178.026 175.900 -0.022 0.000 1.155 356 Y CA 0.755 58.857 58.100 0.003 0.000 1.164 356 Y CB -0.118 38.343 38.460 0.001 0.000 0.978 356 Y HN -0.025 nan 8.280 nan 0.000 0.513 357 L N -0.992 120.311 121.223 0.134 0.000 2.109 357 L HA -0.215 4.125 4.340 0.001 0.000 0.207 357 L C 2.235 179.126 176.870 0.034 0.000 1.086 357 L CA 1.070 55.939 54.840 0.047 0.000 0.760 357 L CB -0.434 41.641 42.059 0.026 0.000 0.910 357 L HN 0.332 nan 8.230 nan 0.000 0.437 358 M N -0.468 119.158 119.600 0.043 0.000 2.229 358 M HA -0.181 4.299 4.480 0.001 0.000 0.264 358 M C 1.597 177.912 176.300 0.025 0.000 1.063 358 M CA 1.370 56.691 55.300 0.034 0.000 1.114 358 M CB -0.377 32.240 32.600 0.028 0.000 1.387 358 M HN 0.140 nan 8.290 nan 0.000 0.420 359 D N 0.391 120.810 120.400 0.031 0.000 2.221 359 D HA -0.140 4.500 4.640 0.001 0.000 0.204 359 D C 1.825 178.140 176.300 0.024 0.000 0.982 359 D CA 1.045 55.065 54.000 0.033 0.000 0.857 359 D CB -0.215 40.623 40.800 0.062 0.000 0.934 359 D HN 0.367 nan 8.370 nan 0.000 0.475 360 E N -0.465 119.744 120.200 0.015 0.000 2.371 360 E HA 0.094 4.444 4.350 0.001 0.000 0.194 360 E C 1.463 178.044 176.600 -0.032 0.000 1.012 360 E CA 0.661 57.052 56.400 -0.015 0.000 0.860 360 E CB 0.348 30.026 29.700 -0.038 0.000 0.811 360 E HN 0.314 nan 8.360 nan 0.000 0.502 361 G N 1.279 110.066 108.800 -0.020 0.000 2.130 361 G HA2 -0.250 3.710 3.960 0.001 0.000 0.216 361 G HA3 -0.250 3.710 3.960 0.001 0.000 0.216 361 G C 0.462 175.300 174.900 -0.103 0.000 0.999 361 G CA 0.156 45.237 45.100 -0.031 0.000 0.686 361 G HN 0.499 nan 8.290 nan 0.000 0.515 362 A N -0.100 122.673 122.820 -0.078 0.000 2.425 362 A HA 0.582 4.902 4.320 0.001 0.000 0.242 362 A C 0.261 177.852 177.584 0.012 0.000 1.077 362 A CA 0.162 52.139 52.037 -0.100 0.000 0.781 362 A CB 0.147 19.123 19.000 -0.041 0.000 1.020 362 A HN 0.657 nan 8.150 nan 0.000 0.494 363 H N 1.243 120.362 119.070 0.081 0.000 2.690 363 H HA 0.378 4.934 4.556 0.001 0.000 0.289 363 H C -0.701 174.745 175.328 0.196 0.000 1.089 363 H CA -0.513 55.609 56.048 0.124 0.000 1.299 363 H CB 0.484 30.347 29.762 0.167 0.000 1.405 363 H HN 0.465 nan 8.280 nan 0.000 0.463 364 L N 4.611 125.981 121.223 0.245 0.000 2.276 364 L HA 0.256 4.596 4.340 0.001 0.000 0.286 364 L C 0.235 177.206 176.870 0.169 0.000 1.061 364 L CA -0.358 54.607 54.840 0.209 0.000 0.807 364 L CB 0.685 42.822 42.059 0.129 0.000 1.177 364 L HN 0.652 nan 8.230 nan 0.000 0.429 365 H N 5.105 124.225 119.070 0.084 0.000 2.595 365 H HA 0.454 5.010 4.556 0.001 0.000 0.313 365 H C -0.601 174.772 175.328 0.075 0.000 1.023 365 H CA -0.567 55.520 56.048 0.065 0.000 1.218 365 H CB 1.913 31.713 29.762 0.064 0.000 1.403 365 H HN 0.435 nan 8.280 nan 0.000 0.477 366 I N 3.828 124.469 120.570 0.118 0.000 2.354 366 I HA 0.128 4.299 4.170 0.001 0.000 0.292 366 I C -0.795 175.403 176.117 0.135 0.000 0.989 366 I CA -0.778 60.587 61.300 0.108 0.000 1.188 366 I CB 1.183 39.178 38.000 -0.007 0.000 1.342 366 I HN 0.470 nan 8.210 nan 0.000 0.457 367 Y N 6.134 126.470 120.300 0.059 0.000 2.376 367 Y HA 0.518 5.068 4.550 0.001 0.000 0.340 367 Y C -1.136 174.843 175.900 0.132 0.000 0.965 367 Y CA -0.650 57.483 58.100 0.055 0.000 1.078 367 Y CB 1.367 39.849 38.460 0.036 0.000 1.193 367 Y HN 0.527 nan 8.280 nan 0.000 0.452 368 D N 7.437 127.295 120.400 -0.902 0.000 2.947 368 D HA 0.256 4.897 4.640 0.001 0.000 0.224 368 D C -2.370 173.259 176.300 -1.118 0.000 1.230 368 D CA -1.811 51.729 54.000 -0.766 0.000 0.871 368 D CB 3.222 43.936 40.800 -0.144 0.000 1.671 368 D HN 0.354 nan 8.370 nan 0.000 0.507 369 P HA 0.007 nan 4.420 nan 0.000 0.226 369 P C 0.690 177.598 177.300 -0.652 0.000 1.153 369 P CA 0.724 63.324 63.100 -0.833 0.000 0.777 369 P CB 0.864 32.010 31.700 -0.922 0.000 0.794 370 K N -1.218 118.810 120.400 -0.620 0.000 2.462 370 K HA 0.167 4.487 4.320 0.001 0.000 0.201 370 K C 0.296 176.813 176.600 -0.138 0.000 1.268 370 K CA 0.185 56.257 56.287 -0.359 0.000 0.933 370 K CB -0.021 32.321 32.500 -0.264 0.000 1.162 370 K HN -0.158 nan 8.250 nan 0.000 0.527 371 V N 5.030 124.907 119.914 -0.062 0.000 2.529 371 V HA 0.109 4.230 4.120 0.001 0.000 0.292 371 V C -2.207 173.853 176.094 -0.058 0.000 1.028 371 V CA -1.319 60.996 62.300 0.025 0.000 1.074 371 V CB 0.320 32.221 31.823 0.131 0.000 0.958 371 V HN 0.173 nan 8.190 nan 0.000 0.481 372 P HA 0.143 nan 4.420 nan 0.000 0.271 372 P C 0.736 177.989 177.300 -0.078 0.000 1.216 372 P CA -0.416 62.649 63.100 -0.059 0.000 0.771 372 P CB 0.492 32.170 31.700 -0.037 0.000 0.864 373 R N 2.428 122.872 120.500 -0.094 0.000 2.117 373 R HA -0.235 4.105 4.340 0.001 0.000 0.243 373 R C 1.114 177.350 176.300 -0.107 0.000 1.143 373 R CA 1.695 57.726 56.100 -0.115 0.000 0.968 373 R CB -0.918 29.326 30.300 -0.093 0.000 0.863 373 R HN 0.272 nan 8.270 nan 0.000 0.444 374 E N 0.841 120.998 120.200 -0.073 0.000 2.085 374 E HA -0.235 4.115 4.350 0.001 0.000 0.194 374 E C 2.032 178.603 176.600 -0.049 0.000 0.994 374 E CA 1.599 57.965 56.400 -0.056 0.000 0.801 374 E CB -0.179 29.497 29.700 -0.039 0.000 0.743 374 E HN 0.377 nan 8.360 nan 0.000 0.453 375 Q N 0.408 120.186 119.800 -0.036 0.000 2.124 375 Q HA -0.068 4.272 4.340 0.001 0.000 0.202 375 Q C 1.853 177.838 176.000 -0.026 0.000 0.977 375 Q CA 1.281 57.085 55.803 0.001 0.000 0.850 375 Q CB -0.153 28.615 28.738 0.051 0.000 0.901 375 Q HN 0.384 nan 8.270 nan 0.000 0.429 376 I N -0.902 119.577 120.570 -0.152 0.000 2.226 376 I HA -0.248 3.923 4.170 0.001 0.000 0.245 376 I C 1.982 177.965 176.117 -0.222 0.000 1.100 376 I CA 0.850 61.919 61.300 -0.386 0.000 1.374 376 I CB -0.309 37.288 38.000 -0.672 0.000 1.057 376 I HN 0.036 nan 8.210 nan 0.000 0.413 377 V N 0.411 120.236 119.914 -0.149 0.000 2.343 377 V HA -0.226 3.894 4.120 0.001 0.000 0.247 377 V C 2.465 178.530 176.094 -0.049 0.000 1.051 377 V CA 1.511 63.755 62.300 -0.094 0.000 1.036 377 V CB -0.528 31.249 31.823 -0.077 0.000 0.654 377 V HN 0.240 nan 8.190 nan 0.000 0.451 378 V N 0.271 120.167 119.914 -0.030 0.000 2.255 378 V HA -0.279 3.842 4.120 0.001 0.000 0.247 378 V C 2.333 178.435 176.094 0.013 0.000 1.051 378 V CA 2.295 64.593 62.300 -0.004 0.000 1.018 378 V CB -0.776 31.052 31.823 0.009 0.000 0.641 378 V HN 0.524 nan 8.190 nan 0.000 0.445 379 D N 0.144 120.572 120.400 0.046 0.000 2.123 379 D HA -0.126 4.514 4.640 0.001 0.000 0.196 379 D C 1.890 178.225 176.300 0.059 0.000 0.992 379 D CA 1.347 55.403 54.000 0.093 0.000 0.833 379 D CB -0.173 40.794 40.800 0.279 0.000 0.954 379 D HN 0.369 nan 8.370 nan 0.000 0.455 380 L N -0.021 121.231 121.223 0.048 0.000 2.592 380 L HA 0.098 4.439 4.340 0.001 0.000 0.227 380 L C 0.795 177.658 176.870 -0.012 0.000 1.127 380 L CA -0.006 54.847 54.840 0.023 0.000 0.884 380 L CB 0.218 42.292 42.059 0.025 0.000 1.065 380 L HN -0.207 nan 8.230 nan 0.000 0.457 381 S N -1.534 114.158 115.700 -0.014 0.000 2.672 381 S HA 0.455 4.925 4.470 0.001 0.000 0.276 381 S C 0.453 175.043 174.600 -0.018 0.000 1.207 381 S CA -0.356 57.834 58.200 -0.017 0.000 1.002 381 S CB 0.655 63.845 63.200 -0.016 0.000 0.998 381 S HN 0.430 nan 8.310 nan 0.000 0.542 390 Q N 0.518 120.317 119.800 -0.002 0.000 2.124 390 Q HA -0.097 4.243 4.340 0.001 0.000 0.202 390 Q C 1.654 177.655 176.000 0.000 0.000 0.977 390 Q CA 1.724 57.530 55.803 0.005 0.000 0.850 390 Q CB 0.248 28.989 28.738 0.006 0.000 0.901 390 Q HN 0.360 nan 8.270 nan 0.000 0.429 391 V N 0.525 120.432 119.914 -0.012 0.000 2.287 391 V HA -0.276 3.845 4.120 0.001 0.000 0.248 391 V C 2.255 178.327 176.094 -0.036 0.000 1.053 391 V CA 2.055 64.341 62.300 -0.024 0.000 1.027 391 V CB -0.605 31.199 31.823 -0.032 0.000 0.646 391 V HN 0.367 nan 8.190 nan 0.000 0.447 392 S N -0.505 115.174 115.700 -0.034 0.000 2.382 392 S HA -0.181 4.289 4.470 0.001 0.000 0.228 392 S C 2.060 176.631 174.600 -0.049 0.000 1.027 392 S CA 1.373 59.547 58.200 -0.043 0.000 0.991 392 S CB -0.294 62.887 63.200 -0.033 0.000 0.823 392 S HN 0.545 nan 8.310 nan 0.000 0.469 393 R N 0.346 120.828 120.500 -0.029 0.000 2.075 393 R HA 0.199 4.539 4.340 0.001 0.000 0.226 393 R C 1.734 178.011 176.300 -0.039 0.000 1.114 393 R CA 0.893 56.977 56.100 -0.027 0.000 0.972 393 R CB -0.149 30.159 30.300 0.014 0.000 0.869 393 R HN 0.355 nan 8.270 nan 0.000 0.437 394 L N -0.167 121.061 121.223 0.008 0.000 2.672 394 L HA 0.227 4.568 4.340 0.001 0.000 0.236 394 L C -0.128 176.754 176.870 0.020 0.000 1.092 394 L CA -0.101 54.791 54.840 0.086 0.000 0.887 394 L CB 1.082 43.215 42.059 0.124 0.000 1.168 394 L HN -0.143 nan 8.230 nan 0.000 0.502 395 V N 0.093 119.977 119.914 -0.051 0.000 2.417 395 V HA 0.407 4.527 4.120 0.001 0.000 0.291 395 V C -0.223 175.763 176.094 -0.179 0.000 1.024 395 V CA -0.276 61.969 62.300 -0.091 0.000 0.861 395 V CB 1.676 33.458 31.823 -0.069 0.000 0.985 395 V HN 0.059 nan 8.190 nan 0.000 0.436 396 T N 5.923 120.306 114.554 -0.285 0.000 2.841 396 T HA 0.664 5.015 4.350 0.001 0.000 0.283 396 T C -0.424 174.152 174.700 -0.206 0.000 1.000 396 T CA -0.263 61.637 62.100 -0.333 0.000 0.977 396 T CB 1.532 69.983 68.868 -0.696 0.000 0.979 396 T HN 0.377 nan 8.240 nan 0.000 0.446 397 I N 2.480 122.972 120.570 -0.130 0.000 2.330 397 I HA 0.316 4.487 4.170 0.001 0.000 0.289 397 I C 0.306 176.418 176.117 -0.009 0.000 1.001 397 I CA -0.419 60.833 61.300 -0.079 0.000 1.193 397 I CB 1.409 39.341 38.000 -0.114 0.000 1.345 397 I HN 0.519 nan 8.210 nan 0.000 0.461 398 S N 4.232 119.973 115.700 0.070 0.000 2.554 398 S HA 0.322 4.792 4.470 0.001 0.000 0.278 398 S C 1.175 175.881 174.600 0.176 0.000 1.242 398 S CA -0.614 57.664 58.200 0.129 0.000 1.051 398 S CB 1.714 65.020 63.200 0.178 0.000 0.986 398 S HN 0.736 nan 8.310 nan 0.000 0.502 399 K N 1.035 121.508 120.400 0.122 0.000 2.296 399 K HA 0.086 4.406 4.320 0.001 0.000 0.200 399 K C 0.219 176.904 176.600 0.141 0.000 1.048 399 K CA 1.611 57.972 56.287 0.123 0.000 0.966 399 K CB -0.694 31.840 32.500 0.057 0.000 0.754 399 K HN 0.918 nan 8.250 nan 0.000 0.466 400 D N -4.021 116.382 120.400 0.005 0.000 2.599 400 D HA 0.264 4.904 4.640 0.001 0.000 0.252 400 D C -2.551 173.449 176.300 -0.499 0.000 1.232 400 D CA -1.407 52.388 54.000 -0.343 0.000 0.819 400 D CB 1.869 42.588 40.800 -0.134 0.000 1.401 400 D HN -0.145 nan 8.370 nan 0.000 0.429 401 P HA -0.114 nan 4.420 nan 0.000 0.221 401 P C 0.809 177.841 177.300 -0.447 0.000 1.150 401 P CA 1.058 63.769 63.100 -0.648 0.000 0.800 401 P CB -0.046 31.216 31.700 -0.731 0.000 0.787 402 Y N 0.801 120.985 120.300 -0.192 0.000 2.242 402 Y HA -0.077 4.473 4.550 0.001 0.000 0.291 402 Y C 2.696 178.547 175.900 -0.081 0.000 1.137 402 Y CA 1.039 59.068 58.100 -0.120 0.000 1.181 402 Y CB -1.081 37.314 38.460 -0.109 0.000 0.989 402 Y HN 0.010 nan 8.280 nan 0.000 0.527 403 E N 0.031 120.266 120.200 0.058 0.000 2.058 403 E HA -0.256 4.095 4.350 0.001 0.000 0.194 403 E C 2.404 179.022 176.600 0.030 0.000 0.997 403 E CA 1.090 57.517 56.400 0.046 0.000 0.801 403 E CB -0.239 29.495 29.700 0.057 0.000 0.746 403 E HN 0.467 nan 8.360 nan 0.000 0.450 404 A N 0.166 122.997 122.820 0.018 0.000 1.933 404 A HA -0.180 4.141 4.320 0.001 0.000 0.218 404 A C 2.265 179.829 177.584 -0.032 0.000 1.175 404 A CA 1.238 53.304 52.037 0.049 0.000 0.628 404 A CB -0.447 18.598 19.000 0.075 0.000 0.814 404 A HN 0.392 nan 8.150 nan 0.000 0.444 405 C N -0.233 119.043 119.300 -0.040 0.000 2.594 405 C HA 0.116 4.576 4.460 0.001 0.000 0.265 405 C C 0.858 175.836 174.990 -0.020 0.000 1.351 405 C CA -0.489 58.518 59.018 -0.018 0.000 1.744 405 C CB -1.163 26.572 27.740 -0.009 0.000 1.890 405 C HN 0.571 nan 8.230 nan 0.000 0.551 406 D N 0.504 120.883 120.400 -0.034 0.000 2.382 406 D HA 0.349 4.989 4.640 0.001 0.000 0.259 406 D C 1.251 177.503 176.300 -0.081 0.000 1.224 406 D CA 1.482 55.460 54.000 -0.036 0.000 0.894 406 D CB 0.123 40.912 40.800 -0.018 0.000 1.127 406 D HN 0.493 nan 8.370 nan 0.000 0.487 407 G N 2.784 111.539 108.800 -0.075 0.000 2.153 407 G HA2 -0.171 3.789 3.960 0.001 0.000 0.252 407 G HA3 -0.171 3.789 3.960 0.001 0.000 0.252 407 G C 0.492 175.327 174.900 -0.108 0.000 0.994 407 G CA 0.369 45.410 45.100 -0.097 0.000 0.698 407 G HN 0.881 nan 8.290 nan 0.000 0.521 408 A N -0.568 122.207 122.820 -0.074 0.000 2.351 408 A HA 0.668 4.988 4.320 0.001 0.000 0.257 408 A C 1.104 178.687 177.584 -0.002 0.000 1.087 408 A CA 0.389 52.425 52.037 -0.002 0.000 0.798 408 A CB 0.288 19.312 19.000 0.040 0.000 1.033 408 A HN 0.446 nan 8.150 nan 0.000 0.488 409 H N 0.546 119.677 119.070 0.101 0.000 2.465 409 H HA 0.293 4.850 4.556 0.001 0.000 0.289 409 H C 0.741 176.231 175.328 0.269 0.000 1.022 409 H CA 1.400 57.551 56.048 0.171 0.000 1.340 409 H CB 0.460 30.310 29.762 0.147 0.000 1.437 409 H HN 0.763 nan 8.280 nan 0.000 0.539 410 A N 0.781 123.811 122.820 0.351 0.000 2.572 410 A HA 0.521 4.841 4.320 0.001 0.000 0.295 410 A C -1.156 176.588 177.584 0.267 0.000 1.072 410 A CA -0.519 51.741 52.037 0.371 0.000 0.691 410 A CB 1.899 21.167 19.000 0.446 0.000 1.291 410 A HN -0.029 nan 8.150 nan 0.000 0.404 411 V N 1.535 121.601 119.914 0.253 0.000 2.409 411 V HA 0.516 4.637 4.120 0.001 0.000 0.291 411 V C -0.597 175.620 176.094 0.206 0.000 1.020 411 V CA -0.513 61.886 62.300 0.165 0.000 0.848 411 V CB 1.471 33.354 31.823 0.100 0.000 0.990 411 V HN 0.667 nan 8.190 nan 0.000 0.430 412 V N 6.483 126.505 119.914 0.180 0.000 2.350 412 V HA 0.470 4.591 4.120 0.001 0.000 0.285 412 V C -0.081 176.109 176.094 0.161 0.000 1.014 412 V CA -0.388 62.056 62.300 0.239 0.000 0.831 412 V CB 1.580 33.529 31.823 0.209 0.000 1.000 412 V HN 0.693 nan 8.190 nan 0.000 0.433 413 I N 4.229 124.901 120.570 0.169 0.000 2.301 413 I HA 0.208 4.378 4.170 0.001 0.000 0.292 413 I C 0.669 176.868 176.117 0.137 0.000 1.046 413 I CA 0.056 61.400 61.300 0.073 0.000 1.282 413 I CB 0.965 39.006 38.000 0.067 0.000 1.409 413 I HN 0.685 nan 8.210 nan 0.000 0.484 414 C N 3.097 122.479 119.300 0.135 0.000 2.935 414 C HA 0.174 4.634 4.460 0.001 0.000 0.308 414 C C 1.014 176.057 174.990 0.089 0.000 1.263 414 C CA 0.247 59.322 59.018 0.095 0.000 1.738 414 C CB -0.026 27.782 27.740 0.113 0.000 2.237 414 C HN 0.717 nan 8.230 nan 0.000 0.600 415 T N 1.659 116.343 114.554 0.217 0.000 2.861 415 T HA 0.221 4.571 4.350 0.001 0.000 0.287 415 T C 0.252 175.068 174.700 0.193 0.000 1.003 415 T CA -0.190 61.987 62.100 0.130 0.000 0.977 415 T CB 1.419 70.373 68.868 0.144 0.000 0.996 415 T HN 0.335 nan 8.240 nan 0.000 0.448 416 E N 1.653 121.817 120.200 -0.061 0.000 2.330 416 E HA -0.030 4.321 4.350 0.001 0.000 0.210 416 E C -0.829 175.713 176.600 -0.096 0.000 1.256 416 E CA -0.535 55.853 56.400 -0.020 0.000 1.346 416 E CB -0.355 29.298 29.700 -0.078 0.000 1.308 416 E HN 0.637 nan 8.360 nan 0.000 0.441 417 W N 1.556 122.785 121.300 -0.118 0.000 2.295 417 W HA 0.000 4.661 4.660 0.000 0.000 0.335 417 W C 1.045 177.365 176.519 -0.333 0.000 1.351 417 W CA -0.359 56.776 57.345 -0.349 0.000 1.273 417 W CB 0.551 29.563 29.460 -0.747 0.000 1.214 417 W HN 0.083 nan 8.180 nan 0.000 0.563 418 D N 2.651 123.089 120.400 0.063 0.000 2.190 418 D HA -0.252 4.388 4.640 0.001 0.000 0.200 418 D C 2.225 178.535 176.300 0.017 0.000 0.992 418 D CA 1.987 56.011 54.000 0.041 0.000 0.854 418 D CB -0.282 40.552 40.800 0.056 0.000 0.936 418 D HN 0.560 nan 8.370 nan 0.000 0.462 419 M N -1.493 118.062 119.600 -0.076 0.000 2.279 419 M HA -0.084 4.396 4.480 0.001 0.000 0.264 419 M C 1.482 177.827 176.300 0.075 0.000 1.062 419 M CA 1.180 56.446 55.300 -0.056 0.000 1.099 419 M CB -0.458 32.066 32.600 -0.127 0.000 1.394 419 M HN -0.205 nan 8.290 nan 0.000 0.426 420 F N 1.381 121.425 119.950 0.158 0.000 2.186 420 F HA -0.058 4.470 4.527 0.001 0.000 0.299 420 F C 2.930 178.852 175.800 0.203 0.000 1.090 420 F CA 1.262 59.353 58.000 0.152 0.000 1.307 420 F CB -1.479 37.638 39.000 0.194 0.000 1.019 420 F HN 0.167 nan 8.300 nan 0.000 0.489 421 K N 0.226 120.833 120.400 0.344 0.000 2.209 421 K HA -0.116 4.204 4.320 0.001 0.000 0.204 421 K C 1.580 178.343 176.600 0.272 0.000 1.048 421 K CA 1.259 57.709 56.287 0.272 0.000 0.940 421 K CB -0.452 32.150 32.500 0.169 0.000 0.729 421 K HN 0.242 nan 8.250 nan 0.000 0.451 422 E N 0.212 120.537 120.200 0.207 0.000 2.489 422 E HA 0.169 4.520 4.350 0.001 0.000 0.193 422 E C 0.545 177.225 176.600 0.133 0.000 1.057 422 E CA -0.031 56.461 56.400 0.154 0.000 0.866 422 E CB -0.273 29.489 29.700 0.102 0.000 0.916 422 E HN 0.455 nan 8.360 nan 0.000 0.500 423 L N 1.528 122.807 121.223 0.092 0.000 2.473 423 L HA 0.024 4.364 4.340 0.001 0.000 0.268 423 L C 0.814 177.625 176.870 -0.098 0.000 1.215 423 L CA -0.154 54.608 54.840 -0.130 0.000 0.823 423 L CB 0.273 41.991 42.059 -0.568 0.000 1.099 423 L HN -0.144 nan 8.230 nan 0.000 0.483 424 D N 0.691 121.115 120.400 0.041 0.000 2.435 424 D HA 0.039 4.679 4.640 0.001 0.000 0.230 424 D C 0.495 176.838 176.300 0.071 0.000 1.215 424 D CA 0.128 54.193 54.000 0.109 0.000 0.947 424 D CB 0.310 41.180 40.800 0.117 0.000 1.048 424 D HN 0.267 nan 8.370 nan 0.000 0.512 425 Y N 1.660 122.076 120.300 0.194 0.000 2.395 425 Y HA -0.023 4.528 4.550 0.001 0.000 0.293 425 Y C 2.164 178.282 175.900 0.364 0.000 1.123 425 Y CA 0.580 58.837 58.100 0.261 0.000 1.227 425 Y CB 0.245 38.790 38.460 0.143 0.000 1.012 425 Y HN 0.416 nan 8.280 nan 0.000 0.552 426 E N 0.182 120.585 120.200 0.338 0.000 2.051 426 E HA -0.255 4.096 4.350 0.001 0.000 0.192 426 E C 2.253 178.962 176.600 0.181 0.000 0.991 426 E CA 1.029 57.557 56.400 0.214 0.000 0.799 426 E CB -0.129 29.645 29.700 0.123 0.000 0.748 426 E HN 0.364 nan 8.360 nan 0.000 0.449 427 R N 0.977 121.565 120.500 0.147 0.000 2.083 427 R HA -0.169 4.172 4.340 0.001 0.000 0.237 427 R C 2.279 178.667 176.300 0.147 0.000 1.137 427 R CA 1.425 57.581 56.100 0.094 0.000 0.951 427 R CB -0.292 30.017 30.300 0.016 0.000 0.851 427 R HN 0.142 nan 8.270 nan 0.000 0.434 428 I N 0.097 120.810 120.570 0.239 0.000 2.226 428 I HA -0.316 3.854 4.170 0.001 0.000 0.245 428 I C 2.716 178.978 176.117 0.242 0.000 1.100 428 I CA 1.467 62.919 61.300 0.254 0.000 1.374 428 I CB -0.593 37.555 38.000 0.247 0.000 1.057 428 I HN 0.405 nan 8.210 nan 0.000 0.413 429 H N 1.927 121.104 119.070 0.179 0.000 2.321 429 H HA -0.179 4.378 4.556 0.001 0.000 0.300 429 H C 2.185 177.449 175.328 -0.108 0.000 1.087 429 H CA 1.748 57.716 56.048 -0.134 0.000 1.319 429 H CB 0.150 29.641 29.762 -0.452 0.000 1.379 429 H HN 0.252 nan 8.280 nan 0.000 0.501 430 K N 0.215 120.623 120.400 0.013 0.000 2.089 430 K HA -0.143 4.178 4.320 0.001 0.000 0.210 430 K C 2.028 178.572 176.600 -0.093 0.000 1.048 430 K CA 1.501 57.765 56.287 -0.039 0.000 0.926 430 K CB 0.094 32.598 32.500 0.006 0.000 0.714 430 K HN 0.222 nan 8.250 nan 0.000 0.448 431 K N -0.180 120.184 120.400 -0.060 0.000 2.367 431 K HA 0.156 4.476 4.320 0.001 0.000 0.194 431 K C 0.726 177.274 176.600 -0.087 0.000 1.027 431 K CA 0.104 56.356 56.287 -0.058 0.000 1.075 431 K CB 0.335 32.825 32.500 -0.016 0.000 0.845 431 K HN 0.184 nan 8.250 nan 0.000 0.529 432 M N 1.243 120.766 119.600 -0.127 0.000 2.228 432 M HA 0.175 4.655 4.480 0.001 0.000 0.326 432 M C 0.383 176.560 176.300 -0.206 0.000 1.122 432 M CA -0.286 54.931 55.300 -0.140 0.000 1.161 432 M CB 0.682 33.222 32.600 -0.099 0.000 1.437 432 M HN -0.103 nan 8.290 nan 0.000 0.465 433 L N 1.959 123.049 121.223 -0.221 0.000 2.466 433 L HA 0.244 4.584 4.340 0.001 0.000 0.257 433 L C 0.064 176.826 176.870 -0.180 0.000 1.189 433 L CA -0.260 54.425 54.840 -0.258 0.000 0.813 433 L CB 0.275 42.029 42.059 -0.509 0.000 1.118 433 L HN 0.484 nan 8.230 nan 0.000 0.471 434 K N 1.746 122.085 120.400 -0.102 0.000 2.378 434 K HA 0.497 4.817 4.320 0.001 0.000 0.252 434 K C -2.286 174.374 176.600 0.100 0.000 0.931 434 K CA -1.679 54.578 56.287 -0.051 0.000 0.794 434 K CB 1.347 33.791 32.500 -0.095 0.000 1.181 434 K HN 0.360 nan 8.250 nan 0.000 0.425 435 P HA 0.292 nan 4.420 nan 0.000 0.271 435 P C -0.997 176.271 177.300 -0.054 0.000 1.218 435 P CA -0.537 62.557 63.100 -0.010 0.000 0.780 435 P CB 0.715 32.381 31.700 -0.056 0.000 0.901 436 A N 2.301 125.000 122.820 -0.202 0.000 2.292 436 A HA 0.643 4.963 4.320 0.001 0.000 0.319 436 A C -0.828 176.696 177.584 -0.100 0.000 1.206 436 A CA -0.520 51.492 52.037 -0.040 0.000 0.835 436 A CB 0.077 19.012 19.000 -0.110 0.000 1.164 436 A HN 0.411 nan 8.150 nan 0.000 0.505 437 F N 1.194 121.224 119.950 0.135 0.000 2.492 437 F HA 0.642 5.170 4.527 0.001 0.000 0.327 437 F C 0.151 175.858 175.800 -0.155 0.000 1.079 437 F CA -0.583 57.362 58.000 -0.092 0.000 0.967 437 F CB 1.941 40.794 39.000 -0.245 0.000 1.169 437 F HN 0.333 nan 8.300 nan 0.000 0.472 438 I N 2.888 123.309 120.570 -0.249 0.000 2.436 438 I HA 0.326 4.496 4.170 0.001 0.000 0.289 438 I C -1.383 174.438 176.117 -0.492 0.000 1.010 438 I CA -0.568 60.551 61.300 -0.302 0.000 1.098 438 I CB 1.587 39.336 38.000 -0.418 0.000 1.266 438 I HN 0.361 nan 8.210 nan 0.000 0.434 439 F N 3.857 123.828 119.950 0.035 0.000 2.325 439 F HA 0.257 4.785 4.527 0.001 0.000 0.369 439 F C 0.210 176.130 175.800 0.199 0.000 1.095 439 F CA -0.775 57.265 58.000 0.067 0.000 1.082 439 F CB 0.823 39.763 39.000 -0.100 0.000 1.289 439 F HN 0.348 nan 8.300 nan 0.000 0.462 440 D N 2.607 123.179 120.400 0.286 0.000 2.456 440 D HA 0.229 4.870 4.640 0.001 0.000 0.219 440 D C 1.012 177.452 176.300 0.232 0.000 1.126 440 D CA -0.176 53.951 54.000 0.211 0.000 0.890 440 D CB 1.265 42.119 40.800 0.091 0.000 1.025 440 D HN 0.685 nan 8.370 nan 0.000 0.511 441 G N 3.252 112.139 108.800 0.146 0.000 3.181 441 G HA2 -0.037 3.924 3.960 0.001 0.000 0.219 441 G HA3 -0.037 3.924 3.960 0.001 0.000 0.219 441 G C 1.056 175.848 174.900 -0.180 0.000 1.182 441 G CA -0.186 44.736 45.100 -0.297 0.000 0.791 441 G HN 0.316 nan 8.290 nan 0.000 0.537 442 R N -0.372 120.110 120.500 -0.030 0.000 2.539 442 R HA 0.169 4.509 4.340 0.001 0.000 0.342 442 R C 0.599 176.908 176.300 0.015 0.000 0.941 442 R CA -0.477 55.612 56.100 -0.018 0.000 1.146 442 R CB 0.278 30.589 30.300 0.018 0.000 1.541 442 R HN 0.161 nan 8.270 nan 0.000 0.525 443 R N 0.179 120.704 120.500 0.043 0.000 3.863 443 R HA -0.113 4.227 4.340 0.001 0.000 0.313 443 R C 1.165 177.502 176.300 0.063 0.000 1.202 443 R CA 1.066 57.200 56.100 0.057 0.000 0.852 443 R CB -2.938 27.377 30.300 0.025 0.000 1.292 443 R HN 0.272 nan 8.270 nan 0.000 0.519 444 V N -3.040 116.923 119.914 0.082 0.000 2.871 444 V HA 0.001 4.122 4.120 0.001 0.000 0.256 444 V C 1.885 178.034 176.094 0.091 0.000 1.082 444 V CA 1.385 63.742 62.300 0.094 0.000 1.105 444 V CB -0.263 31.649 31.823 0.148 0.000 0.713 444 V HN 0.281 nan 8.190 nan 0.000 0.473 445 L N 0.431 121.703 121.223 0.082 0.000 2.653 445 L HA 0.334 4.674 4.340 0.001 0.000 0.231 445 L C 0.039 176.994 176.870 0.142 0.000 1.153 445 L CA -0.293 54.575 54.840 0.047 0.000 0.933 445 L CB -0.568 41.435 42.059 -0.094 0.000 1.175 445 L HN 0.246 nan 8.230 nan 0.000 0.473 446 D N 1.156 121.627 120.400 0.118 0.000 2.488 446 D HA 0.253 4.894 4.640 0.001 0.000 0.238 446 D C 1.335 177.656 176.300 0.036 0.000 1.138 446 D CA 1.519 55.543 54.000 0.040 0.000 0.873 446 D CB 0.958 41.751 40.800 -0.012 0.000 1.183 446 D HN 0.286 nan 8.370 nan 0.000 0.458 447 G N 1.360 110.158 108.800 -0.004 0.000 2.253 447 G HA2 -0.300 3.660 3.960 0.001 0.000 0.251 447 G HA3 -0.300 3.660 3.960 0.001 0.000 0.251 447 G C 0.847 175.779 174.900 0.053 0.000 0.998 447 G CA 0.032 45.141 45.100 0.013 0.000 0.621 447 G HN 0.423 nan 8.290 nan 0.000 0.524 448 L N 1.187 122.469 121.223 0.097 0.000 2.607 448 L HA 0.360 4.700 4.340 0.001 0.000 0.228 448 L C 2.060 178.961 176.870 0.052 0.000 1.123 448 L CA 0.722 55.588 54.840 0.044 0.000 0.890 448 L CB -0.687 41.347 42.059 -0.042 0.000 1.103 448 L HN 0.474 nan 8.230 nan 0.000 0.468 449 H N -0.346 118.681 119.070 -0.072 0.000 2.353 449 H HA -0.100 4.457 4.556 0.001 0.000 0.300 449 H C 1.435 176.734 175.328 -0.047 0.000 1.090 449 H CA 1.333 57.339 56.048 -0.071 0.000 1.327 449 H CB 0.364 30.095 29.762 -0.052 0.000 1.383 449 H HN 0.393 nan 8.280 nan 0.000 0.508 450 N N 1.009 119.766 118.700 0.096 0.000 2.120 450 N HA -0.127 4.613 4.740 0.001 0.000 0.188 450 N C 1.886 177.408 175.510 0.020 0.000 1.024 450 N CA 1.080 54.156 53.050 0.043 0.000 0.852 450 N CB -0.241 38.264 38.487 0.031 0.000 1.003 450 N HN 0.467 nan 8.380 nan 0.000 0.424 451 E N 0.901 121.113 120.200 0.019 0.000 2.051 451 E HA -0.040 4.310 4.350 0.001 0.000 0.192 451 E C 2.170 178.780 176.600 0.015 0.000 0.991 451 E CA 0.610 57.019 56.400 0.015 0.000 0.799 451 E CB -0.303 29.410 29.700 0.022 0.000 0.748 451 E HN 0.286 nan 8.360 nan 0.000 0.449 452 L N 0.461 121.676 121.223 -0.013 0.000 2.093 452 L HA -0.216 4.125 4.340 0.001 0.000 0.208 452 L C 2.454 179.377 176.870 0.089 0.000 1.085 452 L CA 1.255 56.113 54.840 0.030 0.000 0.755 452 L CB -0.335 41.594 42.059 -0.217 0.000 0.904 452 L HN 0.166 nan 8.230 nan 0.000 0.435 453 Q N -0.780 119.022 119.800 0.004 0.000 2.119 453 Q HA -0.162 4.178 4.340 0.001 0.000 0.201 453 Q C 2.185 178.153 176.000 -0.053 0.000 0.972 453 Q CA 1.919 57.711 55.803 -0.018 0.000 0.847 453 Q CB -0.158 28.572 28.738 -0.013 0.000 0.903 453 Q HN 0.450 nan 8.270 nan 0.000 0.433 454 T N 1.151 115.681 114.554 -0.039 0.000 2.746 454 T HA -0.114 4.236 4.350 0.001 0.000 0.267 454 T C 1.798 176.430 174.700 -0.113 0.000 1.039 454 T CA 0.945 63.011 62.100 -0.057 0.000 1.142 454 T CB -0.168 68.683 68.868 -0.028 0.000 0.866 454 T HN 0.212 nan 8.240 nan 0.000 0.444 455 I N 0.411 120.904 120.570 -0.129 0.000 2.264 455 I HA -0.074 4.096 4.170 0.001 0.000 0.248 455 I C 2.165 177.878 176.117 -0.672 0.000 1.111 455 I CA 1.448 62.571 61.300 -0.295 0.000 1.382 455 I CB -0.230 37.671 38.000 -0.165 0.000 1.060 455 I HN 0.532 nan 8.210 nan 0.000 0.418 456 G N -0.668 107.807 108.800 -0.542 0.000 2.273 456 G HA2 -0.162 3.798 3.960 0.001 0.000 0.162 456 G HA3 -0.162 3.798 3.960 0.001 0.000 0.162 456 G C 0.180 174.881 174.900 -0.333 0.000 1.006 456 G CA -0.728 44.075 45.100 -0.494 0.000 0.704 456 G HN 0.130 nan 8.290 nan 0.000 0.487 457 F N 1.623 121.441 119.950 -0.221 0.000 2.506 457 F HA 0.458 4.986 4.527 0.001 0.000 0.351 457 F C 1.123 176.781 175.800 -0.236 0.000 1.136 457 F CA 0.216 58.123 58.000 -0.154 0.000 1.298 457 F CB 0.806 39.713 39.000 -0.155 0.000 1.145 457 F HN 0.094 nan 8.300 nan 0.000 0.593 458 Q N 3.383 123.092 119.800 -0.151 0.000 2.337 458 Q HA 0.369 4.710 4.340 0.001 0.000 0.255 458 Q C -1.183 174.703 176.000 -0.189 0.000 0.997 458 Q CA -0.771 54.903 55.803 -0.215 0.000 0.925 458 Q CB 0.775 29.273 28.738 -0.401 0.000 1.212 458 Q HN 0.599 nan 8.270 nan 0.000 0.436 459 I N 3.918 124.376 120.570 -0.187 0.000 2.321 459 I HA 0.294 4.464 4.170 0.001 0.000 0.291 459 I C -1.139 174.846 176.117 -0.220 0.000 0.998 459 I CA 0.010 61.122 61.300 -0.313 0.000 1.227 459 I CB 1.252 38.944 38.000 -0.514 0.000 1.368 459 I HN 0.638 nan 8.210 nan 0.000 0.466 460 E N 4.650 124.721 120.200 -0.215 0.000 2.238 460 E HA 0.556 4.907 4.350 0.001 0.000 0.267 460 E C -1.000 175.659 176.600 0.098 0.000 0.887 460 E CA -0.894 55.495 56.400 -0.018 0.000 0.769 460 E CB 2.256 31.974 29.700 0.031 0.000 1.187 460 E HN 0.575 nan 8.360 nan 0.000 0.416 461 T N 1.320 115.986 114.554 0.187 0.000 2.864 461 T HA 0.451 4.802 4.350 0.001 0.000 0.299 461 T C -0.727 174.089 174.700 0.192 0.000 1.166 461 T CA -0.605 61.626 62.100 0.219 0.000 1.007 461 T CB 0.917 69.917 68.868 0.219 0.000 1.219 461 T HN 0.345 nan 8.240 nan 0.000 0.506 462 I N 2.366 123.035 120.570 0.165 0.000 2.588 462 I HA 0.356 4.526 4.170 0.001 0.000 0.283 462 I C 1.522 177.678 176.117 0.065 0.000 1.119 462 I CA 1.172 62.535 61.300 0.104 0.000 1.419 462 I CB 0.760 38.775 38.000 0.026 0.000 1.394 462 I HN 1.044 nan 8.210 nan 0.000 0.562 463 G N 4.413 113.247 108.800 0.056 0.000 2.143 463 G HA2 -0.293 3.668 3.960 0.001 0.000 0.248 463 G HA3 -0.293 3.668 3.960 0.001 0.000 0.248 463 G C 0.025 174.946 174.900 0.034 0.000 0.991 463 G CA 0.174 45.296 45.100 0.038 0.000 0.689 463 G HN 0.671 nan 8.290 nan 0.000 0.522 464 K N 0.092 120.523 120.400 0.051 0.000 2.507 464 K HA 0.524 4.845 4.320 0.001 0.000 0.251 464 K C 0.148 176.783 176.600 0.058 0.000 0.943 464 K CA -0.967 55.346 56.287 0.042 0.000 0.794 464 K CB 1.100 33.621 32.500 0.036 0.000 1.188 464 K HN 0.125 nan 8.250 nan 0.000 0.428 465 K N 3.200 123.627 120.400 0.045 0.000 2.401 465 K HA 0.096 4.417 4.320 0.001 0.000 0.278 465 K C -0.263 176.372 176.600 0.058 0.000 1.018 465 K CA -0.423 55.893 56.287 0.048 0.000 0.981 465 K CB 0.706 33.228 32.500 0.036 0.000 0.933 465 K HN 0.371 nan 8.250 nan 0.000 0.477 466 V N 0.000 119.952 119.914 0.063 0.000 2.409 466 V HA 0.000 4.120 4.120 0.001 0.000 0.244 466 V CA 0.000 62.340 62.300 0.066 0.000 1.235 466 V CB 0.000 31.868 31.823 0.076 0.000 1.184 466 V HN 0.000 nan 8.190 nan 0.000 0.556