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 3n6r_1_E DATA FIRST_RESID 63 DATA SEQUENCE FNKILIANRG EIACRVIKTA RKMGISTVAI YSDADKQALH VQMADEAVHI DATA SEQUENCE GPPPANQSYI VIDKVMAAIR ATGAQAVHPG YGFLSENSKF AEALEAEGVI DATA SEQUENCE FVGPPKGAIE AMGDKITSKK IAQEANVSTV PGXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XVTQPRHIEI QVLCDSHGNG IYLGERECSI QRRNQKVVEE APSPFLDEAT DATA SEQUENCE RRAMGEQAVA LAKAVGYASA GTVEFIVDGQ KNFYFLEMNT RLQVEHPVTE DATA SEQUENCE LITGVDLVEQ MIRVAAGEPL SITQGDVKLT GWAIENRLYA EDPYRGFXLP DATA SEQUENCE SIGRLTRYRE XXXXXAVRND TGVYEGGEIS MYYDPMIAKL CTWAPTRAAA DATA SEQUENCE IEAMRIALDS FEVEGIGHNL PFLSAVMDHP KFISGDMTTA FIAEEYPEGF DATA SEQUENCE EGVNLPETDL RRVAAAAAAM HRVAEIRRTR VSGRMDXNHE RRVGTEWVVT DATA SEQUENCE LQGADFPVTI AADHDGSTVS FDXDGSSMRV TSDWTPGDQL ANLMVDGAPL DATA SEQUENCE VLKVGKISXX GGFRIRTRGA DLKVHVRTPR QAELARLMPE KLPPDTSKML DATA SEQUENCE LCPMPGLIVK VDVEVGQEVQ EGQALCTIEA MKMENILRAE KKGVVAKINA DATA SEQUENCE SAGNSLAVDD VIMEFE 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 63 F HA 0.000 nan 4.527 nan 0.000 0.279 63 F C 0.000 175.811 175.800 0.018 0.000 0.967 63 F CA 0.000 58.011 58.000 0.019 0.000 1.383 63 F CB 0.000 39.011 39.000 0.019 0.000 1.145 64 N N -0.059 118.737 118.700 0.160 0.000 3.555 64 N HA 0.157 4.897 4.740 0.000 0.000 0.304 64 N C -1.464 174.090 175.510 0.074 0.000 1.165 64 N CA -1.121 51.992 53.050 0.106 0.000 0.853 64 N CB 0.403 38.940 38.487 0.083 0.000 3.588 64 N HN 0.218 nan 8.380 nan 0.000 0.711 65 K N 1.735 122.167 120.400 0.053 0.000 2.160 65 K HA 0.125 4.445 4.320 0.000 0.000 0.263 65 K C -0.247 176.377 176.600 0.042 0.000 1.120 65 K CA 0.205 56.519 56.287 0.045 0.000 1.115 65 K CB -0.848 31.674 32.500 0.036 0.000 0.971 65 K HN 0.434 nan 8.250 nan 0.000 0.400 66 I N 1.775 122.375 120.570 0.050 0.000 2.362 66 I HA 0.303 4.473 4.170 0.000 0.000 0.289 66 I C -0.422 175.730 176.117 0.058 0.000 0.994 66 I CA -0.989 60.342 61.300 0.051 0.000 1.158 66 I CB 0.609 38.644 38.000 0.059 0.000 1.315 66 I HN 0.391 nan 8.210 nan 0.000 0.451 67 L N 6.662 127.922 121.223 0.061 0.000 2.479 67 L HA 0.538 4.878 4.340 0.000 0.000 0.249 67 L C -0.809 176.109 176.870 0.079 0.000 1.178 67 L CA -0.218 54.664 54.840 0.071 0.000 0.811 67 L CB 0.996 43.100 42.059 0.075 0.000 1.187 67 L HN 0.627 nan 8.230 nan 0.000 0.480 68 I N 1.472 122.087 120.570 0.076 0.000 2.499 68 I HA 0.358 4.528 4.170 0.000 0.000 0.288 68 I C 0.414 176.570 176.117 0.065 0.000 1.048 68 I CA 0.070 61.400 61.300 0.050 0.000 1.062 68 I CB 1.904 39.902 38.000 -0.003 0.000 1.238 68 I HN 0.624 nan 8.210 nan 0.000 0.426 69 A N 4.763 127.616 122.820 0.054 0.000 2.251 69 A HA 0.242 4.562 4.320 0.000 0.000 0.209 69 A C 0.814 178.474 177.584 0.127 0.000 1.187 69 A CA 0.419 52.486 52.037 0.050 0.000 0.823 69 A CB -0.475 18.465 19.000 -0.102 0.000 0.846 69 A HN 0.782 nan 8.150 nan 0.000 0.486 70 N N -1.002 117.713 118.700 0.025 0.000 2.992 70 N HA 0.599 5.339 4.740 0.000 0.000 0.338 70 N C 0.388 175.719 175.510 -0.298 0.000 1.376 70 N CA -0.567 52.434 53.050 -0.081 0.000 0.778 70 N CB 0.934 39.225 38.487 -0.326 0.000 1.232 70 N HN 0.403 nan 8.380 nan 0.000 0.581 71 R N -1.326 118.844 120.500 -0.550 0.000 3.519 71 R HA 0.460 4.800 4.340 0.000 0.000 0.158 71 R C 0.650 176.591 176.300 -0.598 0.000 0.806 71 R CA -0.131 55.467 56.100 -0.836 0.000 0.586 71 R CB -0.665 29.117 30.300 -0.863 0.000 1.172 71 R HN 0.639 nan 8.270 nan 0.000 0.358 72 G N 0.932 109.454 108.800 -0.463 0.000 2.530 72 G HA2 -0.464 3.496 3.960 0.000 0.000 0.405 72 G HA3 -0.464 3.496 3.960 0.000 0.000 0.405 72 G C 0.763 175.547 174.900 -0.194 0.000 1.363 72 G CA 1.475 46.412 45.100 -0.271 0.000 0.927 72 G HN 0.920 nan 8.290 nan 0.000 0.525 73 E N -0.792 119.323 120.200 -0.142 0.000 2.077 73 E HA -0.048 4.302 4.350 0.000 0.000 0.193 73 E C 2.494 179.029 176.600 -0.110 0.000 0.989 73 E CA 1.809 58.158 56.400 -0.084 0.000 0.800 73 E CB -0.197 29.483 29.700 -0.032 0.000 0.746 73 E HN 0.573 nan 8.360 nan 0.000 0.452 74 I N 1.403 121.856 120.570 -0.195 0.000 2.163 74 I HA -0.228 3.942 4.170 0.000 0.000 0.243 74 I C 2.305 178.248 176.117 -0.290 0.000 1.085 74 I CA 1.589 62.720 61.300 -0.282 0.000 1.347 74 I CB -0.880 36.704 38.000 -0.694 0.000 1.044 74 I HN 0.246 nan 8.210 nan 0.000 0.408 75 A N -0.434 122.196 122.820 -0.317 0.000 1.883 75 A HA -0.282 4.038 4.320 0.000 0.000 0.217 75 A C 2.480 179.987 177.584 -0.129 0.000 1.186 75 A CA 2.170 54.052 52.037 -0.258 0.000 0.624 75 A CB -1.622 17.175 19.000 -0.338 0.000 0.822 75 A HN 0.619 nan 8.150 nan 0.000 0.444 76 C N -1.282 117.973 119.300 -0.075 0.000 2.413 76 C HA -0.084 4.376 4.460 0.000 0.000 0.276 76 C C 2.732 177.700 174.990 -0.036 0.000 1.236 76 C CA 1.286 60.291 59.018 -0.021 0.000 1.735 76 C CB -1.338 26.398 27.740 -0.006 0.000 2.031 76 C HN 0.738 nan 8.230 nan 0.000 0.474 77 R N 1.215 121.685 120.500 -0.051 0.000 2.134 77 R HA -0.164 4.176 4.340 0.000 0.000 0.248 77 R C 2.039 178.312 176.300 -0.046 0.000 1.143 77 R CA 2.335 58.422 56.100 -0.022 0.000 0.957 77 R CB -1.213 29.092 30.300 0.007 0.000 0.867 77 R HN 0.412 nan 8.270 nan 0.000 0.441 78 V N -0.158 119.684 119.914 -0.121 0.000 2.302 78 V HA -0.090 4.030 4.120 0.000 0.000 0.243 78 V C 2.213 178.273 176.094 -0.056 0.000 1.036 78 V CA 1.856 64.075 62.300 -0.134 0.000 1.020 78 V CB -0.281 31.363 31.823 -0.299 0.000 0.657 78 V HN 0.418 nan 8.190 nan 0.000 0.453 79 I N 0.303 120.844 120.570 -0.047 0.000 2.145 79 I HA -0.361 3.809 4.170 0.000 0.000 0.244 79 I C 2.571 178.691 176.117 0.006 0.000 1.075 79 I CA 2.468 63.765 61.300 -0.005 0.000 1.332 79 I CB -0.576 37.432 38.000 0.013 0.000 1.033 79 I HN 0.345 nan 8.210 nan 0.000 0.410 80 K N 0.277 120.678 120.400 0.002 0.000 2.281 80 K HA -0.163 4.157 4.320 0.000 0.000 0.203 80 K C 1.820 178.426 176.600 0.011 0.000 1.046 80 K CA 1.637 57.929 56.287 0.009 0.000 0.938 80 K CB 0.039 32.545 32.500 0.010 0.000 0.737 80 K HN 0.326 nan 8.250 nan 0.000 0.458 81 T N 0.011 114.571 114.554 0.010 0.000 2.953 81 T HA 0.091 4.441 4.350 0.000 0.000 0.247 81 T C 1.779 176.495 174.700 0.026 0.000 1.029 81 T CA 0.700 62.810 62.100 0.017 0.000 1.144 81 T CB -0.133 68.746 68.868 0.019 0.000 0.870 81 T HN 0.337 nan 8.240 nan 0.000 0.446 82 A N 2.236 125.074 122.820 0.030 0.000 1.859 82 A HA -0.220 4.100 4.320 0.000 0.000 0.218 82 A C 2.227 179.835 177.584 0.039 0.000 1.209 82 A CA 2.127 54.191 52.037 0.046 0.000 0.639 82 A CB -0.733 18.295 19.000 0.047 0.000 0.835 82 A HN 0.381 nan 8.150 nan 0.000 0.450 83 R N -0.388 120.130 120.500 0.031 0.000 2.241 83 R HA -0.102 4.238 4.340 0.000 0.000 0.224 83 R C 2.060 178.370 176.300 0.017 0.000 1.101 83 R CA 1.544 57.659 56.100 0.025 0.000 0.995 83 R CB -0.181 30.133 30.300 0.023 0.000 0.870 83 R HN 0.593 nan 8.270 nan 0.000 0.463 84 K N -0.239 120.171 120.400 0.015 0.000 2.365 84 K HA -0.008 4.312 4.320 0.000 0.000 0.199 84 K C 0.667 177.269 176.600 0.003 0.000 1.045 84 K CA 0.848 57.140 56.287 0.008 0.000 0.962 84 K CB 0.277 32.781 32.500 0.007 0.000 0.759 84 K HN 0.149 nan 8.250 nan 0.000 0.469 85 M N 0.759 120.364 119.600 0.009 0.000 2.959 85 M HA 0.216 4.696 4.480 0.000 0.000 0.337 85 M C -0.112 176.189 176.300 0.000 0.000 1.220 85 M CA -0.302 54.996 55.300 -0.002 0.000 0.893 85 M CB 1.415 34.017 32.600 0.003 0.000 1.322 85 M HN 0.187 nan 8.290 nan 0.000 0.519 86 G N 2.429 111.232 108.800 0.005 0.000 2.195 86 G HA2 -0.219 3.741 3.960 0.000 0.000 0.256 86 G HA3 -0.219 3.741 3.960 0.000 0.000 0.256 86 G C -0.502 174.416 174.900 0.029 0.000 0.817 86 G CA 0.233 45.340 45.100 0.011 0.000 1.235 86 G HN 0.670 nan 8.290 nan 0.000 0.358 87 I N 0.535 121.131 120.570 0.044 0.000 2.497 87 I HA 0.168 4.338 4.170 0.000 0.000 0.284 87 I C 0.582 176.734 176.117 0.060 0.000 1.060 87 I CA -0.851 60.491 61.300 0.069 0.000 1.071 87 I CB 1.976 40.031 38.000 0.092 0.000 1.216 87 I HN 0.140 nan 8.210 nan 0.000 0.442 88 S N 4.155 119.890 115.700 0.058 0.000 3.205 88 S HA -0.017 4.453 4.470 0.000 0.000 0.381 88 S C 0.533 175.164 174.600 0.051 0.000 1.122 88 S CA 0.235 58.465 58.200 0.050 0.000 1.485 88 S CB -0.608 62.621 63.200 0.048 0.000 1.058 88 S HN 0.592 nan 8.310 nan 0.000 0.570 89 T N 3.053 117.635 114.554 0.048 0.000 2.899 89 T HA 0.492 4.842 4.350 0.000 0.000 0.295 89 T C 0.243 174.977 174.700 0.056 0.000 1.033 89 T CA -0.636 61.495 62.100 0.051 0.000 1.084 89 T CB 0.855 69.751 68.868 0.046 0.000 0.979 89 T HN 0.306 nan 8.240 nan 0.000 0.532 90 V N 0.294 120.247 119.914 0.065 0.000 3.120 90 V HA 0.843 4.963 4.120 0.000 0.000 0.303 90 V C -0.391 175.761 176.094 0.098 0.000 1.238 90 V CA -1.042 61.304 62.300 0.076 0.000 1.008 90 V CB 2.000 33.862 31.823 0.064 0.000 1.064 90 V HN 1.246 nan 8.190 nan 0.000 0.434 91 A N 3.107 126.006 122.820 0.131 0.000 2.564 91 A HA 1.034 5.354 4.320 0.000 0.000 0.288 91 A C -1.186 176.516 177.584 0.195 0.000 1.164 91 A CA -0.555 51.596 52.037 0.190 0.000 0.712 91 A CB 2.014 21.192 19.000 0.296 0.000 1.303 91 A HN 1.457 nan 8.150 nan 0.000 0.418 92 I N -2.437 118.276 120.570 0.239 0.000 3.042 92 I HA 0.963 5.133 4.170 0.000 0.000 0.310 92 I C -1.320 174.976 176.117 0.299 0.000 1.117 92 I CA -1.161 60.196 61.300 0.094 0.000 1.003 92 I CB 2.447 40.426 38.000 -0.035 0.000 1.228 92 I HN 1.079 nan 8.210 nan 0.000 0.443 93 Y N 1.247 121.566 120.300 0.032 0.000 2.521 93 Y HA 0.615 5.165 4.550 0.000 0.000 0.326 93 Y C -0.293 175.546 175.900 -0.102 0.000 1.176 93 Y CA -0.575 57.590 58.100 0.109 0.000 1.079 93 Y CB 0.079 38.658 38.460 0.199 0.000 1.341 93 Y HN 0.890 nan 8.280 nan 0.000 0.456 94 S N 0.804 116.517 115.700 0.022 0.000 2.502 94 S HA 0.186 4.656 4.470 0.000 0.000 0.251 94 S C 0.237 174.969 174.600 0.220 0.000 1.254 94 S CA 0.693 58.901 58.200 0.012 0.000 0.989 94 S CB 0.401 63.707 63.200 0.177 0.000 1.015 94 S HN 0.763 nan 8.310 nan 0.000 0.529 95 D N 1.363 121.852 120.400 0.148 0.000 2.107 95 D HA 0.130 4.770 4.640 0.000 0.000 0.204 95 D C 1.392 177.764 176.300 0.120 0.000 0.978 95 D CA 1.574 55.655 54.000 0.135 0.000 0.852 95 D CB -0.958 39.872 40.800 0.051 0.000 1.008 95 D HN 0.703 nan 8.370 nan 0.000 0.458 96 A N 0.621 123.480 122.820 0.066 0.000 2.900 96 A HA 0.002 4.322 4.320 0.000 0.000 0.246 96 A C 0.486 178.149 177.584 0.131 0.000 1.725 96 A CA 0.642 52.705 52.037 0.044 0.000 1.400 96 A CB -0.510 18.439 19.000 -0.086 0.000 0.973 96 A HN 0.112 nan 8.150 nan 0.000 0.635 97 D N -1.236 119.245 120.400 0.135 0.000 2.742 97 D HA 0.002 4.642 4.640 0.000 0.000 0.302 97 D C 1.176 177.465 176.300 -0.018 0.000 1.588 97 D CA 0.002 54.071 54.000 0.115 0.000 0.873 97 D CB 0.280 41.255 40.800 0.292 0.000 1.418 97 D HN 0.391 nan 8.370 nan 0.000 0.420 98 K N 1.084 121.439 120.400 -0.076 0.000 2.288 98 K HA -0.123 4.197 4.320 0.000 0.000 0.201 98 K C 2.095 178.515 176.600 -0.299 0.000 1.048 98 K CA 1.611 57.696 56.287 -0.337 0.000 0.956 98 K CB 0.250 32.656 32.500 -0.157 0.000 0.746 98 K HN 0.241 nan 8.250 nan 0.000 0.461 99 Q N 0.098 119.808 119.800 -0.150 0.000 2.008 99 Q HA 0.193 4.533 4.340 0.000 0.000 0.196 99 Q C 0.592 176.486 176.000 -0.177 0.000 0.973 99 Q CA 0.550 56.313 55.803 -0.066 0.000 0.826 99 Q CB -0.659 28.111 28.738 0.054 0.000 0.894 99 Q HN 0.149 nan 8.270 nan 0.000 0.439 100 A N 1.540 124.197 122.820 -0.272 0.000 2.456 100 A HA -0.175 4.145 4.320 0.000 0.000 0.276 100 A C 0.865 178.197 177.584 -0.420 0.000 0.981 100 A CA 0.410 52.224 52.037 -0.371 0.000 1.123 100 A CB -0.063 18.789 19.000 -0.246 0.000 0.773 100 A HN 0.560 nan 8.150 nan 0.000 0.373 101 L N 3.375 124.361 121.223 -0.395 0.000 2.187 101 L HA -0.202 4.138 4.340 0.000 0.000 0.213 101 L C 2.503 179.294 176.870 -0.131 0.000 1.100 101 L CA 2.923 57.633 54.840 -0.217 0.000 0.765 101 L CB -0.794 41.158 42.059 -0.178 0.000 0.904 101 L HN 0.972 nan 8.230 nan 0.000 0.437 102 H N -2.268 116.738 119.070 -0.108 0.000 2.357 102 H HA -0.053 4.503 4.556 0.000 0.000 0.301 102 H C 2.030 177.342 175.328 -0.026 0.000 1.082 102 H CA 1.609 57.620 56.048 -0.061 0.000 1.342 102 H CB -1.162 28.561 29.762 -0.065 0.000 1.389 102 H HN 0.241 nan 8.280 nan 0.000 0.511 103 V N 2.598 122.022 119.914 -0.816 0.000 2.220 103 V HA -0.379 3.740 4.120 0.000 0.000 0.250 103 V C 2.983 178.971 176.094 -0.176 0.000 1.056 103 V CA 2.927 64.960 62.300 -0.446 0.000 1.016 103 V CB -1.032 30.443 31.823 -0.580 0.000 0.639 103 V HN 0.619 nan 8.190 nan 0.000 0.446 104 Q N -0.632 119.067 119.800 -0.168 0.000 2.364 104 Q HA -0.136 4.204 4.340 0.000 0.000 0.207 104 Q C 1.944 177.929 176.000 -0.025 0.000 0.970 104 Q CA 1.637 57.397 55.803 -0.071 0.000 0.888 104 Q CB -0.344 28.369 28.738 -0.041 0.000 0.951 104 Q HN 0.604 nan 8.270 nan 0.000 0.469 105 M N 0.595 120.187 119.600 -0.015 0.000 2.447 105 M HA 0.163 4.643 4.480 0.000 0.000 0.264 105 M C 0.921 177.236 176.300 0.026 0.000 1.095 105 M CA 0.404 55.712 55.300 0.014 0.000 1.125 105 M CB 0.227 32.842 32.600 0.025 0.000 1.389 105 M HN 0.254 nan 8.290 nan 0.000 0.459 106 A N 0.516 123.357 122.820 0.035 0.000 2.286 106 A HA 0.179 4.499 4.320 0.000 0.000 0.286 106 A C 0.100 177.709 177.584 0.041 0.000 1.097 106 A CA -0.521 51.545 52.037 0.050 0.000 0.821 106 A CB 0.316 19.364 19.000 0.082 0.000 1.076 106 A HN 0.205 nan 8.150 nan 0.000 0.490 107 D N 0.353 120.779 120.400 0.044 0.000 2.349 107 D HA 0.168 4.808 4.640 0.000 0.000 0.224 107 D C 0.107 176.434 176.300 0.045 0.000 1.029 107 D CA 0.993 55.016 54.000 0.038 0.000 0.879 107 D CB 0.202 41.023 40.800 0.036 0.000 0.906 107 D HN 0.680 nan 8.370 nan 0.000 0.528 108 E N -1.206 119.030 120.200 0.059 0.000 2.432 108 E HA 0.715 5.065 4.350 0.000 0.000 0.279 108 E C -1.497 175.167 176.600 0.106 0.000 1.099 108 E CA -1.046 55.398 56.400 0.073 0.000 0.859 108 E CB 1.927 31.667 29.700 0.065 0.000 1.402 108 E HN -0.070 nan 8.360 nan 0.000 0.451 109 A N 0.363 123.267 122.820 0.140 0.000 2.583 109 A HA 0.573 4.893 4.320 0.000 0.000 0.298 109 A C -1.674 176.050 177.584 0.232 0.000 1.055 109 A CA -0.591 51.587 52.037 0.235 0.000 0.714 109 A CB 1.075 20.264 19.000 0.314 0.000 1.277 109 A HN 0.672 nan 8.150 nan 0.000 0.406 110 V N 0.972 120.936 119.914 0.083 0.000 2.709 110 V HA 0.809 4.929 4.120 0.000 0.000 0.308 110 V C 0.251 175.979 176.094 -0.610 0.000 1.062 110 V CA -0.704 61.526 62.300 -0.118 0.000 0.901 110 V CB 1.341 33.081 31.823 -0.137 0.000 1.003 110 V HN 1.445 nan 8.190 nan 0.000 0.425 111 H N 4.679 123.340 119.070 -0.683 0.000 2.765 111 H HA 0.407 4.963 4.556 0.000 0.000 0.385 111 H C 0.339 175.349 175.328 -0.531 0.000 1.562 111 H CA 0.241 55.756 56.048 -0.890 0.000 1.473 111 H CB 1.255 30.787 29.762 -0.384 0.000 1.536 111 H HN 1.046 nan 8.280 nan 0.000 0.610 112 I N -4.572 115.656 120.570 -0.570 0.000 3.439 112 I HA 0.488 4.658 4.170 0.000 0.000 0.321 112 I C 0.358 176.322 176.117 -0.255 0.000 1.435 112 I CA -0.032 60.974 61.300 -0.490 0.000 0.914 112 I CB 0.299 37.994 38.000 -0.509 0.000 1.807 112 I HN 1.001 nan 8.210 nan 0.000 0.681 113 G N 2.315 111.073 108.800 -0.070 0.000 2.500 113 G HA2 -0.105 3.855 3.960 0.000 0.000 0.209 113 G HA3 -0.105 3.855 3.960 0.000 0.000 0.209 113 G C -3.097 171.796 174.900 -0.012 0.000 1.283 113 G CA -0.324 44.768 45.100 -0.015 0.000 0.960 113 G HN 0.213 nan 8.290 nan 0.000 0.528 114 P HA 0.210 nan 4.420 nan 0.000 0.275 114 P C -1.758 175.568 177.300 0.042 0.000 1.270 114 P CA 0.057 63.170 63.100 0.021 0.000 0.791 114 P CB 0.687 32.408 31.700 0.034 0.000 1.089 115 P HA 0.011 nan 4.420 nan 0.000 0.216 115 P C -1.718 175.720 177.300 0.231 0.000 1.153 115 P CA 1.861 64.977 63.100 0.028 0.000 0.848 115 P CB -1.977 29.368 31.700 -0.591 0.000 0.787 116 P HA 0.069 nan 4.420 nan 0.000 0.271 116 P C 0.792 178.147 177.300 0.091 0.000 1.220 116 P CA 0.540 63.745 63.100 0.174 0.000 0.768 116 P CB 0.197 31.970 31.700 0.121 0.000 0.848 117 A N 4.243 127.100 122.820 0.062 0.000 2.066 117 A HA -0.139 4.181 4.320 0.000 0.000 0.218 117 A C 1.438 178.981 177.584 -0.067 0.000 1.157 117 A CA 0.947 53.012 52.037 0.046 0.000 0.670 117 A CB -0.984 17.964 19.000 -0.086 0.000 0.804 117 A HN 0.684 nan 8.150 nan 0.000 0.453 118 N N -0.450 118.220 118.700 -0.050 0.000 2.471 118 N HA -0.045 4.695 4.740 0.000 0.000 0.205 118 N C 0.247 175.736 175.510 -0.034 0.000 1.251 118 N CA 0.585 53.606 53.050 -0.049 0.000 0.843 118 N CB -0.038 38.429 38.487 -0.033 0.000 1.044 118 N HN 0.682 nan 8.380 nan 0.000 0.461 119 Q N -1.038 118.741 119.800 -0.036 0.000 1.798 119 Q HA 0.075 4.415 4.340 0.000 0.000 0.173 119 Q C 0.111 176.071 176.000 -0.067 0.000 0.780 119 Q CA 0.136 55.919 55.803 -0.033 0.000 0.866 119 Q CB 0.754 29.491 28.738 -0.001 0.000 1.234 119 Q HN 0.475 nan 8.270 nan 0.000 0.390 120 S N -2.150 113.484 115.700 -0.109 0.000 3.798 120 S HA 0.061 4.531 4.470 0.000 0.000 0.227 120 S C 0.896 175.293 174.600 -0.339 0.000 1.126 120 S CA -0.162 57.899 58.200 -0.233 0.000 1.030 120 S CB -0.351 62.688 63.200 -0.267 0.000 1.189 120 S HN 0.162 nan 8.310 nan 0.000 0.464 121 Y N 1.827 122.015 120.300 -0.186 0.000 2.503 121 Y HA 0.531 5.081 4.550 0.000 0.000 0.278 121 Y C 2.015 177.648 175.900 -0.446 0.000 1.111 121 Y CA 0.281 58.183 58.100 -0.329 0.000 1.270 121 Y CB -0.023 38.141 38.460 -0.493 0.000 1.063 121 Y HN 0.285 nan 8.280 nan 0.000 0.548 122 I N -1.448 118.974 120.570 -0.248 0.000 2.731 122 I HA -0.044 4.126 4.170 0.000 0.000 0.260 122 I C 0.241 176.282 176.117 -0.127 0.000 1.138 122 I CA 0.099 61.262 61.300 -0.228 0.000 1.461 122 I CB -0.002 37.885 38.000 -0.187 0.000 1.128 122 I HN -0.293 nan 8.210 nan 0.000 0.438 123 V N 4.216 124.071 119.914 -0.099 0.000 2.536 123 V HA -0.138 3.982 4.120 0.000 0.000 0.287 123 V C 1.532 177.616 176.094 -0.017 0.000 0.979 123 V CA 0.761 63.030 62.300 -0.052 0.000 1.161 123 V CB -0.318 31.468 31.823 -0.062 0.000 0.915 123 V HN 0.281 nan 8.190 nan 0.000 0.467 124 I N 2.371 122.967 120.570 0.043 0.000 2.493 124 I HA -0.111 4.059 4.170 0.000 0.000 0.254 124 I C 1.863 178.043 176.117 0.105 0.000 1.160 124 I CA 0.860 62.248 61.300 0.147 0.000 1.445 124 I CB -0.292 37.837 38.000 0.214 0.000 1.086 124 I HN 0.633 nan 8.210 nan 0.000 0.433 125 D N 1.646 122.073 120.400 0.044 0.000 2.077 125 D HA -0.149 4.491 4.640 0.000 0.000 0.196 125 D C 2.064 178.364 176.300 -0.000 0.000 0.986 125 D CA 1.038 55.050 54.000 0.020 0.000 0.829 125 D CB -0.255 40.547 40.800 0.004 0.000 0.983 125 D HN 0.196 nan 8.370 nan 0.000 0.453 126 K N 0.985 121.367 120.400 -0.029 0.000 2.000 126 K HA -0.148 4.172 4.320 0.000 0.000 0.218 126 K C 2.443 178.998 176.600 -0.075 0.000 1.053 126 K CA 0.713 56.952 56.287 -0.080 0.000 0.946 126 K CB -1.022 31.405 32.500 -0.121 0.000 0.723 126 K HN 0.069 nan 8.250 nan 0.000 0.446 127 V N 1.660 121.554 119.914 -0.033 0.000 2.218 127 V HA -0.346 3.774 4.120 0.000 0.000 0.251 127 V C 2.536 178.666 176.094 0.059 0.000 1.057 127 V CA 2.390 64.706 62.300 0.027 0.000 1.022 127 V CB -0.563 31.347 31.823 0.146 0.000 0.645 127 V HN 0.275 nan 8.190 nan 0.000 0.451 128 M N 0.460 120.118 119.600 0.097 0.000 2.226 128 M HA -0.260 4.220 4.480 0.000 0.000 0.257 128 M C 2.210 178.516 176.300 0.010 0.000 1.070 128 M CA 2.445 57.776 55.300 0.051 0.000 1.087 128 M CB -1.296 31.325 32.600 0.035 0.000 1.278 128 M HN 0.378 nan 8.290 nan 0.000 0.426 129 A N -0.901 121.915 122.820 -0.007 0.000 1.985 129 A HA -0.216 4.104 4.320 0.000 0.000 0.223 129 A C 2.293 179.860 177.584 -0.029 0.000 1.189 129 A CA 2.921 54.945 52.037 -0.022 0.000 0.658 129 A CB -1.425 17.554 19.000 -0.035 0.000 0.820 129 A HN 0.680 nan 8.150 nan 0.000 0.464 130 A N -0.698 122.095 122.820 -0.045 0.000 1.935 130 A HA 0.163 4.483 4.320 0.000 0.000 0.214 130 A C 2.031 179.608 177.584 -0.012 0.000 1.178 130 A CA 0.982 52.989 52.037 -0.049 0.000 0.640 130 A CB -0.468 18.472 19.000 -0.100 0.000 0.825 130 A HN 0.492 nan 8.150 nan 0.000 0.447 131 I N -0.733 119.842 120.570 0.008 0.000 2.264 131 I HA -0.292 3.878 4.170 0.000 0.000 0.248 131 I C 2.746 178.869 176.117 0.009 0.000 1.111 131 I CA 1.464 62.778 61.300 0.023 0.000 1.382 131 I CB -0.293 37.730 38.000 0.037 0.000 1.060 131 I HN 0.276 nan 8.210 nan 0.000 0.418 132 R N 0.449 120.950 120.500 0.001 0.000 2.075 132 R HA 0.126 4.466 4.340 0.000 0.000 0.220 132 R C 2.516 178.817 176.300 0.002 0.000 1.118 132 R CA 0.946 57.045 56.100 -0.002 0.000 0.986 132 R CB -0.379 29.917 30.300 -0.007 0.000 0.884 132 R HN 0.266 nan 8.270 nan 0.000 0.439 133 A N 0.809 123.629 122.820 -0.001 0.000 2.042 133 A HA -0.214 4.106 4.320 0.000 0.000 0.222 133 A C 1.930 179.520 177.584 0.010 0.000 1.167 133 A CA 2.308 54.346 52.037 0.002 0.000 0.649 133 A CB -0.671 18.325 19.000 -0.006 0.000 0.809 133 A HN 0.527 nan 8.150 nan 0.000 0.457 134 T N -4.906 109.655 114.554 0.011 0.000 3.040 134 T HA 0.457 4.807 4.350 0.000 0.000 0.266 134 T C 0.858 175.569 174.700 0.019 0.000 1.005 134 T CA 0.857 62.969 62.100 0.019 0.000 0.906 134 T CB -0.015 68.869 68.868 0.025 0.000 1.082 134 T HN 1.931 nan 8.240 nan 0.000 0.531 135 G N 1.646 110.453 108.800 0.013 0.000 3.273 135 G HA2 0.257 4.217 3.960 0.000 0.000 0.325 135 G HA3 0.257 4.217 3.960 0.000 0.000 0.325 135 G C 0.232 175.139 174.900 0.011 0.000 0.960 135 G CA -0.400 44.706 45.100 0.010 0.000 0.808 135 G HN 0.955 nan 8.290 nan 0.000 0.387 136 A N 1.920 124.743 122.820 0.005 0.000 2.262 136 A HA 0.823 5.143 4.320 0.000 0.000 0.275 136 A C 1.366 178.948 177.584 -0.003 0.000 1.402 136 A CA 1.817 53.856 52.037 0.003 0.000 0.817 136 A CB 0.455 19.451 19.000 -0.007 0.000 1.271 136 A HN 2.523 nan 8.150 nan 0.000 0.520 137 Q N -4.530 115.262 119.800 -0.014 0.000 2.131 137 Q HA 0.261 4.601 4.340 0.000 0.000 0.142 137 Q C -0.494 175.476 176.000 -0.051 0.000 0.773 137 Q CA 1.519 57.301 55.803 -0.034 0.000 0.580 137 Q CB -0.817 27.912 28.738 -0.016 0.000 0.979 137 Q HN 2.444 nan 8.270 nan 0.000 0.369 138 A N 0.152 122.958 122.820 -0.023 0.000 1.482 138 A HA 0.489 4.809 4.320 0.000 0.000 0.243 138 A C -1.265 176.323 177.584 0.006 0.000 1.280 138 A CA 0.093 52.116 52.037 -0.023 0.000 1.073 138 A CB -0.070 18.910 19.000 -0.034 0.000 0.937 138 A HN 0.740 nan 8.150 nan 0.000 0.497 139 V N 3.678 123.596 119.914 0.007 0.000 2.834 139 V HA 0.652 4.772 4.120 0.000 0.000 0.301 139 V C -0.051 176.035 176.094 -0.015 0.000 1.066 139 V CA -0.106 62.220 62.300 0.044 0.000 1.052 139 V CB 1.335 33.223 31.823 0.108 0.000 1.021 139 V HN 0.930 nan 8.190 nan 0.000 0.480 140 H N 7.248 126.272 119.070 -0.076 0.000 2.538 140 H HA 0.586 5.142 4.556 0.000 0.000 0.353 140 H C -2.417 172.804 175.328 -0.179 0.000 1.109 140 H CA -2.099 53.849 56.048 -0.166 0.000 1.192 140 H CB 2.773 32.468 29.762 -0.112 0.000 1.555 140 H HN 0.457 nan 8.280 nan 0.000 0.518 141 P HA 0.146 nan 4.420 nan 0.000 0.264 141 P C 0.856 178.194 177.300 0.064 0.000 1.259 141 P CA 1.153 64.270 63.100 0.028 0.000 0.841 141 P CB 1.330 32.931 31.700 -0.166 0.000 1.232 142 G N 1.017 109.931 108.800 0.189 0.000 3.729 142 G HA2 -0.281 3.679 3.960 0.000 0.000 0.327 142 G HA3 -0.281 3.679 3.960 0.000 0.000 0.327 142 G C -0.143 174.733 174.900 -0.040 0.000 1.293 142 G CA 0.962 45.904 45.100 -0.262 0.000 1.011 142 G HN 0.553 nan 8.290 nan 0.000 0.673 143 Y N -4.226 116.043 120.300 -0.051 0.000 2.851 143 Y HA 0.479 5.029 4.550 0.000 0.000 0.359 143 Y C 1.149 176.984 175.900 -0.109 0.000 1.231 143 Y CA -0.070 58.013 58.100 -0.029 0.000 1.106 143 Y CB 0.380 38.828 38.460 -0.020 0.000 1.409 143 Y HN 2.258 nan 8.280 nan 0.000 0.454 144 G N -0.213 108.771 108.800 0.307 0.000 2.225 144 G HA2 -0.334 3.626 3.960 0.000 0.000 0.272 144 G HA3 -0.334 3.626 3.960 0.000 0.000 0.272 144 G C 0.030 175.053 174.900 0.206 0.000 0.996 144 G CA 1.638 46.845 45.100 0.177 0.000 0.710 144 G HN 0.783 nan 8.290 nan 0.000 0.522 145 F N -2.324 117.665 119.950 0.064 0.000 2.053 145 F HA 0.409 4.936 4.527 -0.000 0.000 0.213 145 F C 1.480 177.272 175.800 -0.013 0.000 1.216 145 F CA -0.523 57.477 58.000 -0.000 0.000 1.287 145 F CB 0.119 39.078 39.000 -0.069 0.000 1.781 145 F HN -0.050 nan 8.300 nan 0.000 0.297 146 L N 0.798 122.106 121.223 0.141 0.000 2.818 146 L HA 0.143 4.483 4.340 0.000 0.000 0.243 146 L C 1.830 178.809 176.870 0.181 0.000 1.185 146 L CA 0.261 55.100 54.840 -0.002 0.000 0.988 146 L CB -0.287 41.476 42.059 -0.494 0.000 1.292 146 L HN 0.171 nan 8.230 nan 0.000 0.519 147 S N -0.996 114.830 115.700 0.209 0.000 2.442 147 S HA -0.075 4.395 4.470 0.000 0.000 0.236 147 S C 0.776 175.633 174.600 0.427 0.000 1.007 147 S CA 0.834 59.212 58.200 0.296 0.000 0.965 147 S CB -0.209 63.131 63.200 0.232 0.000 0.773 147 S HN 0.547 nan 8.310 nan 0.000 0.504 148 E N 1.242 121.617 120.200 0.291 0.000 3.626 148 E HA 0.300 4.650 4.350 0.000 0.000 0.245 148 E C -1.228 175.466 176.600 0.157 0.000 1.236 148 E CA -0.241 56.284 56.400 0.207 0.000 1.072 148 E CB 0.447 30.245 29.700 0.162 0.000 1.309 148 E HN 0.288 nan 8.360 nan 0.000 0.400 149 N N 1.019 119.827 118.700 0.180 0.000 2.607 149 N HA 0.091 4.831 4.740 0.000 0.000 0.271 149 N C 0.311 175.906 175.510 0.142 0.000 1.142 149 N CA -0.018 53.117 53.050 0.142 0.000 0.810 149 N CB 1.385 39.956 38.487 0.141 0.000 1.306 149 N HN -0.021 nan 8.380 nan 0.000 0.536 150 S N 2.650 118.385 115.700 0.057 0.000 2.393 150 S HA -0.242 4.228 4.470 0.000 0.000 0.235 150 S C 1.629 176.252 174.600 0.039 0.000 1.061 150 S CA 1.440 59.643 58.200 0.005 0.000 1.129 150 S CB -0.054 63.136 63.200 -0.016 0.000 1.011 150 S HN 0.630 nan 8.310 nan 0.000 0.436 151 K N -0.198 120.242 120.400 0.067 0.000 2.090 151 K HA -0.249 4.071 4.320 0.000 0.000 0.218 151 K C 1.865 178.533 176.600 0.113 0.000 1.055 151 K CA 2.178 58.510 56.287 0.075 0.000 0.941 151 K CB -0.513 32.040 32.500 0.088 0.000 0.722 151 K HN 0.446 nan 8.250 nan 0.000 0.458 152 F N 1.043 121.015 119.950 0.037 0.000 2.186 152 F HA -0.146 4.381 4.527 0.000 0.000 0.299 152 F C 2.219 178.069 175.800 0.083 0.000 1.090 152 F CA 1.243 59.289 58.000 0.077 0.000 1.307 152 F CB -0.185 38.894 39.000 0.131 0.000 1.019 152 F HN 0.018 nan 8.300 nan 0.000 0.489 153 A N -0.261 122.603 122.820 0.073 0.000 1.978 153 A HA -0.250 4.070 4.320 0.000 0.000 0.220 153 A C 2.014 179.470 177.584 -0.213 0.000 1.170 153 A CA 2.092 54.010 52.037 -0.198 0.000 0.636 153 A CB -0.755 18.026 19.000 -0.365 0.000 0.810 153 A HN 0.496 nan 8.150 nan 0.000 0.448 154 E N -0.394 119.721 120.200 -0.142 0.000 2.102 154 E HA 0.191 4.541 4.350 0.000 0.000 0.190 154 E C 2.005 178.530 176.600 -0.126 0.000 0.971 154 E CA 1.083 57.410 56.400 -0.121 0.000 0.821 154 E CB -0.458 29.195 29.700 -0.079 0.000 0.777 154 E HN 0.408 nan 8.360 nan 0.000 0.460 155 A N 0.610 123.351 122.820 -0.132 0.000 2.084 155 A HA -0.147 4.173 4.320 0.000 0.000 0.221 155 A C 2.119 179.592 177.584 -0.186 0.000 1.161 155 A CA 1.156 53.114 52.037 -0.132 0.000 0.653 155 A CB -0.618 18.319 19.000 -0.106 0.000 0.802 155 A HN 0.335 nan 8.150 nan 0.000 0.457 156 L N -1.470 119.594 121.223 -0.265 0.000 2.095 156 L HA -0.101 4.239 4.340 0.000 0.000 0.204 156 L C 2.596 179.384 176.870 -0.136 0.000 1.080 156 L CA 1.550 56.245 54.840 -0.241 0.000 0.759 156 L CB -0.387 41.509 42.059 -0.271 0.000 0.914 156 L HN 0.572 nan 8.230 nan 0.000 0.439 157 E N 0.744 120.871 120.200 -0.122 0.000 2.204 157 E HA -0.162 4.188 4.350 0.000 0.000 0.194 157 E C 1.769 178.324 176.600 -0.075 0.000 0.989 157 E CA 0.790 57.136 56.400 -0.089 0.000 0.824 157 E CB 0.098 29.744 29.700 -0.091 0.000 0.756 157 E HN 0.415 nan 8.360 nan 0.000 0.477 158 A N 0.530 123.302 122.820 -0.080 0.000 2.250 158 A HA -0.038 4.282 4.320 0.000 0.000 0.208 158 A C 0.928 178.478 177.584 -0.058 0.000 1.254 158 A CA 0.519 52.519 52.037 -0.062 0.000 0.858 158 A CB -0.037 18.927 19.000 -0.060 0.000 0.820 158 A HN 0.227 nan 8.150 nan 0.000 0.484 159 E N -3.057 117.106 120.200 -0.063 0.000 2.652 159 E HA 0.166 4.516 4.350 0.000 0.000 0.197 159 E C 1.106 177.676 176.600 -0.050 0.000 0.936 159 E CA 0.786 57.153 56.400 -0.054 0.000 1.638 159 E CB -0.065 29.597 29.700 -0.063 0.000 1.884 159 E HN 0.906 nan 8.360 nan 0.000 1.005 160 G N 1.647 110.413 108.800 -0.056 0.000 2.179 160 G HA2 -0.253 3.707 3.960 0.000 0.000 0.220 160 G HA3 -0.253 3.707 3.960 0.000 0.000 0.220 160 G C 0.347 175.215 174.900 -0.053 0.000 0.990 160 G CA 0.215 45.285 45.100 -0.050 0.000 0.646 160 G HN 0.094 nan 8.290 nan 0.000 0.517 161 V N 2.770 122.650 119.914 -0.057 0.000 2.390 161 V HA 0.260 4.380 4.120 0.000 0.000 0.260 161 V C 1.431 177.504 176.094 -0.035 0.000 1.043 161 V CA -0.194 62.075 62.300 -0.051 0.000 1.047 161 V CB 0.431 32.216 31.823 -0.064 0.000 1.066 161 V HN 0.345 nan 8.190 nan 0.000 0.481 162 I N 6.116 126.667 120.570 -0.033 0.000 2.933 162 I HA -0.054 4.116 4.170 0.000 0.000 0.301 162 I C 0.687 176.833 176.117 0.048 0.000 1.163 162 I CA 0.144 61.439 61.300 -0.009 0.000 1.629 162 I CB -0.493 37.480 38.000 -0.046 0.000 1.530 162 I HN 0.581 nan 8.210 nan 0.000 0.755 163 F N 8.028 127.919 119.950 -0.099 0.000 2.526 163 F HA 0.030 4.557 4.527 0.000 0.000 0.327 163 F C 0.611 176.352 175.800 -0.099 0.000 1.271 163 F CA -0.063 57.893 58.000 -0.074 0.000 0.992 163 F CB 0.019 38.974 39.000 -0.074 0.000 1.284 163 F HN 0.190 nan 8.300 nan 0.000 0.635 164 V N 8.130 127.989 119.914 -0.092 0.000 2.452 164 V HA 0.458 4.578 4.120 0.000 0.000 0.286 164 V C 0.498 176.499 176.094 -0.155 0.000 0.995 164 V CA 1.305 63.532 62.300 -0.122 0.000 1.116 164 V CB -0.400 31.305 31.823 -0.197 0.000 0.954 164 V HN 1.126 nan 8.190 nan 0.000 0.473 165 G N 7.274 116.124 108.800 0.083 0.000 2.530 165 G HA2 0.189 4.149 3.960 0.000 0.000 0.081 165 G HA3 0.189 4.149 3.960 0.000 0.000 0.081 165 G C -3.467 171.464 174.900 0.051 0.000 1.062 165 G CA -0.016 45.168 45.100 0.139 0.000 1.108 165 G HN 0.601 nan 8.290 nan 0.000 0.466 166 P HA 0.463 nan 4.420 nan 0.000 0.295 166 P C -2.744 174.343 177.300 -0.356 0.000 1.319 166 P CA -1.842 60.995 63.100 -0.439 0.000 0.940 166 P CB 1.675 32.904 31.700 -0.785 0.000 1.192 167 P HA 0.020 nan 4.420 nan 0.000 0.271 167 P C 0.774 177.907 177.300 -0.279 0.000 1.220 167 P CA -0.173 62.762 63.100 -0.274 0.000 0.768 167 P CB 0.749 32.333 31.700 -0.192 0.000 0.848 168 K N 2.704 122.920 120.400 -0.307 0.000 2.448 168 K HA -0.168 4.152 4.320 0.000 0.000 0.200 168 K C 1.411 177.922 176.600 -0.149 0.000 1.045 168 K CA 1.954 58.093 56.287 -0.248 0.000 0.933 168 K CB -1.469 30.897 32.500 -0.224 0.000 0.755 168 K HN 0.518 nan 8.250 nan 0.000 0.481 169 G N 1.360 110.081 108.800 -0.132 0.000 2.551 169 G HA2 -0.043 3.917 3.960 0.000 0.000 0.214 169 G HA3 -0.043 3.917 3.960 0.000 0.000 0.214 169 G C 1.780 176.640 174.900 -0.065 0.000 1.250 169 G CA 1.124 46.174 45.100 -0.082 0.000 0.825 169 G HN 0.425 nan 8.290 nan 0.000 0.549 170 A N 0.555 123.329 122.820 -0.077 0.000 2.042 170 A HA -0.096 4.224 4.320 0.000 0.000 0.222 170 A C 2.382 179.953 177.584 -0.023 0.000 1.167 170 A CA 1.546 53.559 52.037 -0.040 0.000 0.649 170 A CB -0.451 18.504 19.000 -0.075 0.000 0.809 170 A HN 0.430 nan 8.150 nan 0.000 0.457 171 I N -0.815 119.711 120.570 -0.074 0.000 2.142 171 I HA -0.259 3.911 4.170 0.000 0.000 0.240 171 I C 2.367 178.489 176.117 0.009 0.000 1.078 171 I CA 1.839 63.119 61.300 -0.034 0.000 1.343 171 I CB -0.450 37.501 38.000 -0.081 0.000 1.046 171 I HN 0.398 nan 8.210 nan 0.000 0.405 172 E N 0.883 121.079 120.200 -0.007 0.000 2.347 172 E HA -0.095 4.255 4.350 0.000 0.000 0.196 172 E C 2.129 178.746 176.600 0.028 0.000 1.008 172 E CA 0.806 57.213 56.400 0.012 0.000 0.852 172 E CB -0.082 29.617 29.700 -0.002 0.000 0.783 172 E HN 0.492 nan 8.360 nan 0.000 0.505 173 A N 1.692 124.530 122.820 0.030 0.000 1.824 173 A HA -0.167 4.153 4.320 0.000 0.000 0.215 173 A C 1.857 179.486 177.584 0.075 0.000 1.209 173 A CA 1.235 53.300 52.037 0.047 0.000 0.614 173 A CB -0.240 18.791 19.000 0.050 0.000 0.852 173 A HN 0.125 nan 8.150 nan 0.000 0.447 174 M N 0.657 120.319 119.600 0.103 0.000 2.696 174 M HA 0.088 4.568 4.480 0.000 0.000 0.220 174 M C 1.715 178.080 176.300 0.108 0.000 1.133 174 M CA 0.450 55.831 55.300 0.135 0.000 1.016 174 M CB -1.744 30.965 32.600 0.181 0.000 1.740 174 M HN 0.489 nan 8.290 nan 0.000 0.502 175 G N 0.325 109.174 108.800 0.081 0.000 2.453 175 G HA2 -0.095 3.865 3.960 0.000 0.000 0.215 175 G HA3 -0.095 3.865 3.960 0.000 0.000 0.215 175 G C 0.134 175.071 174.900 0.062 0.000 1.147 175 G CA 0.053 45.194 45.100 0.068 0.000 0.802 175 G HN 0.473 nan 8.290 nan 0.000 0.535 176 D N -0.900 119.537 120.400 0.061 0.000 2.217 176 D HA 0.341 4.981 4.640 0.000 0.000 0.243 176 D C 1.365 177.706 176.300 0.069 0.000 1.054 176 D CA -0.573 53.460 54.000 0.055 0.000 0.838 176 D CB 1.430 42.257 40.800 0.044 0.000 1.162 176 D HN -0.029 nan 8.370 nan 0.000 0.472 177 K N 2.513 122.952 120.400 0.065 0.000 1.987 177 K HA -0.182 4.138 4.320 0.000 0.000 0.216 177 K C 1.721 178.370 176.600 0.082 0.000 1.051 177 K CA 1.569 57.902 56.287 0.078 0.000 0.942 177 K CB -0.302 32.234 32.500 0.060 0.000 0.722 177 K HN 0.472 nan 8.250 nan 0.000 0.444 178 I N 1.528 122.133 120.570 0.059 0.000 2.074 178 I HA -0.360 3.810 4.170 0.000 0.000 0.238 178 I C 2.436 178.583 176.117 0.051 0.000 1.037 178 I CA 1.899 63.228 61.300 0.049 0.000 1.301 178 I CB -1.296 36.725 38.000 0.034 0.000 1.016 178 I HN 0.216 nan 8.210 nan 0.000 0.400 179 T N 0.245 114.828 114.554 0.049 0.000 2.624 179 T HA -0.238 4.112 4.350 0.000 0.000 0.268 179 T C 2.091 176.825 174.700 0.057 0.000 1.041 179 T CA 2.131 64.258 62.100 0.045 0.000 1.159 179 T CB -0.666 68.228 68.868 0.044 0.000 0.863 179 T HN 0.343 nan 8.240 nan 0.000 0.434 180 S N 1.367 117.121 115.700 0.090 0.000 2.365 180 S HA -0.159 4.311 4.470 0.000 0.000 0.225 180 S C 2.146 176.805 174.600 0.098 0.000 1.039 180 S CA 1.028 59.307 58.200 0.133 0.000 1.033 180 S CB -0.276 63.060 63.200 0.226 0.000 0.887 180 S HN 0.403 nan 8.310 nan 0.000 0.447 181 K N 1.526 121.990 120.400 0.107 0.000 2.015 181 K HA -0.143 4.177 4.320 0.000 0.000 0.216 181 K C 2.108 178.706 176.600 -0.003 0.000 1.052 181 K CA 1.470 57.799 56.287 0.070 0.000 0.937 181 K CB -0.635 31.905 32.500 0.066 0.000 0.719 181 K HN 0.343 nan 8.250 nan 0.000 0.446 182 K N 0.723 121.126 120.400 0.005 0.000 1.985 182 K HA -0.048 4.272 4.320 0.000 0.000 0.210 182 K C 2.239 178.818 176.600 -0.035 0.000 1.047 182 K CA 1.298 57.577 56.287 -0.013 0.000 0.932 182 K CB -0.234 32.266 32.500 -0.000 0.000 0.716 182 K HN 0.063 nan 8.250 nan 0.000 0.439 183 I N 0.700 121.256 120.570 -0.023 0.000 2.597 183 I HA -0.302 3.868 4.170 0.000 0.000 0.262 183 I C 2.092 178.158 176.117 -0.085 0.000 1.194 183 I CA 1.152 62.434 61.300 -0.031 0.000 1.437 183 I CB -0.313 37.689 38.000 0.004 0.000 1.096 183 I HN 0.247 nan 8.210 nan 0.000 0.451 184 A N -0.274 122.448 122.820 -0.163 0.000 2.063 184 A HA -0.013 4.307 4.320 0.000 0.000 0.211 184 A C 2.170 179.640 177.584 -0.191 0.000 1.177 184 A CA 0.068 51.934 52.037 -0.285 0.000 0.759 184 A CB -0.075 18.526 19.000 -0.665 0.000 0.857 184 A HN 0.342 nan 8.150 nan 0.000 0.468 185 Q N 0.588 120.311 119.800 -0.129 0.000 1.895 185 Q HA -0.248 4.092 4.340 0.000 0.000 0.217 185 Q C 1.964 177.925 176.000 -0.065 0.000 1.003 185 Q CA 1.682 57.435 55.803 -0.083 0.000 0.871 185 Q CB -0.447 28.261 28.738 -0.051 0.000 0.941 185 Q HN 0.785 nan 8.270 nan 0.000 0.421 186 E N 1.135 121.307 120.200 -0.047 0.000 2.209 186 E HA -0.171 4.179 4.350 0.000 0.000 0.196 186 E C 1.535 178.114 176.600 -0.035 0.000 0.993 186 E CA 1.485 57.864 56.400 -0.034 0.000 0.819 186 E CB -0.406 29.280 29.700 -0.023 0.000 0.745 186 E HN 0.352 nan 8.360 nan 0.000 0.477 187 A N 2.021 124.812 122.820 -0.049 0.000 2.264 187 A HA -0.126 4.194 4.320 0.000 0.000 0.207 187 A C 0.702 178.258 177.584 -0.046 0.000 1.196 187 A CA 0.835 52.846 52.037 -0.044 0.000 0.778 187 A CB -1.271 17.692 19.000 -0.062 0.000 0.779 187 A HN 0.569 nan 8.150 nan 0.000 0.483 188 N N -2.874 115.796 118.700 -0.051 0.000 2.721 188 N HA -0.143 4.597 4.740 0.000 0.000 0.249 188 N C -0.715 174.759 175.510 -0.060 0.000 1.072 188 N CA 0.838 53.860 53.050 -0.048 0.000 0.710 188 N CB -2.516 35.955 38.487 -0.027 0.000 0.993 188 N HN 0.188 nan 8.380 nan 0.000 0.547 189 V N 0.278 120.131 119.914 -0.102 0.000 2.406 189 V HA 0.367 4.487 4.120 0.000 0.000 0.272 189 V C 1.058 177.065 176.094 -0.145 0.000 1.043 189 V CA -0.275 61.946 62.300 -0.133 0.000 0.915 189 V CB 1.164 32.831 31.823 -0.260 0.000 0.988 189 V HN 0.575 nan 8.190 nan 0.000 0.466 190 S N 4.850 120.476 115.700 -0.123 0.000 2.542 190 S HA 0.109 4.579 4.470 0.000 0.000 0.287 190 S C 0.117 174.700 174.600 -0.029 0.000 1.315 190 S CA 0.497 58.610 58.200 -0.144 0.000 1.037 190 S CB 0.156 63.137 63.200 -0.365 0.000 0.822 190 S HN 0.950 nan 8.310 nan 0.000 0.513 191 T N 2.650 117.264 114.554 0.100 0.000 3.087 191 T HA 0.193 4.543 4.350 0.000 0.000 0.351 191 T C -1.023 173.794 174.700 0.195 0.000 1.520 191 T CA -0.735 61.476 62.100 0.186 0.000 1.111 191 T CB 1.041 69.957 68.868 0.081 0.000 1.353 191 T HN 0.545 nan 8.240 nan 0.000 0.481 192 V N 4.352 124.289 119.914 0.038 0.000 2.506 192 V HA 0.066 4.186 4.120 0.000 0.000 0.296 192 V C -1.394 174.617 176.094 -0.138 0.000 1.004 192 V CA -0.479 61.633 62.300 -0.313 0.000 1.150 192 V CB -0.516 31.109 31.823 -0.330 0.000 0.911 192 V HN 0.731 nan 8.190 nan 0.000 0.476 193 P HA 0.235 nan 4.420 nan 0.000 0.275 193 P C 0.616 177.881 177.300 -0.058 0.000 1.262 193 P CA 1.260 64.325 63.100 -0.059 0.000 0.834 193 P CB 0.001 31.672 31.700 -0.049 0.000 1.098 265 T N 1.497 116.081 114.554 0.051 0.000 2.110 265 T HA -0.298 4.052 4.350 0.000 0.000 0.184 265 T C 0.688 175.409 174.700 0.035 0.000 1.743 265 T CA 2.170 64.299 62.100 0.049 0.000 1.046 265 T CB -0.216 68.695 68.868 0.071 0.000 0.835 265 T HN 0.758 nan 8.240 nan 0.000 0.407 266 Q N 2.045 121.861 119.800 0.027 0.000 2.644 266 Q HA 0.274 4.614 4.340 0.000 0.000 0.245 266 Q C -2.723 173.260 176.000 -0.027 0.000 1.064 266 Q CA -1.929 53.866 55.803 -0.014 0.000 0.860 266 Q CB 1.164 29.863 28.738 -0.064 0.000 1.145 266 Q HN 0.479 nan 8.270 nan 0.000 0.515 267 P HA -0.020 nan 4.420 nan 0.000 0.258 267 P C -0.446 176.863 177.300 0.016 0.000 1.187 267 P CA 0.418 63.538 63.100 0.033 0.000 0.767 267 P CB 0.459 32.187 31.700 0.046 0.000 0.770 268 R N 2.400 122.907 120.500 0.013 0.000 2.480 268 R HA 0.302 4.642 4.340 0.000 0.000 0.306 268 R C 0.169 176.534 176.300 0.108 0.000 0.958 268 R CA -0.773 55.332 56.100 0.009 0.000 0.861 268 R CB 1.425 31.652 30.300 -0.122 0.000 1.171 268 R HN 0.576 nan 8.270 nan 0.000 0.445 269 H N 5.359 124.443 119.070 0.024 0.000 2.846 269 H HA 0.261 4.817 4.556 0.000 0.000 0.278 269 H C -0.795 174.551 175.328 0.031 0.000 1.117 269 H CA -0.002 56.068 56.048 0.036 0.000 1.406 269 H CB 0.263 30.036 29.762 0.017 0.000 1.445 269 H HN 0.535 nan 8.280 nan 0.000 0.469 270 I N 6.184 126.803 120.570 0.081 0.000 2.439 270 I HA 0.157 4.327 4.170 0.000 0.000 0.285 270 I C -0.127 175.931 176.117 -0.099 0.000 1.021 270 I CA -0.687 60.655 61.300 0.069 0.000 1.091 270 I CB 1.843 39.898 38.000 0.092 0.000 1.242 270 I HN 0.598 nan 8.210 nan 0.000 0.439 271 E N 6.402 126.541 120.200 -0.102 0.000 2.249 271 E HA 0.761 5.111 4.350 0.000 0.000 0.263 271 E C -1.332 175.090 176.600 -0.297 0.000 0.950 271 E CA -0.933 55.315 56.400 -0.252 0.000 0.827 271 E CB 2.768 32.407 29.700 -0.102 0.000 1.220 271 E HN 0.289 nan 8.360 nan 0.000 0.411 272 I N 1.240 121.566 120.570 -0.405 0.000 2.465 272 I HA 0.122 4.292 4.170 0.000 0.000 0.291 272 I C -0.820 175.177 176.117 -0.199 0.000 1.014 272 I CA -0.579 60.526 61.300 -0.326 0.000 1.093 272 I CB 2.024 39.735 38.000 -0.482 0.000 1.267 272 I HN 0.494 nan 8.210 nan 0.000 0.431 273 Q N 5.888 125.625 119.800 -0.107 0.000 2.360 273 Q HA 0.625 4.965 4.340 0.000 0.000 0.254 273 Q C -1.110 174.869 176.000 -0.035 0.000 0.975 273 Q CA -0.475 55.288 55.803 -0.066 0.000 0.912 273 Q CB 1.146 29.866 28.738 -0.029 0.000 1.212 273 Q HN 0.525 nan 8.270 nan 0.000 0.452 274 V N 2.136 122.006 119.914 -0.074 0.000 2.815 274 V HA 0.780 4.900 4.120 0.000 0.000 0.314 274 V C -1.009 175.038 176.094 -0.079 0.000 1.064 274 V CA -1.023 61.247 62.300 -0.049 0.000 0.952 274 V CB 1.992 33.770 31.823 -0.075 0.000 1.020 274 V HN 0.759 nan 8.190 nan 0.000 0.439 275 L N 2.362 123.567 121.223 -0.030 0.000 2.493 275 L HA 0.657 4.997 4.340 0.000 0.000 0.265 275 L C -0.279 176.610 176.870 0.032 0.000 0.954 275 L CA -0.370 54.472 54.840 0.003 0.000 0.844 275 L CB 1.920 43.989 42.059 0.016 0.000 1.302 275 L HN 1.085 nan 8.230 nan 0.000 0.405 276 C N 0.900 120.246 119.300 0.076 0.000 2.596 276 C HA 0.774 5.234 4.460 0.000 0.000 0.072 276 C C -0.643 174.389 174.990 0.069 0.000 2.303 276 C CA 0.168 59.233 59.018 0.080 0.000 1.565 276 C CB 0.381 28.189 27.740 0.114 0.000 2.509 276 C HN 0.979 nan 8.230 nan 0.000 0.371 277 D N -1.567 118.859 120.400 0.043 0.000 3.302 277 D HA 0.004 4.644 4.640 0.000 0.000 0.302 277 D C -0.672 175.525 176.300 -0.172 0.000 1.026 277 D CA -0.233 53.735 54.000 -0.053 0.000 0.712 277 D CB -0.444 40.363 40.800 0.011 0.000 1.610 277 D HN 0.138 nan 8.370 nan 0.000 0.502 278 S N -0.826 114.624 115.700 -0.416 0.000 2.786 278 S HA 0.019 4.489 4.470 0.000 0.000 0.223 278 S C 0.124 174.488 174.600 -0.393 0.000 0.956 278 S CA -0.078 57.898 58.200 -0.373 0.000 0.961 278 S CB -0.516 62.485 63.200 -0.331 0.000 0.784 278 S HN 0.410 nan 8.310 nan 0.000 0.519 279 H N -0.321 118.767 119.070 0.029 0.000 2.481 279 H HA 0.337 4.893 4.556 0.000 0.000 0.273 279 H C 1.628 176.972 175.328 0.027 0.000 1.145 279 H CA 0.057 56.120 56.048 0.025 0.000 0.964 279 H CB -0.223 29.554 29.762 0.025 0.000 1.722 279 H HN 0.394 nan 8.280 nan 0.000 0.573 280 G N 1.456 110.302 108.800 0.076 0.000 2.587 280 G HA2 -0.401 3.559 3.960 0.000 0.000 0.246 280 G HA3 -0.401 3.559 3.960 0.000 0.000 0.246 280 G C 0.618 175.558 174.900 0.067 0.000 1.058 280 G CA 0.820 45.959 45.100 0.065 0.000 0.658 280 G HN 0.417 nan 8.290 nan 0.000 0.538 281 N N 1.220 119.970 118.700 0.083 0.000 2.297 281 N HA 0.511 5.251 4.740 0.000 0.000 0.232 281 N C 0.457 176.003 175.510 0.060 0.000 1.311 281 N CA 1.444 54.535 53.050 0.068 0.000 0.897 281 N CB 0.797 39.329 38.487 0.075 0.000 1.137 281 N HN 1.224 nan 8.380 nan 0.000 0.449 282 G N -0.970 107.859 108.800 0.048 0.000 2.433 282 G HA2 0.472 4.432 3.960 0.000 0.000 0.306 282 G HA3 0.472 4.432 3.960 0.000 0.000 0.306 282 G C -1.372 173.547 174.900 0.032 0.000 1.627 282 G CA -0.769 44.358 45.100 0.044 0.000 0.893 282 G HN 0.631 nan 8.290 nan 0.000 0.648 283 I N -0.888 119.689 120.570 0.013 0.000 3.102 283 I HA 0.835 5.005 4.170 0.000 0.000 0.310 283 I C -0.965 175.153 176.117 0.001 0.000 1.246 283 I CA -1.798 59.486 61.300 -0.027 0.000 0.979 283 I CB 2.359 40.283 38.000 -0.128 0.000 1.267 283 I HN 0.667 nan 8.210 nan 0.000 0.451 284 Y N 1.901 122.175 120.300 -0.044 0.000 2.457 284 Y HA 0.811 5.361 4.550 0.000 0.000 0.333 284 Y C -0.945 174.917 175.900 -0.064 0.000 1.119 284 Y CA -1.465 56.594 58.100 -0.068 0.000 1.143 284 Y CB 1.164 39.574 38.460 -0.083 0.000 1.230 284 Y HN 0.412 nan 8.280 nan 0.000 0.469 285 L N 3.377 124.634 121.223 0.057 0.000 2.892 285 L HA 0.677 5.017 4.340 0.000 0.000 0.251 285 L C 0.527 177.411 176.870 0.024 0.000 1.339 285 L CA 0.141 54.968 54.840 -0.020 0.000 0.900 285 L CB 0.353 42.388 42.059 -0.040 0.000 1.246 285 L HN 1.208 nan 8.230 nan 0.000 0.524 286 G N 0.424 109.300 108.800 0.127 0.000 2.782 286 G HA2 -0.004 3.956 3.960 0.000 0.000 0.228 286 G HA3 -0.004 3.956 3.960 0.000 0.000 0.228 286 G C -0.704 174.178 174.900 -0.030 0.000 1.372 286 G CA -0.212 44.915 45.100 0.045 0.000 0.862 286 G HN 0.548 nan 8.290 nan 0.000 0.547 287 E N 0.018 120.169 120.200 -0.082 0.000 2.299 287 E HA 0.746 5.096 4.350 0.000 0.000 0.265 287 E C -0.419 176.124 176.600 -0.095 0.000 0.911 287 E CA -1.034 55.298 56.400 -0.112 0.000 0.789 287 E CB 1.435 31.055 29.700 -0.135 0.000 1.246 287 E HN 0.779 nan 8.360 nan 0.000 0.427 288 R N 1.162 121.622 120.500 -0.067 0.000 2.480 288 R HA 0.347 4.687 4.340 0.000 0.000 0.306 288 R C -0.512 175.807 176.300 0.031 0.000 0.958 288 R CA -0.665 55.417 56.100 -0.030 0.000 0.861 288 R CB 1.982 32.267 30.300 -0.025 0.000 1.171 288 R HN 0.599 nan 8.270 nan 0.000 0.445 289 E N 2.682 122.920 120.200 0.063 0.000 2.115 289 E HA 0.180 4.530 4.350 0.000 0.000 0.282 289 E C -0.670 175.972 176.600 0.069 0.000 0.987 289 E CA -0.547 55.917 56.400 0.107 0.000 0.797 289 E CB 0.750 30.529 29.700 0.131 0.000 1.086 289 E HN 0.693 nan 8.360 nan 0.000 0.397 290 C N 3.965 123.287 119.300 0.036 0.000 2.534 290 C HA 0.242 4.702 4.460 0.000 0.000 0.285 290 C C 1.621 176.506 174.990 -0.175 0.000 1.505 290 C CA -0.552 58.385 59.018 -0.134 0.000 1.715 290 C CB -1.275 26.270 27.740 -0.325 0.000 2.935 290 C HN 0.648 nan 8.230 nan 0.000 0.540 291 S N 1.966 117.646 115.700 -0.034 0.000 2.355 291 S HA -0.054 4.416 4.470 0.000 0.000 0.222 291 S C 0.803 175.383 174.600 -0.034 0.000 1.031 291 S CA 0.993 59.190 58.200 -0.004 0.000 0.993 291 S CB -0.217 62.990 63.200 0.011 0.000 0.859 291 S HN 0.720 nan 8.310 nan 0.000 0.453 292 I N 3.337 123.859 120.570 -0.080 0.000 2.624 292 I HA 0.097 4.267 4.170 0.000 0.000 0.307 292 I C 0.222 176.327 176.117 -0.020 0.000 1.191 292 I CA 0.186 61.443 61.300 -0.072 0.000 1.708 292 I CB -1.244 36.605 38.000 -0.252 0.000 1.521 292 I HN 0.255 nan 8.210 nan 0.000 0.805 293 Q N 4.772 124.581 119.800 0.016 0.000 2.372 293 Q HA 0.635 4.975 4.340 0.000 0.000 0.273 293 Q C -0.657 175.352 176.000 0.015 0.000 1.078 293 Q CA -1.109 54.693 55.803 -0.001 0.000 0.806 293 Q CB 2.396 31.096 28.738 -0.062 0.000 1.332 293 Q HN 0.601 nan 8.270 nan 0.000 0.435 294 R N 1.829 122.317 120.500 -0.021 0.000 2.346 294 R HA 0.416 4.756 4.340 0.000 0.000 0.311 294 R C -0.361 175.869 176.300 -0.116 0.000 0.983 294 R CA -0.334 55.708 56.100 -0.095 0.000 0.880 294 R CB 0.880 31.030 30.300 -0.250 0.000 1.100 294 R HN 0.896 nan 8.270 nan 0.000 0.453 295 R N 2.924 123.361 120.500 -0.104 0.000 3.610 295 R HA -0.319 4.021 4.340 0.000 0.000 0.274 295 R C -0.363 175.899 176.300 -0.063 0.000 1.123 295 R CA 0.986 57.032 56.100 -0.090 0.000 0.747 295 R CB -1.341 28.885 30.300 -0.124 0.000 1.149 295 R HN 1.066 nan 8.270 nan 0.000 0.471 296 N N -1.722 116.952 118.700 -0.045 0.000 2.955 296 N HA -0.259 4.481 4.740 0.000 0.000 0.230 296 N C 0.078 175.564 175.510 -0.039 0.000 0.891 296 N CA 1.858 54.889 53.050 -0.032 0.000 1.002 296 N CB -0.503 37.972 38.487 -0.020 0.000 1.063 296 N HN 0.683 nan 8.380 nan 0.000 0.601 297 Q N 2.088 121.858 119.800 -0.049 0.000 2.314 297 Q HA 0.223 4.563 4.340 0.000 0.000 0.257 297 Q C -0.467 175.536 176.000 0.005 0.000 0.975 297 Q CA -0.242 55.542 55.803 -0.031 0.000 0.933 297 Q CB 0.653 29.346 28.738 -0.076 0.000 1.195 297 Q HN 0.065 nan 8.270 nan 0.000 0.426 298 K N 2.350 122.754 120.400 0.006 0.000 2.436 298 K HA 0.010 4.330 4.320 0.000 0.000 0.275 298 K C 0.165 176.804 176.600 0.065 0.000 0.999 298 K CA -0.218 56.060 56.287 -0.014 0.000 0.980 298 K CB 1.001 33.457 32.500 -0.074 0.000 0.919 298 K HN 0.496 nan 8.250 nan 0.000 0.484 299 V N 1.992 121.922 119.914 0.027 0.000 2.854 299 V HA 0.028 4.148 4.120 0.000 0.000 0.236 299 V C -0.041 176.024 176.094 -0.047 0.000 1.157 299 V CA 0.199 62.531 62.300 0.054 0.000 1.187 299 V CB 1.044 32.931 31.823 0.107 0.000 0.949 299 V HN 0.456 nan 8.190 nan 0.000 0.488 300 V N 1.645 121.506 119.914 -0.089 0.000 2.483 300 V HA 0.585 4.705 4.120 0.000 0.000 0.297 300 V C -1.145 174.907 176.094 -0.072 0.000 1.027 300 V CA -0.605 61.620 62.300 -0.126 0.000 0.855 300 V CB 1.599 33.267 31.823 -0.260 0.000 0.995 300 V HN 0.441 nan 8.190 nan 0.000 0.424 301 E N 3.164 123.342 120.200 -0.036 0.000 2.207 301 E HA 0.735 5.085 4.350 0.000 0.000 0.270 301 E C -0.619 176.024 176.600 0.071 0.000 0.927 301 E CA -0.759 55.641 56.400 -0.000 0.000 0.799 301 E CB 2.130 31.811 29.700 -0.031 0.000 1.172 301 E HN 0.886 nan 8.360 nan 0.000 0.404 302 E N 0.238 120.505 120.200 0.111 0.000 2.429 302 E HA 0.861 5.211 4.350 0.000 0.000 0.276 302 E C -1.485 175.140 176.600 0.041 0.000 0.953 302 E CA -1.601 54.909 56.400 0.184 0.000 0.787 302 E CB 1.939 31.889 29.700 0.417 0.000 1.307 302 E HN 0.424 nan 8.360 nan 0.000 0.458 303 A N 1.878 124.619 122.820 -0.131 0.000 2.488 303 A HA 0.587 4.907 4.320 0.000 0.000 0.295 303 A C -2.792 174.209 177.584 -0.972 0.000 1.045 303 A CA -1.306 50.499 52.037 -0.387 0.000 0.703 303 A CB 1.591 20.468 19.000 -0.205 0.000 1.271 303 A HN 0.537 nan 8.150 nan 0.000 0.400 304 P HA 0.229 nan 4.420 nan 0.000 0.323 304 P C 0.240 177.269 177.300 -0.452 0.000 1.319 304 P CA -0.192 62.484 63.100 -0.706 0.000 0.741 304 P CB 0.729 32.134 31.700 -0.492 0.000 1.545 305 S N -0.355 115.340 115.700 -0.008 0.000 2.457 305 S HA 0.369 4.839 4.470 0.000 0.000 0.289 305 S C -1.817 173.052 174.600 0.449 0.000 1.163 305 S CA -1.907 56.449 58.200 0.258 0.000 1.078 305 S CB 0.056 63.368 63.200 0.186 0.000 0.987 305 S HN 0.154 nan 8.310 nan 0.000 0.482 306 P HA 0.047 nan 4.420 nan 0.000 0.236 306 P C 0.222 177.689 177.300 0.277 0.000 1.172 306 P CA 0.467 63.753 63.100 0.310 0.000 0.759 306 P CB 0.030 31.758 31.700 0.047 0.000 0.843 307 F N 0.801 120.824 119.950 0.122 0.000 2.468 307 F HA 0.230 4.757 4.527 0.000 0.000 0.250 307 F C 0.350 176.199 175.800 0.083 0.000 0.990 307 F CA -0.445 57.606 58.000 0.084 0.000 1.043 307 F CB -0.879 38.170 39.000 0.082 0.000 1.184 307 F HN -0.353 nan 8.300 nan 0.000 0.690 308 L N 2.370 123.647 121.223 0.089 0.000 2.525 308 L HA 0.209 4.549 4.340 0.000 0.000 0.278 308 L C -0.482 176.370 176.870 -0.031 0.000 1.218 308 L CA -0.817 53.991 54.840 -0.055 0.000 0.878 308 L CB -0.786 41.332 42.059 0.098 0.000 1.127 308 L HN 0.404 nan 8.230 nan 0.000 0.492 309 D N 0.954 121.310 120.400 -0.073 0.000 2.466 309 D HA 0.200 4.840 4.640 0.000 0.000 0.262 309 D C 0.729 177.027 176.300 -0.005 0.000 1.177 309 D CA -0.505 53.476 54.000 -0.031 0.000 1.035 309 D CB 0.406 41.174 40.800 -0.052 0.000 1.105 309 D HN 0.557 nan 8.370 nan 0.000 0.551 310 E N -0.034 120.171 120.200 0.008 0.000 2.068 310 E HA -0.319 4.031 4.350 0.000 0.000 0.207 310 E C 2.039 178.650 176.600 0.019 0.000 1.032 310 E CA 2.061 58.472 56.400 0.019 0.000 0.839 310 E CB -0.965 28.748 29.700 0.022 0.000 0.758 310 E HN 0.611 nan 8.360 nan 0.000 0.457 311 A N 0.564 123.393 122.820 0.016 0.000 1.841 311 A HA -0.215 4.105 4.320 0.000 0.000 0.216 311 A C 2.487 180.092 177.584 0.034 0.000 1.199 311 A CA 2.920 54.972 52.037 0.025 0.000 0.621 311 A CB -1.295 17.717 19.000 0.021 0.000 0.835 311 A HN 0.392 nan 8.150 nan 0.000 0.445 312 T N -1.372 113.206 114.554 0.039 0.000 2.849 312 T HA -0.194 4.156 4.350 0.000 0.000 0.270 312 T C 1.991 176.692 174.700 0.003 0.000 1.066 312 T CA 1.881 64.031 62.100 0.084 0.000 1.130 312 T CB -0.345 68.580 68.868 0.095 0.000 0.864 312 T HN 0.545 nan 8.240 nan 0.000 0.481 313 R N 0.085 120.571 120.500 -0.024 0.000 2.064 313 R HA 0.065 4.405 4.340 0.000 0.000 0.228 313 R C 2.740 178.956 176.300 -0.140 0.000 1.144 313 R CA 1.435 57.490 56.100 -0.075 0.000 0.932 313 R CB -0.201 30.085 30.300 -0.022 0.000 0.833 313 R HN 0.320 nan 8.270 nan 0.000 0.429 314 R N 0.128 120.594 120.500 -0.058 0.000 2.127 314 R HA -0.129 4.211 4.340 0.000 0.000 0.238 314 R C 2.322 178.542 176.300 -0.134 0.000 1.134 314 R CA 1.285 57.347 56.100 -0.063 0.000 0.975 314 R CB -0.460 29.876 30.300 0.060 0.000 0.865 314 R HN 0.358 nan 8.270 nan 0.000 0.447 315 A N 1.386 124.172 122.820 -0.056 0.000 1.859 315 A HA -0.235 4.085 4.320 0.000 0.000 0.217 315 A C 2.212 179.714 177.584 -0.137 0.000 1.198 315 A CA 1.802 53.860 52.037 0.034 0.000 0.629 315 A CB -0.516 18.632 19.000 0.247 0.000 0.830 315 A HN 0.201 nan 8.150 nan 0.000 0.446 316 M N -0.634 118.668 119.600 -0.497 0.000 2.117 316 M HA -0.060 4.420 4.480 0.000 0.000 0.262 316 M C 2.341 178.420 176.300 -0.369 0.000 1.065 316 M CA 1.427 56.351 55.300 -0.627 0.000 1.114 316 M CB -0.755 31.488 32.600 -0.596 0.000 1.361 316 M HN 0.495 nan 8.290 nan 0.000 0.408 317 G N 0.529 108.969 108.800 -0.599 0.000 2.453 317 G HA2 -0.204 3.756 3.960 0.000 0.000 0.215 317 G HA3 -0.204 3.756 3.960 0.000 0.000 0.215 317 G C 1.323 175.636 174.900 -0.978 0.000 1.201 317 G CA 0.941 45.309 45.100 -1.221 0.000 0.784 317 G HN 0.501 nan 8.290 nan 0.000 0.545 318 E N -0.131 119.755 120.200 -0.525 0.000 2.058 318 E HA -0.211 4.139 4.350 0.000 0.000 0.194 318 E C 2.461 179.041 176.600 -0.033 0.000 0.997 318 E CA 1.255 57.599 56.400 -0.092 0.000 0.801 318 E CB -0.179 29.531 29.700 0.016 0.000 0.746 318 E HN 0.612 nan 8.360 nan 0.000 0.450 319 Q N 0.452 120.238 119.800 -0.023 0.000 2.167 319 Q HA -0.139 4.201 4.340 0.000 0.000 0.202 319 Q C 2.051 178.107 176.000 0.095 0.000 0.970 319 Q CA 1.059 56.902 55.803 0.066 0.000 0.855 319 Q CB -0.038 28.790 28.738 0.151 0.000 0.911 319 Q HN 0.248 nan 8.270 nan 0.000 0.438 320 A N 0.461 123.311 122.820 0.050 0.000 1.834 320 A HA -0.185 4.135 4.320 0.000 0.000 0.216 320 A C 2.172 179.778 177.584 0.037 0.000 1.203 320 A CA 1.679 53.751 52.037 0.058 0.000 0.621 320 A CB -1.419 17.474 19.000 -0.177 0.000 0.841 320 A HN 0.380 nan 8.150 nan 0.000 0.446 321 V N -0.061 119.869 119.914 0.026 0.000 2.392 321 V HA -0.193 3.927 4.120 0.000 0.000 0.249 321 V C 2.647 178.781 176.094 0.067 0.000 1.059 321 V CA 2.464 64.810 62.300 0.077 0.000 1.051 321 V CB -1.031 30.902 31.823 0.183 0.000 0.658 321 V HN 0.668 nan 8.190 nan 0.000 0.455 322 A N 0.359 123.218 122.820 0.064 0.000 1.841 322 A HA -0.233 4.087 4.320 0.000 0.000 0.216 322 A C 2.203 179.814 177.584 0.046 0.000 1.199 322 A CA 2.303 54.372 52.037 0.054 0.000 0.621 322 A CB -1.051 17.977 19.000 0.047 0.000 0.835 322 A HN 0.742 nan 8.150 nan 0.000 0.445 323 L N -0.110 121.141 121.223 0.046 0.000 2.089 323 L HA -0.188 4.152 4.340 0.000 0.000 0.213 323 L C 2.482 179.384 176.870 0.053 0.000 1.079 323 L CA 2.264 57.125 54.840 0.034 0.000 0.758 323 L CB -0.959 41.130 42.059 0.049 0.000 0.891 323 L HN 0.449 nan 8.230 nan 0.000 0.433 324 A N 0.186 123.039 122.820 0.055 0.000 1.849 324 A HA -0.337 3.983 4.320 0.000 0.000 0.216 324 A C 2.230 179.868 177.584 0.090 0.000 1.225 324 A CA 2.629 54.700 52.037 0.056 0.000 0.653 324 A CB -0.916 18.098 19.000 0.023 0.000 0.844 324 A HN 0.556 nan 8.150 nan 0.000 0.453 325 K N -0.367 120.078 120.400 0.075 0.000 2.077 325 K HA -0.243 4.077 4.320 0.000 0.000 0.213 325 K C 2.118 178.756 176.600 0.064 0.000 1.051 325 K CA 1.580 57.909 56.287 0.071 0.000 0.929 325 K CB -0.621 31.913 32.500 0.056 0.000 0.715 325 K HN 0.537 nan 8.250 nan 0.000 0.451 326 A N 0.767 123.618 122.820 0.051 0.000 2.117 326 A HA -0.195 4.125 4.320 0.000 0.000 0.224 326 A C 2.176 179.787 177.584 0.044 0.000 1.167 326 A CA 2.105 54.164 52.037 0.037 0.000 0.664 326 A CB -0.436 18.577 19.000 0.022 0.000 0.811 326 A HN 0.249 nan 8.150 nan 0.000 0.470 327 V N -2.028 117.928 119.914 0.071 0.000 3.477 327 V HA 0.468 4.588 4.120 0.000 0.000 0.297 327 V C 1.044 177.182 176.094 0.073 0.000 1.433 327 V CA 1.187 63.532 62.300 0.076 0.000 1.052 327 V CB -0.326 31.565 31.823 0.112 0.000 0.895 327 V HN 1.534 nan 8.190 nan 0.000 0.438 328 G N 0.804 109.652 108.800 0.081 0.000 2.326 328 G HA2 -0.309 3.651 3.960 0.000 0.000 0.286 328 G HA3 -0.309 3.651 3.960 0.000 0.000 0.286 328 G C -0.380 174.564 174.900 0.072 0.000 1.096 328 G CA 0.427 45.562 45.100 0.058 0.000 1.003 328 G HN 0.675 nan 8.290 nan 0.000 0.503 329 Y N 0.441 120.746 120.300 0.008 0.000 2.304 329 Y HA 0.608 5.158 4.550 0.000 0.000 0.328 329 Y C 1.082 176.981 175.900 -0.002 0.000 1.123 329 Y CA 0.431 58.538 58.100 0.011 0.000 1.218 329 Y CB 1.363 39.841 38.460 0.031 0.000 1.207 329 Y HN 0.378 nan 8.280 nan 0.000 0.495 330 A N 2.936 125.791 122.820 0.058 0.000 2.070 330 A HA 0.123 4.443 4.320 0.000 0.000 0.221 330 A C 1.643 179.357 177.584 0.217 0.000 1.603 330 A CA 0.919 53.000 52.037 0.073 0.000 0.639 330 A CB -1.043 17.914 19.000 -0.071 0.000 1.235 330 A HN 0.704 nan 8.150 nan 0.000 0.518 331 S N -0.478 115.340 115.700 0.197 0.000 2.465 331 S HA 0.369 4.839 4.470 0.000 0.000 0.215 331 S C 0.742 175.539 174.600 0.328 0.000 1.438 331 S CA 0.362 58.706 58.200 0.241 0.000 1.223 331 S CB -0.341 62.972 63.200 0.188 0.000 0.636 331 S HN 1.014 nan 8.310 nan 0.000 0.421 332 A N -0.638 122.346 122.820 0.273 0.000 2.324 332 A HA 0.746 5.066 4.320 0.000 0.000 0.330 332 A C 0.079 177.718 177.584 0.092 0.000 1.165 332 A CA -0.045 52.058 52.037 0.110 0.000 0.813 332 A CB 1.134 20.169 19.000 0.059 0.000 1.197 332 A HN 0.869 nan 8.150 nan 0.000 0.484 333 G N -0.790 107.874 108.800 -0.225 0.000 2.684 333 G HA2 0.579 4.539 3.960 0.000 0.000 0.290 333 G HA3 0.579 4.539 3.960 0.000 0.000 0.290 333 G C -1.109 173.657 174.900 -0.223 0.000 1.425 333 G CA -0.085 44.835 45.100 -0.301 0.000 0.822 333 G HN 0.898 nan 8.290 nan 0.000 0.482 334 T N -0.574 113.902 114.554 -0.131 0.000 2.841 334 T HA 0.552 4.902 4.350 0.000 0.000 0.283 334 T C -0.450 174.184 174.700 -0.110 0.000 1.000 334 T CA -0.389 61.643 62.100 -0.113 0.000 0.977 334 T CB 1.101 69.932 68.868 -0.062 0.000 0.979 334 T HN 1.367 nan 8.240 nan 0.000 0.446 335 V N 3.016 122.831 119.914 -0.167 0.000 2.313 335 V HA 0.628 4.748 4.120 0.000 0.000 0.278 335 V C -0.094 175.804 176.094 -0.327 0.000 1.017 335 V CA -0.856 61.358 62.300 -0.144 0.000 0.823 335 V CB 0.901 32.681 31.823 -0.073 0.000 1.010 335 V HN 0.891 nan 8.190 nan 0.000 0.443 336 E N 5.487 125.548 120.200 -0.233 0.000 2.229 336 E HA 0.509 4.859 4.350 0.000 0.000 0.283 336 E C -0.962 175.622 176.600 -0.026 0.000 1.030 336 E CA -0.117 56.117 56.400 -0.277 0.000 0.836 336 E CB 1.420 30.935 29.700 -0.308 0.000 1.068 336 E HN 0.742 nan 8.360 nan 0.000 0.401 337 F N 1.500 121.311 119.950 -0.232 0.000 2.557 337 F HA 0.489 5.016 4.527 0.000 0.000 0.336 337 F C 0.190 175.940 175.800 -0.082 0.000 1.058 337 F CA -1.459 56.496 58.000 -0.075 0.000 0.988 337 F CB 1.257 40.258 39.000 0.002 0.000 1.275 337 F HN 0.246 nan 8.300 nan 0.000 0.488 338 I N 1.886 122.620 120.570 0.274 0.000 2.782 338 I HA 0.183 4.353 4.170 0.000 0.000 0.279 338 I C -0.249 176.049 176.117 0.302 0.000 1.247 338 I CA -0.158 61.270 61.300 0.213 0.000 1.062 338 I CB 0.713 38.819 38.000 0.177 0.000 1.421 338 I HN 0.098 nan 8.210 nan 0.000 0.558 339 V N 4.052 124.123 119.914 0.262 0.000 2.999 339 V HA 0.115 4.235 4.120 0.000 0.000 0.307 339 V C 0.532 176.750 176.094 0.207 0.000 1.084 339 V CA 0.158 62.617 62.300 0.265 0.000 1.155 339 V CB 0.724 32.729 31.823 0.304 0.000 0.975 339 V HN 0.801 nan 8.190 nan 0.000 0.490 340 D N 2.107 122.644 120.400 0.230 0.000 2.636 340 D HA 0.354 4.994 4.640 0.000 0.000 0.236 340 D C 1.253 177.646 176.300 0.155 0.000 1.176 340 D CA 0.175 54.277 54.000 0.170 0.000 1.081 340 D CB 0.442 41.378 40.800 0.227 0.000 1.213 340 D HN 0.479 nan 8.370 nan 0.000 0.633 341 G N -1.457 107.432 108.800 0.149 0.000 2.534 341 G HA2 -0.105 3.855 3.960 0.000 0.000 0.217 341 G HA3 -0.105 3.855 3.960 0.000 0.000 0.217 341 G C 0.659 175.750 174.900 0.318 0.000 1.128 341 G CA 0.410 45.630 45.100 0.201 0.000 0.784 341 G HN 0.320 nan 8.290 nan 0.000 0.542 342 Q N -0.116 119.833 119.800 0.249 0.000 2.186 342 Q HA 0.282 4.622 4.340 0.000 0.000 0.241 342 Q C 0.278 176.374 176.000 0.160 0.000 0.849 342 Q CA -0.298 55.611 55.803 0.176 0.000 1.053 342 Q CB 0.444 29.244 28.738 0.103 0.000 1.146 342 Q HN 0.485 nan 8.270 nan 0.000 0.475 343 K N 0.489 121.071 120.400 0.303 0.000 3.274 343 K HA -0.149 4.171 4.320 0.000 0.000 0.300 343 K C -0.086 176.608 176.600 0.157 0.000 1.230 343 K CA 0.358 56.800 56.287 0.258 0.000 0.884 343 K CB -0.953 31.573 32.500 0.044 0.000 1.242 343 K HN 0.256 nan 8.250 nan 0.000 0.467 344 N N 1.446 120.187 118.700 0.069 0.000 2.402 344 N HA 0.067 4.807 4.740 0.000 0.000 0.259 344 N C -0.346 174.929 175.510 -0.392 0.000 1.167 344 N CA 0.270 53.199 53.050 -0.202 0.000 0.949 344 N CB 0.143 38.582 38.487 -0.080 0.000 1.212 344 N HN 0.127 nan 8.380 nan 0.000 0.493 345 F N 2.565 122.237 119.950 -0.463 0.000 2.377 345 F HA 0.536 5.063 4.527 0.000 0.000 0.328 345 F C -0.389 174.846 175.800 -0.941 0.000 1.094 345 F CA -0.738 56.981 58.000 -0.469 0.000 1.093 345 F CB 0.428 39.335 39.000 -0.155 0.000 1.214 345 F HN 0.235 nan 8.300 nan 0.000 0.518 346 Y N 0.976 121.330 120.300 0.089 0.000 3.338 346 Y HA 0.648 5.198 4.550 0.000 0.000 0.293 346 Y C -1.143 174.706 175.900 -0.085 0.000 1.809 346 Y CA -0.965 57.111 58.100 -0.040 0.000 0.882 346 Y CB 0.909 39.370 38.460 0.002 0.000 1.367 346 Y HN 0.636 nan 8.280 nan 0.000 0.672 347 F N 0.841 120.830 119.950 0.065 0.000 2.722 347 F HA 0.368 4.895 4.527 0.000 0.000 0.336 347 F C -1.219 174.659 175.800 0.129 0.000 1.216 347 F CA -0.865 57.181 58.000 0.077 0.000 1.065 347 F CB 0.896 39.886 39.000 -0.015 0.000 1.325 347 F HN 0.400 nan 8.300 nan 0.000 0.524 348 L N 3.712 124.685 121.223 -0.417 0.000 2.200 348 L HA 0.338 4.678 4.340 0.000 0.000 0.200 348 L C -0.088 176.331 176.870 -0.751 0.000 1.072 348 L CA 1.211 55.825 54.840 -0.377 0.000 0.787 348 L CB 0.114 42.049 42.059 -0.206 0.000 0.957 348 L HN 0.838 nan 8.230 nan 0.000 0.459 349 E N -1.445 118.101 120.200 -1.091 0.000 2.421 349 E HA 0.200 4.550 4.350 0.000 0.000 0.278 349 E C -1.161 175.201 176.600 -0.397 0.000 1.141 349 E CA -0.755 55.169 56.400 -0.792 0.000 0.880 349 E CB 1.054 30.614 29.700 -0.234 0.000 1.381 349 E HN -0.011 nan 8.360 nan 0.000 0.436 350 M N 1.655 121.243 119.600 -0.020 0.000 2.393 350 M HA 0.467 4.947 4.480 0.000 0.000 0.316 350 M C -1.755 174.599 176.300 0.090 0.000 1.087 350 M CA -0.731 54.619 55.300 0.083 0.000 0.937 350 M CB 1.676 34.410 32.600 0.224 0.000 1.668 350 M HN 0.502 nan 8.290 nan 0.000 0.438 351 N N 3.149 121.891 118.700 0.070 0.000 2.444 351 N HA 0.249 4.989 4.740 0.000 0.000 0.262 351 N C -0.804 174.817 175.510 0.184 0.000 0.974 351 N CA -0.153 52.958 53.050 0.102 0.000 0.933 351 N CB 1.733 40.254 38.487 0.057 0.000 1.137 351 N HN 0.624 nan 8.380 nan 0.000 0.498 352 T N 0.727 115.440 114.554 0.265 0.000 3.414 352 T HA 0.469 4.819 4.350 0.000 0.000 0.304 352 T C 0.448 175.337 174.700 0.316 0.000 1.241 352 T CA -0.605 61.755 62.100 0.433 0.000 1.076 352 T CB -0.308 68.724 68.868 0.274 0.000 1.134 352 T HN 0.745 nan 8.240 nan 0.000 0.759 353 R N 0.558 121.252 120.500 0.323 0.000 3.084 353 R HA 0.354 4.694 4.340 0.000 0.000 0.280 353 R C -1.920 174.498 176.300 0.196 0.000 0.935 353 R CA -1.265 54.988 56.100 0.255 0.000 0.815 353 R CB 0.212 30.648 30.300 0.226 0.000 1.457 353 R HN 0.252 nan 8.270 nan 0.000 0.499 354 L N 2.151 123.490 121.223 0.192 0.000 2.305 354 L HA 0.337 4.677 4.340 0.000 0.000 0.281 354 L C -0.545 176.378 176.870 0.089 0.000 1.085 354 L CA -0.069 54.843 54.840 0.121 0.000 0.813 354 L CB 1.432 43.557 42.059 0.111 0.000 1.157 354 L HN 0.627 nan 8.230 nan 0.000 0.436 355 Q N 3.410 123.229 119.800 0.032 0.000 2.261 355 Q HA 0.134 4.474 4.340 0.000 0.000 0.252 355 Q C 1.162 177.178 176.000 0.027 0.000 0.915 355 Q CA -0.274 55.511 55.803 -0.029 0.000 0.915 355 Q CB 2.201 30.941 28.738 0.003 0.000 1.204 355 Q HN 0.649 nan 8.270 nan 0.000 0.421 356 V N 2.452 122.221 119.914 -0.243 0.000 2.282 356 V HA -0.275 3.845 4.120 0.000 0.000 0.249 356 V C 1.844 177.940 176.094 0.002 0.000 1.057 356 V CA 2.343 64.545 62.300 -0.164 0.000 1.032 356 V CB -0.463 31.177 31.823 -0.306 0.000 0.645 356 V HN 0.791 nan 8.190 nan 0.000 0.447 357 E N 1.197 121.372 120.200 -0.042 0.000 2.438 357 E HA -0.182 4.168 4.350 0.000 0.000 0.192 357 E C 1.654 178.224 176.600 -0.050 0.000 1.110 357 E CA 0.571 56.935 56.400 -0.061 0.000 0.893 357 E CB -0.810 28.855 29.700 -0.057 0.000 0.990 357 E HN 0.919 nan 8.360 nan 0.000 0.490 358 H N 0.502 119.554 119.070 -0.030 0.000 2.389 358 H HA 0.074 4.630 4.556 0.000 0.000 0.299 358 H C -0.963 174.353 175.328 -0.020 0.000 1.081 358 H CA 0.612 56.648 56.048 -0.020 0.000 1.345 358 H CB -1.694 28.068 29.762 0.000 0.000 1.393 358 H HN 0.113 nan 8.280 nan 0.000 0.520 359 P HA -0.193 nan 4.420 nan 0.000 0.219 359 P C 2.058 179.255 177.300 -0.172 0.000 1.153 359 P CA 2.033 64.873 63.100 -0.433 0.000 0.865 359 P CB -0.138 31.340 31.700 -0.371 0.000 0.788 360 V N -1.617 118.223 119.914 -0.124 0.000 2.343 360 V HA -0.254 3.866 4.120 0.000 0.000 0.247 360 V C 2.229 178.284 176.094 -0.064 0.000 1.051 360 V CA 2.564 64.830 62.300 -0.057 0.000 1.036 360 V CB -2.109 29.691 31.823 -0.039 0.000 0.654 360 V HN 0.161 nan 8.190 nan 0.000 0.451 361 T N 0.228 114.748 114.554 -0.057 0.000 2.652 361 T HA -0.215 4.135 4.350 0.000 0.000 0.267 361 T C 1.843 176.505 174.700 -0.063 0.000 1.039 361 T CA 1.965 64.035 62.100 -0.051 0.000 1.153 361 T CB -0.357 68.507 68.868 -0.006 0.000 0.863 361 T HN 0.631 nan 8.240 nan 0.000 0.428 362 E N 0.763 120.935 120.200 -0.046 0.000 2.209 362 E HA -0.060 4.290 4.350 0.000 0.000 0.196 362 E C 1.787 178.295 176.600 -0.153 0.000 0.993 362 E CA 0.730 57.090 56.400 -0.067 0.000 0.819 362 E CB -0.264 29.424 29.700 -0.020 0.000 0.745 362 E HN 0.443 nan 8.360 nan 0.000 0.477 363 L N 0.842 121.965 121.223 -0.167 0.000 2.599 363 L HA 0.083 4.423 4.340 0.000 0.000 0.230 363 L C 1.910 178.503 176.870 -0.461 0.000 1.141 363 L CA 0.249 54.902 54.840 -0.310 0.000 0.877 363 L CB -0.091 41.893 42.059 -0.125 0.000 1.009 363 L HN 0.268 nan 8.230 nan 0.000 0.447 364 I N -6.021 114.395 120.570 -0.256 0.000 4.774 364 I HA 0.071 4.241 4.170 0.000 0.000 0.330 364 I C 2.001 178.022 176.117 -0.159 0.000 1.287 364 I CA 0.478 61.672 61.300 -0.176 0.000 1.311 364 I CB 0.007 37.975 38.000 -0.054 0.000 1.315 364 I HN -0.026 nan 8.210 nan 0.000 0.459 365 T N -1.233 113.231 114.554 -0.150 0.000 2.976 365 T HA 0.307 4.657 4.350 0.000 0.000 0.257 365 T C 1.634 176.258 174.700 -0.127 0.000 1.051 365 T CA 0.864 62.895 62.100 -0.116 0.000 1.141 365 T CB -0.217 68.599 68.868 -0.088 0.000 0.881 365 T HN 0.841 nan 8.240 nan 0.000 0.461 366 G N 0.721 109.426 108.800 -0.159 0.000 2.248 366 G HA2 -0.041 3.919 3.960 0.000 0.000 0.252 366 G HA3 -0.041 3.919 3.960 0.000 0.000 0.252 366 G C -0.237 174.605 174.900 -0.096 0.000 1.085 366 G CA -0.175 44.836 45.100 -0.149 0.000 0.845 366 G HN 0.847 nan 8.290 nan 0.000 0.494 367 V N -0.620 119.247 119.914 -0.079 0.000 3.007 367 V HA 0.725 4.845 4.120 0.000 0.000 0.311 367 V C -0.809 175.276 176.094 -0.015 0.000 1.120 367 V CA -0.856 61.419 62.300 -0.042 0.000 0.980 367 V CB 2.237 34.040 31.823 -0.034 0.000 1.033 367 V HN 0.320 nan 8.190 nan 0.000 0.429 368 D N 2.183 122.584 120.400 0.002 0.000 2.472 368 D HA 0.366 5.006 4.640 0.000 0.000 0.234 368 D C 0.956 177.274 176.300 0.030 0.000 1.088 368 D CA -0.304 53.712 54.000 0.026 0.000 0.882 368 D CB 1.217 42.028 40.800 0.019 0.000 1.037 368 D HN 0.459 nan 8.370 nan 0.000 0.520 369 L N 2.454 123.699 121.223 0.037 0.000 2.189 369 L HA -0.191 4.149 4.340 0.000 0.000 0.214 369 L C 2.077 178.946 176.870 -0.002 0.000 1.097 369 L CA 0.799 55.642 54.840 0.004 0.000 0.764 369 L CB -0.182 41.854 42.059 -0.039 0.000 0.900 369 L HN 0.340 nan 8.230 nan 0.000 0.436 370 V N -0.682 119.229 119.914 -0.005 0.000 2.591 370 V HA -0.207 3.913 4.120 0.000 0.000 0.249 370 V C 2.324 178.453 176.094 0.059 0.000 1.053 370 V CA 1.577 63.894 62.300 0.027 0.000 1.068 370 V CB -0.444 31.379 31.823 0.000 0.000 0.689 370 V HN 0.491 nan 8.190 nan 0.000 0.462 371 E N 0.710 120.937 120.200 0.045 0.000 1.996 371 E HA -0.268 4.082 4.350 0.000 0.000 0.197 371 E C 2.277 178.914 176.600 0.062 0.000 1.002 371 E CA 1.598 58.028 56.400 0.051 0.000 0.840 371 E CB -0.232 29.487 29.700 0.032 0.000 0.786 371 E HN 0.555 nan 8.360 nan 0.000 0.469 372 Q N 0.057 119.886 119.800 0.049 0.000 2.242 372 Q HA -0.252 4.088 4.340 0.000 0.000 0.211 372 Q C 2.200 178.241 176.000 0.068 0.000 0.992 372 Q CA 1.708 57.544 55.803 0.055 0.000 0.889 372 Q CB -0.580 28.182 28.738 0.040 0.000 0.913 372 Q HN 0.514 nan 8.270 nan 0.000 0.422 373 M N 0.265 119.905 119.600 0.066 0.000 2.080 373 M HA -0.154 4.326 4.480 0.000 0.000 0.260 373 M C 2.302 178.640 176.300 0.063 0.000 1.068 373 M CA 1.573 56.914 55.300 0.068 0.000 1.109 373 M CB -0.261 32.386 32.600 0.080 0.000 1.342 373 M HN 0.322 nan 8.290 nan 0.000 0.405 374 I N -2.278 118.343 120.570 0.085 0.000 2.333 374 I HA -0.185 3.985 4.170 0.000 0.000 0.246 374 I C 2.257 178.448 176.117 0.123 0.000 1.106 374 I CA 0.728 62.083 61.300 0.091 0.000 1.411 374 I CB -0.765 37.309 38.000 0.124 0.000 1.082 374 I HN 0.132 nan 8.210 nan 0.000 0.420 375 R N 2.080 122.671 120.500 0.152 0.000 2.136 375 R HA -0.188 4.152 4.340 0.000 0.000 0.242 375 R C 2.606 179.006 176.300 0.167 0.000 1.131 375 R CA 2.352 58.568 56.100 0.193 0.000 0.937 375 R CB -1.518 28.862 30.300 0.134 0.000 0.863 375 R HN 0.614 nan 8.270 nan 0.000 0.435 376 V N -1.320 118.666 119.914 0.119 0.000 2.427 376 V HA 0.013 4.133 4.120 0.000 0.000 0.248 376 V C 2.326 178.449 176.094 0.049 0.000 1.051 376 V CA 1.779 64.138 62.300 0.099 0.000 1.048 376 V CB -1.065 30.799 31.823 0.068 0.000 0.666 376 V HN 0.256 nan 8.190 nan 0.000 0.456 377 A N 0.501 123.342 122.820 0.034 0.000 2.225 377 A HA 0.475 4.795 4.320 0.000 0.000 0.215 377 A C 1.648 179.220 177.584 -0.020 0.000 1.164 377 A CA 1.194 53.231 52.037 0.000 0.000 0.710 377 A CB -0.741 18.257 19.000 -0.004 0.000 0.780 377 A HN 1.306 nan 8.150 nan 0.000 0.473 378 A N -0.223 122.601 122.820 0.005 0.000 3.165 378 A HA 0.533 4.853 4.320 0.000 0.000 0.331 378 A C 0.915 178.548 177.584 0.082 0.000 1.034 378 A CA 0.089 52.093 52.037 -0.054 0.000 0.906 378 A CB -1.024 17.860 19.000 -0.193 0.000 1.054 378 A HN 1.582 nan 8.150 nan 0.000 0.484 379 G N 0.837 109.717 108.800 0.133 0.000 2.376 379 G HA2 -0.099 3.861 3.960 0.000 0.000 0.226 379 G HA3 -0.099 3.861 3.960 0.000 0.000 0.226 379 G C -0.128 175.019 174.900 0.412 0.000 0.268 379 G CA 1.291 46.618 45.100 0.379 0.000 1.066 379 G HN 0.906 nan 8.290 nan 0.000 0.474 380 E N 2.528 123.092 120.200 0.608 0.000 2.412 380 E HA 0.557 4.907 4.350 0.000 0.000 0.279 380 E C -2.576 174.183 176.600 0.265 0.000 0.984 380 E CA -1.880 54.666 56.400 0.242 0.000 0.788 380 E CB 2.776 32.597 29.700 0.202 0.000 1.277 380 E HN 0.301 nan 8.360 nan 0.000 0.455 381 P HA 0.327 nan 4.420 nan 0.000 0.306 381 P C -0.759 176.593 177.300 0.086 0.000 1.309 381 P CA -0.543 62.616 63.100 0.099 0.000 0.759 381 P CB 0.978 32.688 31.700 0.017 0.000 1.314 382 L N 0.884 122.143 121.223 0.059 0.000 2.276 382 L HA 0.194 4.534 4.340 0.000 0.000 0.286 382 L C 1.840 178.719 176.870 0.015 0.000 1.024 382 L CA -0.409 54.453 54.840 0.037 0.000 0.826 382 L CB 1.249 43.324 42.059 0.027 0.000 1.211 382 L HN 0.419 nan 8.230 nan 0.000 0.422 383 S N 3.513 119.219 115.700 0.009 0.000 2.440 383 S HA -0.110 4.360 4.470 0.000 0.000 0.240 383 S C 0.639 175.232 174.600 -0.012 0.000 1.014 383 S CA 0.677 58.876 58.200 -0.003 0.000 0.980 383 S CB -0.615 62.582 63.200 -0.006 0.000 0.775 383 S HN 0.625 nan 8.310 nan 0.000 0.499 384 I N -0.818 119.742 120.570 -0.017 0.000 2.689 384 I HA 0.680 4.850 4.170 0.000 0.000 0.299 384 I C -0.191 175.903 176.117 -0.038 0.000 1.059 384 I CA -1.051 60.231 61.300 -0.030 0.000 1.055 384 I CB 2.269 40.244 38.000 -0.041 0.000 1.243 384 I HN 0.060 nan 8.210 nan 0.000 0.425 385 T N 0.390 114.918 114.554 -0.043 0.000 2.884 385 T HA 0.305 4.655 4.350 0.000 0.000 0.277 385 T C 0.784 175.432 174.700 -0.088 0.000 0.976 385 T CA -0.577 61.492 62.100 -0.051 0.000 0.956 385 T CB 1.377 70.224 68.868 -0.035 0.000 1.113 385 T HN 0.687 nan 8.240 nan 0.000 0.554 386 Q N 0.126 119.862 119.800 -0.106 0.000 2.170 386 Q HA -0.029 4.311 4.340 0.000 0.000 0.203 386 Q C 2.381 178.301 176.000 -0.132 0.000 0.976 386 Q CA 1.781 57.479 55.803 -0.175 0.000 0.858 386 Q CB -0.936 27.701 28.738 -0.168 0.000 0.907 386 Q HN 0.975 nan 8.270 nan 0.000 0.433 387 G N 0.968 109.723 108.800 -0.075 0.000 2.484 387 G HA2 -0.188 3.772 3.960 0.000 0.000 0.218 387 G HA3 -0.188 3.772 3.960 0.000 0.000 0.218 387 G C 0.785 175.654 174.900 -0.053 0.000 1.130 387 G CA 0.685 45.754 45.100 -0.051 0.000 0.784 387 G HN 0.272 nan 8.290 nan 0.000 0.543 388 D N 0.484 120.847 120.400 -0.063 0.000 2.202 388 D HA -0.022 4.618 4.640 0.000 0.000 0.214 388 D C 1.559 177.816 176.300 -0.071 0.000 0.967 388 D CA 0.110 54.076 54.000 -0.056 0.000 0.871 388 D CB -0.770 39.999 40.800 -0.051 0.000 1.020 388 D HN 0.043 nan 8.370 nan 0.000 0.474 389 V N 2.819 122.672 119.914 -0.101 0.000 2.596 389 V HA -0.100 4.020 4.120 0.000 0.000 0.260 389 V C 0.820 176.853 176.094 -0.102 0.000 0.968 389 V CA 0.366 62.595 62.300 -0.118 0.000 1.172 389 V CB -0.952 30.760 31.823 -0.185 0.000 1.014 389 V HN 0.043 nan 8.190 nan 0.000 0.468 390 K N 5.122 125.480 120.400 -0.071 0.000 2.118 390 K HA 0.571 4.891 4.320 0.000 0.000 0.254 390 K C -0.702 175.868 176.600 -0.050 0.000 0.961 390 K CA -0.757 55.501 56.287 -0.048 0.000 0.876 390 K CB 1.681 34.163 32.500 -0.029 0.000 1.077 390 K HN 0.555 nan 8.250 nan 0.000 0.440 391 L N 3.576 124.780 121.223 -0.032 0.000 2.337 391 L HA 0.303 4.643 4.340 0.000 0.000 0.269 391 L C -0.173 176.702 176.870 0.008 0.000 1.018 391 L CA -0.703 54.114 54.840 -0.037 0.000 0.876 391 L CB 1.482 43.509 42.059 -0.053 0.000 1.236 391 L HN 0.504 nan 8.230 nan 0.000 0.436 392 T N 0.745 115.327 114.554 0.046 0.000 2.928 392 T HA 0.612 4.962 4.350 0.000 0.000 0.284 392 T C 0.795 175.742 174.700 0.411 0.000 1.008 392 T CA 0.202 62.406 62.100 0.173 0.000 1.057 392 T CB 1.854 70.830 68.868 0.180 0.000 1.018 392 T HN 0.846 nan 8.240 nan 0.000 0.493 393 G N 0.788 109.816 108.800 0.380 0.000 2.681 393 G HA2 -0.211 3.749 3.960 0.000 0.000 0.320 393 G HA3 -0.211 3.749 3.960 0.000 0.000 0.320 393 G C -0.804 174.263 174.900 0.278 0.000 1.339 393 G CA -0.132 45.138 45.100 0.284 0.000 0.916 393 G HN 0.711 nan 8.290 nan 0.000 0.559 394 W N -0.646 120.638 121.300 -0.025 0.000 2.647 394 W HA 0.697 5.357 4.660 -0.000 0.000 0.353 394 W C 0.341 176.983 176.519 0.205 0.000 1.080 394 W CA 0.343 57.733 57.345 0.075 0.000 1.208 394 W CB 2.202 31.634 29.460 -0.047 0.000 1.396 394 W HN 1.089 nan 8.180 nan 0.000 0.573 395 A N 2.796 125.826 122.820 0.350 0.000 2.427 395 A HA 0.781 5.101 4.320 0.000 0.000 0.298 395 A C -1.732 176.015 177.584 0.272 0.000 1.036 395 A CA -0.522 51.701 52.037 0.310 0.000 0.701 395 A CB 0.709 19.836 19.000 0.212 0.000 1.250 395 A HN 0.420 nan 8.150 nan 0.000 0.412 396 I N 1.023 121.735 120.570 0.237 0.000 2.603 396 I HA 0.539 4.709 4.170 0.000 0.000 0.300 396 I C 0.027 176.211 176.117 0.112 0.000 1.017 396 I CA -0.135 61.289 61.300 0.206 0.000 1.098 396 I CB 2.133 40.272 38.000 0.231 0.000 1.279 396 I HN 0.728 nan 8.210 nan 0.000 0.437 397 E N 4.976 125.213 120.200 0.062 0.000 2.265 397 E HA 0.399 4.749 4.350 0.000 0.000 0.262 397 E C -1.496 175.076 176.600 -0.046 0.000 0.889 397 E CA -0.687 55.713 56.400 0.000 0.000 0.789 397 E CB 1.007 30.689 29.700 -0.030 0.000 1.221 397 E HN 0.516 nan 8.360 nan 0.000 0.414 398 N N 2.702 121.362 118.700 -0.068 0.000 2.466 398 N HA 0.412 5.152 4.740 0.000 0.000 0.294 398 N C -0.828 174.586 175.510 -0.159 0.000 1.129 398 N CA -0.430 52.548 53.050 -0.120 0.000 0.931 398 N CB 1.308 39.717 38.487 -0.131 0.000 1.193 398 N HN 0.384 nan 8.380 nan 0.000 0.500 399 R N 0.901 121.271 120.500 -0.216 0.000 2.310 399 R HA 0.369 4.709 4.340 0.000 0.000 0.324 399 R C -0.369 175.691 176.300 -0.400 0.000 0.955 399 R CA -0.628 55.245 56.100 -0.378 0.000 0.830 399 R CB 1.379 31.311 30.300 -0.614 0.000 1.154 399 R HN 0.364 nan 8.270 nan 0.000 0.458 400 L N 4.943 125.954 121.223 -0.353 0.000 2.342 400 L HA 0.236 4.576 4.340 0.000 0.000 0.285 400 L C -0.821 175.929 176.870 -0.199 0.000 1.095 400 L CA -0.028 54.645 54.840 -0.279 0.000 0.843 400 L CB 0.081 41.930 42.059 -0.350 0.000 1.201 400 L HN 0.574 nan 8.230 nan 0.000 0.445 401 Y N 2.144 122.434 120.300 -0.017 0.000 2.330 401 Y HA 0.306 4.856 4.550 -0.000 0.000 0.336 401 Y C 0.820 176.734 175.900 0.023 0.000 1.036 401 Y CA -1.128 56.981 58.100 0.014 0.000 1.125 401 Y CB 1.780 40.265 38.460 0.042 0.000 1.194 401 Y HN 0.632 nan 8.280 nan 0.000 0.469 402 A N 4.398 127.363 122.820 0.241 0.000 3.046 402 A HA 0.162 4.482 4.320 0.000 0.000 0.259 402 A C -0.169 177.468 177.584 0.088 0.000 1.843 402 A CA 0.092 52.221 52.037 0.153 0.000 1.451 402 A CB -0.794 18.286 19.000 0.132 0.000 1.025 402 A HN 0.802 nan 8.150 nan 0.000 0.625 403 E N 0.178 120.405 120.200 0.046 0.000 2.256 403 E HA 0.270 4.620 4.350 0.000 0.000 0.267 403 E C -1.431 175.041 176.600 -0.213 0.000 0.892 403 E CA -0.854 55.513 56.400 -0.056 0.000 0.775 403 E CB 1.691 31.380 29.700 -0.017 0.000 1.207 403 E HN 0.324 nan 8.360 nan 0.000 0.420 404 D N 3.120 123.380 120.400 -0.234 0.000 2.428 404 D HA 0.187 4.827 4.640 0.000 0.000 0.221 404 D C -1.958 174.033 176.300 -0.515 0.000 1.123 404 D CA -2.486 51.342 54.000 -0.287 0.000 0.869 404 D CB 1.346 42.085 40.800 -0.102 0.000 1.032 404 D HN 0.044 nan 8.370 nan 0.000 0.506 405 P HA -0.151 nan 4.420 nan 0.000 0.216 405 P C 0.830 177.893 177.300 -0.395 0.000 1.150 405 P CA 1.194 63.579 63.100 -1.192 0.000 0.843 405 P CB -0.009 31.087 31.700 -1.006 0.000 0.787 406 Y N -0.856 119.394 120.300 -0.083 0.000 2.421 406 Y HA -0.048 4.502 4.550 0.000 0.000 0.292 406 Y C 1.175 177.056 175.900 -0.031 0.000 1.136 406 Y CA 0.541 58.620 58.100 -0.035 0.000 1.255 406 Y CB -0.186 38.240 38.460 -0.056 0.000 0.991 406 Y HN -0.181 nan 8.280 nan 0.000 0.552 407 R N 0.167 120.713 120.500 0.077 0.000 2.868 407 R HA 0.279 4.619 4.340 0.000 0.000 0.289 407 R C 0.424 176.758 176.300 0.057 0.000 1.443 407 R CA -0.032 56.104 56.100 0.060 0.000 1.651 407 R CB 0.623 30.947 30.300 0.041 0.000 1.242 407 R HN 0.240 nan 8.270 nan 0.000 0.621 408 G N 2.165 111.030 108.800 0.108 0.000 2.412 408 G HA2 -0.331 3.630 3.960 0.000 0.000 0.297 408 G HA3 -0.331 3.630 3.960 0.000 0.000 0.297 408 G C 0.251 175.287 174.900 0.227 0.000 0.965 408 G CA 0.374 45.573 45.100 0.166 0.000 1.134 408 G HN 0.566 nan 8.290 nan 0.000 0.511 412 P HA 0.300 nan 4.420 nan 0.000 0.270 412 P C -1.314 175.996 177.300 0.016 0.000 1.223 412 P CA -0.050 63.052 63.100 0.004 0.000 0.785 412 P CB 0.922 32.621 31.700 -0.000 0.000 0.923 413 S N 1.370 117.088 115.700 0.030 0.000 2.503 413 S HA 0.701 5.171 4.470 0.000 0.000 0.301 413 S C -0.982 173.655 174.600 0.061 0.000 1.087 413 S CA -0.564 57.661 58.200 0.042 0.000 1.042 413 S CB 0.091 63.318 63.200 0.044 0.000 1.043 413 S HN 0.268 nan 8.310 nan 0.000 0.489 414 I N 3.266 123.875 120.570 0.064 0.000 2.498 414 I HA 0.867 5.037 4.170 0.000 0.000 0.290 414 I C 0.093 176.257 176.117 0.079 0.000 1.032 414 I CA 0.547 61.894 61.300 0.078 0.000 1.073 414 I CB 1.423 39.470 38.000 0.077 0.000 1.251 414 I HN 0.910 nan 8.210 nan 0.000 0.426 415 G N 5.546 114.398 108.800 0.088 0.000 2.341 415 G HA2 0.231 4.191 3.960 0.000 0.000 0.293 415 G HA3 0.231 4.191 3.960 0.000 0.000 0.293 415 G C -1.685 173.267 174.900 0.087 0.000 1.298 415 G CA -1.155 43.995 45.100 0.084 0.000 0.868 415 G HN 0.669 nan 8.290 nan 0.000 0.540 416 R N -0.563 119.987 120.500 0.084 0.000 2.459 416 R HA 0.664 5.004 4.340 0.000 0.000 0.281 416 R C -0.093 176.267 176.300 0.100 0.000 1.050 416 R CA -0.662 55.491 56.100 0.087 0.000 1.055 416 R CB 0.604 30.952 30.300 0.079 0.000 1.045 416 R HN 0.383 nan 8.270 nan 0.000 0.495 417 L N 4.545 125.833 121.223 0.108 0.000 2.268 417 L HA 0.168 4.508 4.340 0.000 0.000 0.289 417 L C 0.988 177.942 176.870 0.139 0.000 1.064 417 L CA -0.342 54.580 54.840 0.137 0.000 0.824 417 L CB 1.378 43.515 42.059 0.130 0.000 1.202 417 L HN 0.916 nan 8.230 nan 0.000 0.433 418 T N 1.596 116.230 114.554 0.132 0.000 2.612 418 T HA -0.126 4.224 4.350 0.000 0.000 0.259 418 T C 0.938 175.711 174.700 0.122 0.000 1.065 418 T CA 1.146 63.311 62.100 0.109 0.000 1.167 418 T CB -0.012 68.915 68.868 0.100 0.000 0.863 418 T HN 0.403 nan 8.240 nan 0.000 0.407 419 R N 0.336 120.922 120.500 0.143 0.000 2.445 419 R HA 0.420 4.760 4.340 0.000 0.000 0.308 419 R C -1.960 174.470 176.300 0.216 0.000 0.961 419 R CA -0.689 55.494 56.100 0.137 0.000 0.862 419 R CB 0.668 31.027 30.300 0.098 0.000 1.144 419 R HN 0.346 nan 8.270 nan 0.000 0.447 420 Y N 4.836 125.178 120.300 0.070 0.000 2.317 420 Y HA 0.432 4.982 4.550 -0.000 0.000 0.329 420 Y C -1.594 174.310 175.900 0.006 0.000 1.101 420 Y CA -0.751 57.403 58.100 0.090 0.000 1.228 420 Y CB 0.661 39.194 38.460 0.121 0.000 1.123 420 Y HN 0.553 nan 8.280 nan 0.000 0.457 421 R N 4.369 124.577 120.500 -0.488 0.000 2.744 421 R HA 0.483 4.823 4.340 0.000 0.000 0.279 421 R C -0.554 175.251 176.300 -0.826 0.000 0.977 421 R CA -0.149 55.658 56.100 -0.488 0.000 0.906 421 R CB 1.706 31.872 30.300 -0.223 0.000 1.197 421 R HN 0.982 nan 8.270 nan 0.000 0.463 429 V N 0.897 120.885 119.914 0.124 0.000 2.612 429 V HA 0.749 4.869 4.120 0.000 0.000 0.301 429 V C -0.241 175.890 176.094 0.062 0.000 1.059 429 V CA -0.394 61.957 62.300 0.084 0.000 0.886 429 V CB 1.784 33.636 31.823 0.049 0.000 1.007 429 V HN 1.094 nan 8.190 nan 0.000 0.426 430 R N 3.796 124.331 120.500 0.059 0.000 2.628 430 R HA 0.553 4.893 4.340 0.000 0.000 0.288 430 R C -1.228 175.097 176.300 0.042 0.000 0.980 430 R CA -0.572 55.550 56.100 0.037 0.000 0.891 430 R CB 1.880 32.193 30.300 0.022 0.000 1.188 430 R HN 0.808 nan 8.270 nan 0.000 0.450 431 N N 3.264 121.988 118.700 0.040 0.000 2.540 431 N HA 0.154 4.894 4.740 0.000 0.000 0.275 431 N C -1.659 173.890 175.510 0.065 0.000 1.053 431 N CA -0.543 52.550 53.050 0.072 0.000 0.876 431 N CB 1.395 39.928 38.487 0.076 0.000 1.284 431 N HN 0.557 nan 8.380 nan 0.000 0.518 432 D N 2.179 122.610 120.400 0.053 0.000 2.313 432 D HA 0.326 4.966 4.640 0.000 0.000 0.239 432 D C -0.495 175.843 176.300 0.063 0.000 1.142 432 D CA 0.459 54.484 54.000 0.041 0.000 0.847 432 D CB 1.602 42.411 40.800 0.016 0.000 1.082 432 D HN 0.271 nan 8.370 nan 0.000 0.480 433 T N 0.467 115.062 114.554 0.069 0.000 2.900 433 T HA 0.627 4.977 4.350 0.000 0.000 0.295 433 T C 0.975 175.674 174.700 -0.002 0.000 1.044 433 T CA -0.942 61.200 62.100 0.070 0.000 0.995 433 T CB 1.971 70.938 68.868 0.166 0.000 1.072 433 T HN 0.296 nan 8.240 nan 0.000 0.473 434 G N 0.491 109.257 108.800 -0.057 0.000 3.519 434 G HA2 0.488 4.448 3.960 0.000 0.000 0.269 434 G HA3 0.488 4.448 3.960 0.000 0.000 0.269 434 G C -0.128 174.651 174.900 -0.202 0.000 1.028 434 G CA -0.006 45.031 45.100 -0.105 0.000 0.809 434 G HN 0.569 nan 8.290 nan 0.000 0.521 435 V N 0.126 119.899 119.914 -0.234 0.000 3.155 435 V HA 0.892 5.012 4.120 0.000 0.000 0.313 435 V C -1.249 174.648 176.094 -0.328 0.000 1.162 435 V CA -0.913 61.148 62.300 -0.399 0.000 1.048 435 V CB 2.318 33.883 31.823 -0.431 0.000 1.092 435 V HN 0.369 nan 8.190 nan 0.000 0.447 436 Y N -0.341 119.784 120.300 -0.291 0.000 2.744 436 Y HA 0.618 5.168 4.550 0.000 0.000 0.330 436 Y C -0.579 175.279 175.900 -0.071 0.000 1.263 436 Y CA -2.306 55.720 58.100 -0.123 0.000 1.065 436 Y CB 0.647 39.093 38.460 -0.023 0.000 1.306 436 Y HN 0.683 nan 8.280 nan 0.000 0.459 437 E N 0.407 120.791 120.200 0.307 0.000 2.290 437 E HA 0.442 4.792 4.350 0.000 0.000 0.277 437 E C 0.742 177.364 176.600 0.038 0.000 1.035 437 E CA 0.947 57.469 56.400 0.204 0.000 0.873 437 E CB 0.025 29.822 29.700 0.162 0.000 1.029 437 E HN 1.112 nan 8.360 nan 0.000 0.419 438 G N 2.927 111.782 108.800 0.092 0.000 2.238 438 G HA2 -0.217 3.743 3.960 0.000 0.000 0.217 438 G HA3 -0.217 3.743 3.960 0.000 0.000 0.217 438 G C 0.519 175.513 174.900 0.156 0.000 0.996 438 G CA -0.246 44.874 45.100 0.033 0.000 0.632 438 G HN 0.859 nan 8.290 nan 0.000 0.503 439 G N -0.271 108.757 108.800 0.380 0.000 2.616 439 G HA2 0.537 4.497 3.960 0.000 0.000 0.268 439 G HA3 0.537 4.497 3.960 0.000 0.000 0.268 439 G C -0.318 174.669 174.900 0.145 0.000 1.213 439 G CA 0.571 45.907 45.100 0.394 0.000 0.926 439 G HN 0.563 nan 8.290 nan 0.000 0.523 440 E N -1.360 118.888 120.200 0.080 0.000 2.343 440 E HA 0.476 4.826 4.350 0.000 0.000 0.270 440 E C -0.887 175.746 176.600 0.054 0.000 0.895 440 E CA -0.760 55.682 56.400 0.070 0.000 0.767 440 E CB 1.979 31.727 29.700 0.080 0.000 1.248 440 E HN 0.278 nan 8.360 nan 0.000 0.440 441 I N 3.664 124.279 120.570 0.076 0.000 2.337 441 I HA 0.163 4.333 4.170 0.000 0.000 0.285 441 I C -0.159 176.044 176.117 0.142 0.000 1.041 441 I CA -0.397 60.960 61.300 0.095 0.000 1.199 441 I CB 1.005 39.057 38.000 0.087 0.000 1.370 441 I HN 0.420 nan 8.210 nan 0.000 0.470 442 S N 5.229 121.050 115.700 0.203 0.000 2.584 442 S HA 0.272 4.742 4.470 0.000 0.000 0.273 442 S C 1.127 175.919 174.600 0.321 0.000 1.311 442 S CA -0.884 57.485 58.200 0.281 0.000 1.034 442 S CB 1.339 64.737 63.200 0.331 0.000 0.939 442 S HN 0.718 nan 8.310 nan 0.000 0.513 443 M N -0.296 119.493 119.600 0.315 0.000 2.446 443 M HA 0.019 4.499 4.480 0.000 0.000 0.263 443 M C 0.258 176.561 176.300 0.005 0.000 1.066 443 M CA 1.310 56.688 55.300 0.130 0.000 1.087 443 M CB -1.025 31.588 32.600 0.022 0.000 1.406 443 M HN 0.683 nan 8.290 nan 0.000 0.459 444 Y N -0.253 120.021 120.300 -0.044 0.000 2.519 444 Y HA 0.254 4.804 4.550 0.000 0.000 0.311 444 Y C -0.404 175.030 175.900 -0.777 0.000 1.207 444 Y CA -0.296 57.596 58.100 -0.346 0.000 1.289 444 Y CB -1.023 37.205 38.460 -0.388 0.000 1.059 444 Y HN 0.210 nan 8.280 nan 0.000 0.507 445 Y N -2.462 117.945 120.300 0.179 0.000 2.905 445 Y HA 0.217 4.767 4.550 -0.000 0.000 0.322 445 Y C -0.665 175.281 175.900 0.077 0.000 1.455 445 Y CA -2.401 55.777 58.100 0.130 0.000 1.083 445 Y CB 0.272 38.801 38.460 0.116 0.000 1.473 445 Y HN -0.326 nan 8.280 nan 0.000 0.449 446 D N 3.213 123.768 120.400 0.259 0.000 2.371 446 D HA 0.174 4.814 4.640 0.000 0.000 0.256 446 D C -1.623 174.775 176.300 0.163 0.000 1.193 446 D CA -1.731 52.362 54.000 0.155 0.000 0.881 446 D CB 0.930 41.810 40.800 0.134 0.000 1.143 446 D HN 0.172 nan 8.370 nan 0.000 0.473 447 P HA -0.116 nan 4.420 nan 0.000 0.240 447 P C 0.281 177.777 177.300 0.326 0.000 1.186 447 P CA 0.332 63.523 63.100 0.152 0.000 0.755 447 P CB -0.126 31.596 31.700 0.037 0.000 0.870 448 M N 1.101 120.931 119.600 0.385 0.000 2.200 448 M HA 0.177 4.657 4.480 0.000 0.000 0.355 448 M C 1.334 177.695 176.300 0.103 0.000 1.283 448 M CA -0.106 55.380 55.300 0.309 0.000 1.124 448 M CB 0.661 33.382 32.600 0.202 0.000 1.625 448 M HN -0.119 nan 8.290 nan 0.000 0.463 449 I N 1.993 122.582 120.570 0.032 0.000 3.616 449 I HA 0.640 4.810 4.170 0.000 0.000 0.296 449 I C 0.120 176.249 176.117 0.020 0.000 1.226 449 I CA 0.148 61.453 61.300 0.008 0.000 1.394 449 I CB 0.490 38.509 38.000 0.031 0.000 1.171 449 I HN 0.677 nan 8.210 nan 0.000 0.442 450 A N 0.838 123.649 122.820 -0.015 0.000 2.586 450 A HA 0.656 4.976 4.320 0.000 0.000 0.291 450 A C -1.582 175.968 177.584 -0.057 0.000 1.062 450 A CA -0.740 51.319 52.037 0.036 0.000 0.666 450 A CB 1.104 20.240 19.000 0.227 0.000 1.281 450 A HN 0.151 nan 8.150 nan 0.000 0.421 451 K N 0.328 120.720 120.400 -0.014 0.000 2.358 451 K HA 0.574 4.894 4.320 0.000 0.000 0.260 451 K C -1.400 175.205 176.600 0.009 0.000 0.956 451 K CA -0.420 55.834 56.287 -0.054 0.000 0.834 451 K CB 1.850 34.316 32.500 -0.056 0.000 1.102 451 K HN 0.496 nan 8.250 nan 0.000 0.431 452 L N 5.233 126.456 121.223 0.000 0.000 2.297 452 L HA 0.385 4.725 4.340 0.000 0.000 0.277 452 L C -1.244 175.646 176.870 0.034 0.000 1.040 452 L CA -0.288 54.588 54.840 0.060 0.000 0.867 452 L CB 0.202 42.309 42.059 0.080 0.000 1.244 452 L HN 0.683 nan 8.230 nan 0.000 0.433 453 C N 2.374 121.697 119.300 0.039 0.000 2.365 453 C HA 0.948 5.408 4.460 0.000 0.000 0.349 453 C C 0.755 175.798 174.990 0.088 0.000 1.191 453 C CA -0.270 58.777 59.018 0.048 0.000 2.114 453 C CB 1.072 28.823 27.740 0.019 0.000 2.367 453 C HN 0.890 nan 8.230 nan 0.000 0.530 454 T N -0.855 113.775 114.554 0.126 0.000 2.804 454 T HA 0.856 5.206 4.350 0.000 0.000 0.290 454 T C -1.173 173.692 174.700 0.275 0.000 1.099 454 T CA -0.491 61.708 62.100 0.165 0.000 1.011 454 T CB 2.003 70.938 68.868 0.111 0.000 1.291 454 T HN 1.214 nan 8.240 nan 0.000 0.523 455 W N 0.454 121.785 121.300 0.053 0.000 2.986 455 W HA 0.647 5.307 4.660 -0.000 0.000 0.345 455 W C -2.240 174.320 176.519 0.068 0.000 1.191 455 W CA -0.506 56.879 57.345 0.068 0.000 1.170 455 W CB 0.663 30.144 29.460 0.036 0.000 1.438 455 W HN 1.388 nan 8.180 nan 0.000 0.567 456 A N 2.077 123.861 122.820 -1.726 0.000 2.775 456 A HA 0.656 4.976 4.320 0.000 0.000 0.305 456 A C -2.696 174.025 177.584 -1.438 0.000 1.082 456 A CA -0.151 50.971 52.037 -1.525 0.000 0.591 456 A CB 0.635 19.291 19.000 -0.573 0.000 1.472 456 A HN 0.293 nan 8.150 nan 0.000 0.636 457 P HA 0.083 nan 4.420 nan 0.000 0.209 457 P C 0.890 178.088 177.300 -0.170 0.000 1.201 457 P CA 2.128 65.018 63.100 -0.351 0.000 0.911 457 P CB -0.600 30.998 31.700 -0.170 0.000 0.758 458 T N -2.612 111.859 114.554 -0.137 0.000 2.868 458 T HA 0.217 4.567 4.350 0.000 0.000 0.292 458 T C 1.333 175.935 174.700 -0.163 0.000 1.028 458 T CA -0.560 61.477 62.100 -0.105 0.000 1.059 458 T CB 1.476 70.265 68.868 -0.132 0.000 0.991 458 T HN 0.003 nan 8.240 nan 0.000 0.531 459 R N 0.776 121.032 120.500 -0.406 0.000 2.073 459 R HA -0.001 4.339 4.340 0.000 0.000 0.229 459 R C 2.537 178.606 176.300 -0.385 0.000 1.120 459 R CA 1.189 56.904 56.100 -0.642 0.000 0.967 459 R CB -0.965 28.367 30.300 -1.614 0.000 0.862 459 R HN 0.844 nan 8.270 nan 0.000 0.436 460 A N 0.798 123.415 122.820 -0.339 0.000 2.024 460 A HA -0.136 4.184 4.320 0.000 0.000 0.220 460 A C 2.234 179.722 177.584 -0.161 0.000 1.164 460 A CA 1.682 53.579 52.037 -0.233 0.000 0.643 460 A CB -0.564 18.323 19.000 -0.189 0.000 0.806 460 A HN 0.563 nan 8.150 nan 0.000 0.451 461 A N -0.002 122.722 122.820 -0.161 0.000 1.832 461 A HA 0.202 4.522 4.320 0.000 0.000 0.214 461 A C 2.563 180.081 177.584 -0.110 0.000 1.200 461 A CA 2.056 54.011 52.037 -0.136 0.000 0.610 461 A CB -1.308 17.587 19.000 -0.175 0.000 0.842 461 A HN 1.134 nan 8.150 nan 0.000 0.444 462 A N -0.010 122.746 122.820 -0.107 0.000 1.917 462 A HA -0.145 4.175 4.320 0.000 0.000 0.219 462 A C 1.956 179.549 177.584 0.016 0.000 1.182 462 A CA 1.847 53.866 52.037 -0.031 0.000 0.633 462 A CB -0.651 18.387 19.000 0.064 0.000 0.819 462 A HN 0.455 nan 8.150 nan 0.000 0.448 463 I N -0.282 120.283 120.570 -0.008 0.000 2.361 463 I HA -0.183 3.987 4.170 0.000 0.000 0.251 463 I C 2.334 178.469 176.117 0.030 0.000 1.133 463 I CA 1.891 63.215 61.300 0.041 0.000 1.413 463 I CB -1.325 36.660 38.000 -0.025 0.000 1.073 463 I HN 0.430 nan 8.210 nan 0.000 0.424 464 E N 1.458 121.651 120.200 -0.013 0.000 2.051 464 E HA -0.052 4.298 4.350 0.000 0.000 0.189 464 E C 2.285 178.885 176.600 -0.000 0.000 0.979 464 E CA 1.475 57.868 56.400 -0.011 0.000 0.803 464 E CB -0.207 29.472 29.700 -0.034 0.000 0.761 464 E HN 0.318 nan 8.360 nan 0.000 0.451 465 A N 0.607 123.423 122.820 -0.007 0.000 1.927 465 A HA -0.270 4.050 4.320 0.000 0.000 0.220 465 A C 2.267 179.866 177.584 0.027 0.000 1.185 465 A CA 2.439 54.480 52.037 0.006 0.000 0.639 465 A CB -0.762 18.241 19.000 0.006 0.000 0.820 465 A HN 0.438 nan 8.150 nan 0.000 0.451 466 M N -1.026 118.597 119.600 0.039 0.000 2.067 466 M HA -0.113 4.367 4.480 0.000 0.000 0.260 466 M C 2.098 178.418 176.300 0.035 0.000 1.069 466 M CA 1.790 57.118 55.300 0.047 0.000 1.117 466 M CB -0.440 32.197 32.600 0.063 0.000 1.334 466 M HN 0.294 nan 8.290 nan 0.000 0.407 467 R N 0.577 121.097 120.500 0.032 0.000 2.103 467 R HA -0.114 4.226 4.340 0.000 0.000 0.242 467 R C 2.027 178.340 176.300 0.021 0.000 1.142 467 R CA 2.023 58.138 56.100 0.025 0.000 0.960 467 R CB -1.169 29.148 30.300 0.027 0.000 0.858 467 R HN 0.628 nan 8.270 nan 0.000 0.439 468 I N -0.084 120.497 120.570 0.018 0.000 2.163 468 I HA -0.205 3.965 4.170 0.000 0.000 0.240 468 I C 2.541 178.672 176.117 0.023 0.000 1.081 468 I CA 1.197 62.505 61.300 0.014 0.000 1.353 468 I CB -0.789 37.215 38.000 0.007 0.000 1.054 468 I HN 0.053 nan 8.210 nan 0.000 0.407 469 A N 1.925 124.764 122.820 0.031 0.000 1.881 469 A HA -0.256 4.064 4.320 0.000 0.000 0.219 469 A C 2.365 179.998 177.584 0.081 0.000 1.215 469 A CA 2.111 54.177 52.037 0.048 0.000 0.648 469 A CB -1.280 17.757 19.000 0.061 0.000 0.832 469 A HN 0.421 nan 8.150 nan 0.000 0.455 470 L N -0.735 120.534 121.223 0.075 0.000 2.013 470 L HA -0.254 4.086 4.340 0.000 0.000 0.212 470 L C 2.257 179.178 176.870 0.084 0.000 1.073 470 L CA 1.739 56.628 54.840 0.081 0.000 0.753 470 L CB -0.882 41.186 42.059 0.015 0.000 0.890 470 L HN 0.403 nan 8.230 nan 0.000 0.432 471 D N -0.357 120.073 120.400 0.050 0.000 2.239 471 D HA -0.163 4.477 4.640 0.000 0.000 0.202 471 D C 2.041 178.365 176.300 0.039 0.000 0.993 471 D CA 1.640 55.663 54.000 0.038 0.000 0.874 471 D CB 0.094 40.904 40.800 0.017 0.000 0.922 471 D HN 0.322 nan 8.370 nan 0.000 0.464 472 S N -0.764 114.961 115.700 0.042 0.000 2.511 472 S HA 0.079 4.549 4.470 0.000 0.000 0.214 472 S C 0.523 175.129 174.600 0.009 0.000 0.997 472 S CA -0.603 57.603 58.200 0.010 0.000 0.908 472 S CB 0.420 63.605 63.200 -0.024 0.000 0.803 472 S HN 0.182 nan 8.310 nan 0.000 0.504 473 F N 3.728 123.626 119.950 -0.086 0.000 2.533 473 F HA 0.089 4.616 4.527 0.000 0.000 0.378 473 F C 0.407 176.123 175.800 -0.140 0.000 1.070 473 F CA -0.088 57.828 58.000 -0.140 0.000 1.172 473 F CB 0.330 39.245 39.000 -0.141 0.000 1.085 473 F HN 0.071 nan 8.300 nan 0.000 0.552 474 E N 4.988 125.250 120.200 0.103 0.000 2.156 474 E HA 0.464 4.814 4.350 0.000 0.000 0.279 474 E C -1.119 175.551 176.600 0.117 0.000 0.965 474 E CA -0.765 55.684 56.400 0.080 0.000 0.789 474 E CB 2.473 32.172 29.700 -0.001 0.000 1.098 474 E HN 0.284 nan 8.360 nan 0.000 0.397 475 V N 3.696 123.670 119.914 0.099 0.000 2.668 475 V HA 0.272 4.392 4.120 0.000 0.000 0.304 475 V C -0.712 175.518 176.094 0.226 0.000 1.071 475 V CA -0.737 61.636 62.300 0.120 0.000 0.894 475 V CB 1.962 33.669 31.823 -0.193 0.000 1.008 475 V HN 0.601 nan 8.190 nan 0.000 0.425 476 E N 2.405 122.742 120.200 0.229 0.000 2.314 476 E HA 0.722 5.072 4.350 0.000 0.000 0.272 476 E C 0.638 177.349 176.600 0.185 0.000 0.884 476 E CA 0.166 56.691 56.400 0.208 0.000 0.753 476 E CB 2.096 31.888 29.700 0.154 0.000 1.213 476 E HN 0.900 nan 8.360 nan 0.000 0.432 477 G N 1.778 110.673 108.800 0.159 0.000 2.352 477 G HA2 -0.178 3.782 3.960 0.000 0.000 0.204 477 G HA3 -0.178 3.782 3.960 0.000 0.000 0.204 477 G C 0.235 175.209 174.900 0.123 0.000 1.004 477 G CA 0.133 45.309 45.100 0.128 0.000 0.648 477 G HN 0.499 nan 8.290 nan 0.000 0.491 478 I N -1.351 119.313 120.570 0.158 0.000 3.239 478 I HA 0.870 5.040 4.170 0.000 0.000 0.314 478 I C 0.467 176.653 176.117 0.115 0.000 1.126 478 I CA -1.100 60.280 61.300 0.133 0.000 0.973 478 I CB 1.763 39.854 38.000 0.151 0.000 1.252 478 I HN 0.255 nan 8.210 nan 0.000 0.463 479 G N 1.405 110.233 108.800 0.047 0.000 2.377 479 G HA2 0.616 4.576 3.960 0.000 0.000 0.299 479 G HA3 0.616 4.576 3.960 0.000 0.000 0.299 479 G C -0.774 174.108 174.900 -0.030 0.000 1.150 479 G CA -0.262 44.800 45.100 -0.063 0.000 0.847 479 G HN 1.011 nan 8.290 nan 0.000 0.501 480 H N 0.169 119.231 119.070 -0.013 0.000 3.008 480 H HA 0.269 4.825 4.556 0.000 0.000 0.354 480 H C -0.368 174.884 175.328 -0.126 0.000 1.252 480 H CA -0.890 55.129 56.048 -0.048 0.000 1.117 480 H CB 1.588 31.338 29.762 -0.020 0.000 1.857 480 H HN 0.457 nan 8.280 nan 0.000 0.547 481 N N 1.047 119.773 118.700 0.044 0.000 2.370 481 N HA -0.043 4.697 4.740 0.000 0.000 0.198 481 N C 1.084 176.607 175.510 0.022 0.000 1.156 481 N CA -0.212 52.799 53.050 -0.066 0.000 0.839 481 N CB 0.008 38.507 38.487 0.019 0.000 0.989 481 N HN 0.471 nan 8.380 nan 0.000 0.468 482 L N 1.486 122.811 121.223 0.169 0.000 2.021 482 L HA -0.099 4.241 4.340 0.000 0.000 0.215 482 L C -0.508 176.369 176.870 0.012 0.000 1.074 482 L CA 2.146 57.010 54.840 0.039 0.000 0.760 482 L CB -1.180 40.886 42.059 0.011 0.000 0.889 482 L HN 0.174 nan 8.230 nan 0.000 0.433 483 P HA -0.232 nan 4.420 nan 0.000 0.216 483 P C 1.836 179.008 177.300 -0.214 0.000 1.153 483 P CA 1.428 64.566 63.100 0.064 0.000 0.848 483 P CB -0.296 31.573 31.700 0.281 0.000 0.787 484 F N 1.522 121.059 119.950 -0.689 0.000 2.069 484 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 484 F C 2.283 177.739 175.800 -0.573 0.000 1.113 484 F CA 1.428 58.750 58.000 -1.129 0.000 1.214 484 F CB -1.317 37.150 39.000 -0.888 0.000 0.978 484 F HN -0.302 nan 8.300 nan 0.000 0.474 485 L N -0.461 120.485 121.223 -0.462 0.000 1.971 485 L HA -0.310 4.030 4.340 0.000 0.000 0.215 485 L C 2.596 179.233 176.870 -0.387 0.000 1.072 485 L CA 1.810 56.373 54.840 -0.463 0.000 0.758 485 L CB -1.437 40.480 42.059 -0.236 0.000 0.889 485 L HN 0.103 nan 8.230 nan 0.000 0.433 486 S N -0.127 115.438 115.700 -0.225 0.000 2.389 486 S HA -0.313 4.157 4.470 0.000 0.000 0.231 486 S C 2.151 176.682 174.600 -0.115 0.000 1.052 486 S CA 1.530 59.659 58.200 -0.118 0.000 1.053 486 S CB -0.482 62.700 63.200 -0.030 0.000 0.886 486 S HN 0.539 nan 8.310 nan 0.000 0.456 487 A N 1.054 123.763 122.820 -0.184 0.000 1.873 487 A HA -0.124 4.196 4.320 0.000 0.000 0.218 487 A C 2.489 180.069 177.584 -0.008 0.000 1.193 487 A CA 2.085 54.085 52.037 -0.061 0.000 0.629 487 A CB -1.188 17.740 19.000 -0.121 0.000 0.826 487 A HN 0.646 nan 8.150 nan 0.000 0.447 488 V N -1.875 117.897 119.914 -0.237 0.000 2.427 488 V HA -0.211 3.909 4.120 0.000 0.000 0.248 488 V C 2.163 178.213 176.094 -0.074 0.000 1.051 488 V CA 2.244 64.495 62.300 -0.081 0.000 1.048 488 V CB -0.738 30.858 31.823 -0.379 0.000 0.666 488 V HN 0.443 nan 8.190 nan 0.000 0.456 489 M N 0.657 120.148 119.600 -0.182 0.000 2.260 489 M HA -0.140 4.340 4.480 0.000 0.000 0.261 489 M C 1.578 178.009 176.300 0.218 0.000 1.066 489 M CA 1.876 57.187 55.300 0.018 0.000 1.082 489 M CB -1.388 31.210 32.600 -0.004 0.000 1.388 489 M HN 0.472 nan 8.290 nan 0.000 0.419 490 D N -1.590 118.902 120.400 0.152 0.000 2.354 490 D HA -0.015 4.625 4.640 0.000 0.000 0.209 490 D C 0.700 177.125 176.300 0.209 0.000 1.015 490 D CA 0.284 54.376 54.000 0.154 0.000 0.867 490 D CB -0.160 40.701 40.800 0.102 0.000 0.933 490 D HN 0.217 nan 8.370 nan 0.000 0.520 491 H N 2.351 121.535 119.070 0.191 0.000 3.026 491 H HA 0.011 4.567 4.556 0.000 0.000 0.289 491 H C -1.447 174.020 175.328 0.232 0.000 1.022 491 H CA -1.469 54.716 56.048 0.228 0.000 1.477 491 H CB 1.183 31.154 29.762 0.348 0.000 1.510 491 H HN -0.040 nan 8.280 nan 0.000 0.535 492 P HA -0.259 nan 4.420 nan 0.000 0.217 492 P C 1.285 178.794 177.300 0.350 0.000 1.158 492 P CA 1.616 64.872 63.100 0.261 0.000 0.887 492 P CB 0.394 32.163 31.700 0.114 0.000 0.792 493 K N -1.445 119.313 120.400 0.596 0.000 2.152 493 K HA -0.158 4.162 4.320 0.000 0.000 0.206 493 K C 2.193 178.915 176.600 0.203 0.000 1.048 493 K CA 1.190 57.688 56.287 0.352 0.000 0.933 493 K CB -0.550 32.189 32.500 0.399 0.000 0.721 493 K HN 0.177 nan 8.250 nan 0.000 0.447 494 F N 1.225 121.210 119.950 0.058 0.000 2.206 494 F HA -0.114 4.413 4.527 0.000 0.000 0.298 494 F C 1.798 177.552 175.800 -0.076 0.000 1.090 494 F CA 0.925 58.840 58.000 -0.142 0.000 1.323 494 F CB 0.057 38.973 39.000 -0.139 0.000 1.028 494 F HN -0.119 nan 8.300 nan 0.000 0.492 495 I N 0.346 120.862 120.570 -0.090 0.000 2.179 495 I HA -0.303 3.867 4.170 0.000 0.000 0.242 495 I C 2.613 178.597 176.117 -0.222 0.000 1.088 495 I CA 1.559 62.733 61.300 -0.209 0.000 1.357 495 I CB -0.908 37.078 38.000 -0.024 0.000 1.051 495 I HN 0.263 nan 8.210 nan 0.000 0.409 496 S N 0.416 116.058 115.700 -0.097 0.000 2.453 496 S HA 0.062 4.532 4.470 0.000 0.000 0.231 496 S C 1.852 176.389 174.600 -0.106 0.000 1.005 496 S CA 0.701 58.854 58.200 -0.077 0.000 0.949 496 S CB 0.000 63.200 63.200 -0.001 0.000 0.774 496 S HN 0.677 nan 8.310 nan 0.000 0.510 497 G N 1.060 109.768 108.800 -0.154 0.000 2.225 497 G HA2 -0.290 3.670 3.960 0.000 0.000 0.254 497 G HA3 -0.290 3.670 3.960 0.000 0.000 0.254 497 G C -0.105 174.774 174.900 -0.035 0.000 0.988 497 G CA 0.185 45.202 45.100 -0.138 0.000 0.625 497 G HN 0.680 nan 8.290 nan 0.000 0.527 498 D N 1.748 122.151 120.400 0.004 0.000 2.416 498 D HA 0.511 5.151 4.640 0.000 0.000 0.240 498 D C 0.973 177.299 176.300 0.043 0.000 1.250 498 D CA 0.260 54.282 54.000 0.036 0.000 0.967 498 D CB -0.505 40.332 40.800 0.062 0.000 1.059 498 D HN 0.625 nan 8.370 nan 0.000 0.512 499 M N 0.941 120.539 119.600 -0.004 0.000 2.531 499 M HA 0.577 5.057 4.480 0.000 0.000 0.286 499 M C -0.625 175.676 176.300 0.002 0.000 1.232 499 M CA -0.868 54.445 55.300 0.021 0.000 0.877 499 M CB 2.111 34.620 32.600 -0.151 0.000 1.726 499 M HN 0.096 nan 8.290 nan 0.000 0.463 500 T N -2.779 111.824 114.554 0.082 0.000 2.718 500 T HA 0.534 4.884 4.350 0.000 0.000 0.267 500 T C 0.885 175.635 174.700 0.083 0.000 0.957 500 T CA 0.131 62.260 62.100 0.047 0.000 1.025 500 T CB 1.062 69.963 68.868 0.055 0.000 1.355 500 T HN 0.825 nan 8.240 nan 0.000 0.572 501 T N -2.679 111.921 114.554 0.076 0.000 3.107 501 T HA 0.428 4.778 4.350 0.000 0.000 0.249 501 T C 1.534 176.291 174.700 0.096 0.000 1.096 501 T CA 0.212 62.364 62.100 0.086 0.000 1.012 501 T CB -0.310 68.609 68.868 0.085 0.000 0.977 501 T HN 0.775 nan 8.240 nan 0.000 0.527 502 A N 0.048 122.930 122.820 0.103 0.000 2.343 502 A HA 0.459 4.779 4.320 0.000 0.000 0.223 502 A C 1.408 179.055 177.584 0.105 0.000 1.214 502 A CA -0.443 51.642 52.037 0.081 0.000 0.900 502 A CB -0.770 18.258 19.000 0.046 0.000 0.942 502 A HN 0.445 nan 8.150 nan 0.000 0.507 503 F N 0.894 120.845 119.950 0.001 0.000 2.048 503 F HA -0.348 4.179 4.527 -0.000 0.000 0.296 503 F C 1.756 177.575 175.800 0.031 0.000 1.109 503 F CA 2.492 60.486 58.000 -0.011 0.000 1.214 503 F CB -0.256 38.728 39.000 -0.027 0.000 0.963 503 F HN 0.265 nan 8.300 nan 0.000 0.491 504 I N 0.925 121.683 120.570 0.313 0.000 2.151 504 I HA -0.269 3.901 4.170 0.000 0.000 0.243 504 I C 2.428 178.609 176.117 0.106 0.000 1.080 504 I CA 1.909 63.374 61.300 0.274 0.000 1.339 504 I CB -1.264 36.890 38.000 0.257 0.000 1.039 504 I HN 0.275 nan 8.210 nan 0.000 0.409 505 A N -0.555 122.293 122.820 0.047 0.000 1.930 505 A HA -0.203 4.117 4.320 0.000 0.000 0.217 505 A C 2.251 179.816 177.584 -0.031 0.000 1.175 505 A CA 1.828 53.871 52.037 0.010 0.000 0.627 505 A CB -0.717 18.287 19.000 0.008 0.000 0.815 505 A HN 0.588 nan 8.150 nan 0.000 0.443 506 E N -0.439 119.710 120.200 -0.085 0.000 2.028 506 E HA -0.136 4.214 4.350 0.000 0.000 0.190 506 E C 1.892 178.372 176.600 -0.201 0.000 0.984 506 E CA 1.134 57.461 56.400 -0.123 0.000 0.800 506 E CB -0.083 29.544 29.700 -0.121 0.000 0.758 506 E HN 0.511 nan 8.360 nan 0.000 0.448 507 E N -0.210 119.750 120.200 -0.399 0.000 2.285 507 E HA -0.087 4.263 4.350 0.000 0.000 0.194 507 E C 0.174 176.381 176.600 -0.654 0.000 0.997 507 E CA 0.838 56.893 56.400 -0.575 0.000 0.845 507 E CB 0.113 29.227 29.700 -0.977 0.000 0.782 507 E HN 0.410 nan 8.360 nan 0.000 0.491 508 Y N 0.692 120.970 120.300 -0.037 0.000 2.480 508 Y HA 0.199 4.749 4.550 0.000 0.000 0.356 508 Y C -1.527 174.388 175.900 0.025 0.000 0.922 508 Y CA -1.598 56.542 58.100 0.067 0.000 1.146 508 Y CB 1.126 39.690 38.460 0.173 0.000 1.185 508 Y HN -0.017 nan 8.280 nan 0.000 0.624 509 P HA -0.139 nan 4.420 nan 0.000 0.221 509 P C 0.360 177.698 177.300 0.063 0.000 1.150 509 P CA 1.456 64.583 63.100 0.046 0.000 0.800 509 P CB 0.622 32.328 31.700 0.011 0.000 0.787 510 E N 0.091 120.350 120.200 0.099 0.000 2.496 510 E HA 0.324 4.674 4.350 0.000 0.000 0.200 510 E C 1.206 177.888 176.600 0.136 0.000 1.016 510 E CA 0.061 56.519 56.400 0.096 0.000 0.962 510 E CB 0.105 29.855 29.700 0.082 0.000 1.071 510 E HN 0.242 nan 8.360 nan 0.000 0.457 511 G N 1.909 110.807 108.800 0.163 0.000 2.693 511 G HA2 -0.302 3.658 3.960 0.000 0.000 0.226 511 G HA3 -0.302 3.658 3.960 0.000 0.000 0.226 511 G C -0.709 174.397 174.900 0.344 0.000 1.354 511 G CA -0.462 44.756 45.100 0.196 0.000 0.873 511 G HN 0.241 nan 8.290 nan 0.000 0.562 512 F N 2.535 122.572 119.950 0.144 0.000 2.423 512 F HA 0.499 5.026 4.527 -0.000 0.000 0.356 512 F C 1.457 177.364 175.800 0.179 0.000 1.170 512 F CA -0.777 57.310 58.000 0.145 0.000 1.163 512 F CB 0.036 39.010 39.000 -0.044 0.000 1.318 512 F HN 0.455 nan 8.300 nan 0.000 0.569 513 E N 4.406 124.663 120.200 0.095 0.000 2.405 513 E HA 0.199 4.549 4.350 0.000 0.000 0.194 513 E C 1.151 177.564 176.600 -0.312 0.000 1.149 513 E CA 0.356 56.712 56.400 -0.073 0.000 0.933 513 E CB -0.548 29.190 29.700 0.064 0.000 1.028 513 E HN 0.945 nan 8.360 nan 0.000 0.487 514 G N 0.137 108.317 108.800 -1.035 0.000 2.846 514 G HA2 -0.254 3.706 3.960 0.000 0.000 0.660 514 G HA3 -0.254 3.706 3.960 0.000 0.000 0.660 514 G C -0.412 174.340 174.900 -0.247 0.000 1.464 514 G CA -0.606 44.024 45.100 -0.784 0.000 0.891 514 G HN 0.128 nan 8.290 nan 0.000 0.552 515 V N 2.260 122.198 119.914 0.040 0.000 2.680 515 V HA 0.762 4.882 4.120 0.000 0.000 0.309 515 V C -0.066 176.090 176.094 0.102 0.000 1.052 515 V CA -0.377 62.027 62.300 0.174 0.000 0.908 515 V CB 1.978 33.976 31.823 0.292 0.000 1.001 515 V HN 1.278 nan 8.190 nan 0.000 0.431 516 N N 4.445 123.195 118.700 0.084 0.000 2.352 516 N HA 0.321 5.061 4.740 0.000 0.000 0.291 516 N C -1.269 174.276 175.510 0.058 0.000 1.040 516 N CA -0.676 52.411 53.050 0.061 0.000 0.864 516 N CB 1.813 40.327 38.487 0.044 0.000 1.440 516 N HN 0.327 nan 8.380 nan 0.000 0.483 517 L N 1.603 122.858 121.223 0.054 0.000 2.483 517 L HA 0.344 4.684 4.340 0.000 0.000 0.276 517 L C -1.958 174.939 176.870 0.045 0.000 1.213 517 L CA -1.045 53.822 54.840 0.044 0.000 0.843 517 L CB -0.780 41.299 42.059 0.033 0.000 1.107 517 L HN 0.434 nan 8.230 nan 0.000 0.487 518 P HA 0.209 nan 4.420 nan 0.000 0.282 518 P C 0.519 177.842 177.300 0.039 0.000 1.249 518 P CA -0.537 62.584 63.100 0.034 0.000 0.806 518 P CB 1.097 32.808 31.700 0.019 0.000 0.984 519 E N 2.212 122.447 120.200 0.059 0.000 2.160 519 E HA -0.333 4.017 4.350 0.000 0.000 0.237 519 E C 1.349 177.964 176.600 0.025 0.000 1.069 519 E CA 3.353 59.805 56.400 0.086 0.000 0.950 519 E CB -1.402 28.341 29.700 0.072 0.000 0.832 519 E HN 0.573 nan 8.360 nan 0.000 0.496 520 T N -1.305 113.242 114.554 -0.012 0.000 2.896 520 T HA -0.191 4.159 4.350 0.000 0.000 0.270 520 T C 1.232 175.895 174.700 -0.062 0.000 1.104 520 T CA 1.504 63.571 62.100 -0.055 0.000 1.115 520 T CB -0.274 68.566 68.868 -0.046 0.000 0.843 520 T HN 0.160 nan 8.240 nan 0.000 0.523 521 D N 0.750 121.128 120.400 -0.037 0.000 2.290 521 D HA 0.214 4.854 4.640 0.000 0.000 0.224 521 D C 2.252 178.511 176.300 -0.068 0.000 0.967 521 D CA 0.270 54.246 54.000 -0.040 0.000 0.893 521 D CB -0.282 40.511 40.800 -0.012 0.000 1.037 521 D HN 0.291 nan 8.370 nan 0.000 0.477 522 L N 0.760 121.952 121.223 -0.053 0.000 1.978 522 L HA -0.233 4.107 4.340 0.000 0.000 0.218 522 L C 2.661 179.343 176.870 -0.313 0.000 1.075 522 L CA 1.399 56.174 54.840 -0.109 0.000 0.767 522 L CB -0.424 41.659 42.059 0.040 0.000 0.890 522 L HN 0.012 nan 8.230 nan 0.000 0.434 523 R N -0.337 119.950 120.500 -0.356 0.000 2.136 523 R HA -0.246 4.094 4.340 0.000 0.000 0.242 523 R C 2.470 178.681 176.300 -0.149 0.000 1.131 523 R CA 2.101 57.961 56.100 -0.401 0.000 0.937 523 R CB -0.284 29.795 30.300 -0.369 0.000 0.863 523 R HN 0.269 nan 8.270 nan 0.000 0.435 524 R N -0.392 120.039 120.500 -0.115 0.000 2.083 524 R HA -0.132 4.208 4.340 0.000 0.000 0.237 524 R C 2.311 178.577 176.300 -0.056 0.000 1.137 524 R CA 1.609 57.679 56.100 -0.049 0.000 0.951 524 R CB -0.431 29.835 30.300 -0.056 0.000 0.851 524 R HN 0.092 nan 8.270 nan 0.000 0.434 525 V N 0.773 120.629 119.914 -0.096 0.000 2.255 525 V HA -0.302 3.818 4.120 0.000 0.000 0.247 525 V C 2.382 178.408 176.094 -0.114 0.000 1.051 525 V CA 2.031 64.266 62.300 -0.108 0.000 1.018 525 V CB -0.804 30.959 31.823 -0.100 0.000 0.641 525 V HN 0.501 nan 8.190 nan 0.000 0.445 526 A N 0.028 122.754 122.820 -0.157 0.000 1.881 526 A HA -0.316 4.004 4.320 0.000 0.000 0.219 526 A C 2.455 179.982 177.584 -0.095 0.000 1.215 526 A CA 3.064 55.012 52.037 -0.149 0.000 0.648 526 A CB -1.235 17.565 19.000 -0.334 0.000 0.832 526 A HN 0.685 nan 8.150 nan 0.000 0.455 527 A N -0.425 122.374 122.820 -0.034 0.000 1.884 527 A HA 0.002 4.322 4.320 0.000 0.000 0.219 527 A C 2.603 180.147 177.584 -0.067 0.000 1.197 527 A CA 3.134 55.145 52.037 -0.042 0.000 0.637 527 A CB -1.377 17.697 19.000 0.124 0.000 0.827 527 A HN 1.389 nan 8.150 nan 0.000 0.450 528 A N -0.333 122.443 122.820 -0.074 0.000 1.859 528 A HA 0.037 4.357 4.320 0.000 0.000 0.217 528 A C 2.602 180.090 177.584 -0.161 0.000 1.198 528 A CA 2.967 54.929 52.037 -0.125 0.000 0.629 528 A CB -1.355 17.549 19.000 -0.160 0.000 0.830 528 A HN 1.323 nan 8.150 nan 0.000 0.446 529 A N -0.340 122.390 122.820 -0.150 0.000 1.892 529 A HA 0.067 4.387 4.320 0.000 0.000 0.218 529 A C 2.567 180.205 177.584 0.090 0.000 1.188 529 A CA 2.693 54.702 52.037 -0.047 0.000 0.631 529 A CB -1.238 17.811 19.000 0.082 0.000 0.822 529 A HN 1.272 nan 8.150 nan 0.000 0.447 530 A N -0.282 122.526 122.820 -0.020 0.000 1.908 530 A HA 0.093 4.413 4.320 0.000 0.000 0.218 530 A C 2.528 180.040 177.584 -0.120 0.000 1.181 530 A CA 2.416 54.388 52.037 -0.109 0.000 0.627 530 A CB -1.090 17.830 19.000 -0.134 0.000 0.818 530 A HN 1.146 nan 8.150 nan 0.000 0.445 531 A N -0.162 122.610 122.820 -0.080 0.000 1.858 531 A HA -0.152 4.168 4.320 0.000 0.000 0.216 531 A C 2.293 179.871 177.584 -0.011 0.000 1.190 531 A CA 1.978 53.980 52.037 -0.058 0.000 0.617 531 A CB -0.638 18.336 19.000 -0.043 0.000 0.827 531 A HN 0.578 nan 8.150 nan 0.000 0.443 532 M N -1.475 118.131 119.600 0.009 0.000 2.067 532 M HA -0.173 4.307 4.480 0.000 0.000 0.260 532 M C 2.353 178.810 176.300 0.260 0.000 1.069 532 M CA 1.937 57.304 55.300 0.112 0.000 1.117 532 M CB -1.005 31.474 32.600 -0.202 0.000 1.334 532 M HN 0.628 nan 8.290 nan 0.000 0.407 533 H N 1.283 120.473 119.070 0.201 0.000 2.321 533 H HA -0.193 4.363 4.556 0.000 0.000 0.295 533 H C 2.239 177.453 175.328 -0.190 0.000 1.102 533 H CA 2.266 58.301 56.048 -0.023 0.000 1.266 533 H CB -0.225 29.385 29.762 -0.252 0.000 1.363 533 H HN 0.338 nan 8.280 nan 0.000 0.492 534 R N 0.399 120.782 120.500 -0.194 0.000 2.080 534 R HA -0.125 4.215 4.340 0.000 0.000 0.236 534 R C 2.543 178.775 176.300 -0.114 0.000 1.137 534 R CA 1.800 57.760 56.100 -0.233 0.000 0.943 534 R CB -0.483 29.706 30.300 -0.184 0.000 0.846 534 R HN 0.202 nan 8.270 nan 0.000 0.431 535 V N 1.211 121.108 119.914 -0.027 0.000 2.250 535 V HA -0.349 3.771 4.120 0.000 0.000 0.253 535 V C 2.542 178.632 176.094 -0.007 0.000 1.065 535 V CA 2.306 64.618 62.300 0.020 0.000 1.039 535 V CB -0.860 31.032 31.823 0.115 0.000 0.647 535 V HN 0.641 nan 8.190 nan 0.000 0.446 536 A N -1.012 121.805 122.820 -0.004 0.000 1.930 536 A HA -0.206 4.114 4.320 0.000 0.000 0.217 536 A C 2.134 179.644 177.584 -0.123 0.000 1.175 536 A CA 1.802 53.814 52.037 -0.042 0.000 0.627 536 A CB -0.494 18.505 19.000 -0.001 0.000 0.815 536 A HN 0.537 nan 8.150 nan 0.000 0.443 537 E N 0.154 120.219 120.200 -0.224 0.000 2.110 537 E HA -0.098 4.252 4.350 0.000 0.000 0.193 537 E C 1.686 178.253 176.600 -0.055 0.000 0.988 537 E CA 0.991 57.282 56.400 -0.182 0.000 0.804 537 E CB -0.347 29.216 29.700 -0.228 0.000 0.745 537 E HN 0.654 nan 8.360 nan 0.000 0.458 538 I N 0.175 120.722 120.570 -0.039 0.000 2.226 538 I HA -0.250 3.920 4.170 0.000 0.000 0.245 538 I C 2.618 178.730 176.117 -0.008 0.000 1.100 538 I CA 0.841 62.139 61.300 -0.004 0.000 1.374 538 I CB -0.206 37.793 38.000 -0.002 0.000 1.057 538 I HN 0.076 nan 8.210 nan 0.000 0.413 539 R N 1.458 121.944 120.500 -0.023 0.000 2.105 539 R HA -0.156 4.184 4.340 0.000 0.000 0.239 539 R C 2.233 178.524 176.300 -0.017 0.000 1.135 539 R CA 1.389 57.476 56.100 -0.022 0.000 0.967 539 R CB -0.249 30.031 30.300 -0.033 0.000 0.861 539 R HN 0.372 nan 8.270 nan 0.000 0.442 540 R N -0.636 119.853 120.500 -0.020 0.000 2.127 540 R HA -0.069 4.271 4.340 0.000 0.000 0.238 540 R C 2.019 178.322 176.300 0.004 0.000 1.134 540 R CA 1.753 57.848 56.100 -0.010 0.000 0.975 540 R CB -0.652 29.642 30.300 -0.010 0.000 0.865 540 R HN 0.224 nan 8.270 nan 0.000 0.447 541 T N 1.504 116.063 114.554 0.009 0.000 2.867 541 T HA -0.039 4.311 4.350 0.000 0.000 0.268 541 T C 1.396 176.105 174.700 0.015 0.000 1.057 541 T CA 0.906 63.017 62.100 0.019 0.000 1.136 541 T CB -0.053 68.830 68.868 0.025 0.000 0.874 541 T HN 0.235 nan 8.240 nan 0.000 0.466 542 R N 1.753 122.257 120.500 0.008 0.000 2.541 542 R HA 0.232 4.572 4.340 0.000 0.000 0.245 542 R C 0.035 176.338 176.300 0.005 0.000 1.154 542 R CA -0.068 56.035 56.100 0.006 0.000 1.179 542 R CB -0.996 29.305 30.300 0.001 0.000 1.189 542 R HN 0.277 nan 8.270 nan 0.000 0.526 543 V N 2.210 122.128 119.914 0.007 0.000 2.843 543 V HA -0.047 4.073 4.120 0.000 0.000 0.305 543 V C 1.174 177.272 176.094 0.007 0.000 1.065 543 V CA -0.015 62.288 62.300 0.005 0.000 1.116 543 V CB 1.276 33.103 31.823 0.007 0.000 0.968 543 V HN 0.424 nan 8.190 nan 0.000 0.487 544 S N 2.623 118.326 115.700 0.005 0.000 2.614 544 S HA 0.550 5.020 4.470 0.000 0.000 0.265 544 S C 1.069 175.674 174.600 0.008 0.000 1.303 544 S CA 0.069 58.272 58.200 0.006 0.000 1.000 544 S CB 1.190 64.392 63.200 0.004 0.000 0.935 544 S HN 2.222 nan 8.310 nan 0.000 0.551 545 G N 0.963 109.769 108.800 0.010 0.000 2.141 545 G HA2 -0.237 3.723 3.960 0.000 0.000 0.242 545 G HA3 -0.237 3.723 3.960 0.000 0.000 0.242 545 G C 0.041 174.949 174.900 0.014 0.000 0.982 545 G CA 0.070 45.176 45.100 0.010 0.000 0.662 545 G HN 1.077 nan 8.290 nan 0.000 0.527 546 R N -0.272 120.239 120.500 0.019 0.000 2.531 546 R HA 0.669 5.009 4.340 0.000 0.000 0.273 546 R C 0.791 177.112 176.300 0.035 0.000 1.070 546 R CA -0.945 55.171 56.100 0.026 0.000 1.112 546 R CB 0.662 30.981 30.300 0.031 0.000 1.049 546 R HN 0.193 nan 8.270 nan 0.000 0.508 547 M N 2.603 122.230 119.600 0.044 0.000 2.290 547 M HA -0.075 4.405 4.480 0.000 0.000 0.356 547 M C 0.593 176.950 176.300 0.095 0.000 1.448 547 M CA 0.946 56.282 55.300 0.060 0.000 0.993 547 M CB 0.000 32.636 32.600 0.060 0.000 1.934 547 M HN 0.681 nan 8.290 nan 0.000 0.461 551 H N 0.632 119.706 119.070 0.007 0.000 2.624 551 H HA 0.167 4.723 4.556 0.000 0.000 0.233 551 H C -0.042 175.292 175.328 0.009 0.000 1.376 551 H CA -0.425 55.627 56.048 0.007 0.000 1.137 551 H CB 0.434 30.199 29.762 0.006 0.000 1.867 551 H HN 0.079 nan 8.280 nan 0.000 0.547 552 E N 0.399 120.644 120.200 0.075 0.000 2.416 552 E HA 0.051 4.401 4.350 0.000 0.000 0.254 552 E C 0.554 177.186 176.600 0.054 0.000 1.241 552 E CA -0.624 55.810 56.400 0.057 0.000 0.969 552 E CB 1.312 31.033 29.700 0.035 0.000 0.999 552 E HN 0.382 nan 8.360 nan 0.000 0.481 553 R N 0.309 120.838 120.500 0.048 0.000 2.490 553 R HA 0.189 4.529 4.340 0.000 0.000 0.280 553 R C -0.427 175.900 176.300 0.046 0.000 1.077 553 R CA -0.299 55.830 56.100 0.048 0.000 1.065 553 R CB 0.566 30.896 30.300 0.049 0.000 1.003 553 R HN 0.556 nan 8.270 nan 0.000 0.470 554 R N 2.762 123.290 120.500 0.048 0.000 2.360 554 R HA 0.392 4.732 4.340 0.000 0.000 0.318 554 R C -0.973 175.373 176.300 0.077 0.000 0.950 554 R CA -1.050 55.080 56.100 0.049 0.000 0.837 554 R CB 1.291 31.610 30.300 0.032 0.000 1.165 554 R HN 0.297 nan 8.270 nan 0.000 0.458 555 V N 2.862 122.840 119.914 0.106 0.000 2.585 555 V HA 0.181 4.301 4.120 0.000 0.000 0.296 555 V C 1.361 177.586 176.094 0.217 0.000 1.035 555 V CA 0.111 62.526 62.300 0.191 0.000 1.084 555 V CB 0.770 32.711 31.823 0.196 0.000 0.953 555 V HN 0.935 nan 8.190 nan 0.000 0.483 556 G N 3.328 112.291 108.800 0.271 0.000 2.684 556 G HA2 0.337 4.297 3.960 0.000 0.000 0.255 556 G HA3 0.337 4.297 3.960 0.000 0.000 0.255 556 G C 0.708 175.801 174.900 0.322 0.000 1.219 556 G CA 0.255 45.420 45.100 0.108 0.000 0.901 556 G HN 0.737 nan 8.290 nan 0.000 0.548 557 T N -0.277 114.346 114.554 0.114 0.000 2.964 557 T HA 0.163 4.513 4.350 0.000 0.000 0.249 557 T C 0.559 175.356 174.700 0.163 0.000 1.000 557 T CA 0.206 62.444 62.100 0.230 0.000 0.992 557 T CB 0.203 69.132 68.868 0.102 0.000 1.087 557 T HN 0.576 nan 8.240 nan 0.000 0.489 558 E N 0.741 120.818 120.200 -0.204 0.000 2.174 558 E HA 0.420 4.770 4.350 0.000 0.000 0.282 558 E C -1.326 174.854 176.600 -0.700 0.000 0.992 558 E CA -0.561 55.684 56.400 -0.259 0.000 0.803 558 E CB 1.107 30.672 29.700 -0.226 0.000 1.090 558 E HN 0.287 nan 8.360 nan 0.000 0.396 559 W N 1.000 122.276 121.300 -0.040 0.000 3.060 559 W HA 0.536 5.196 4.660 -0.000 0.000 0.346 559 W C -1.192 175.300 176.519 -0.044 0.000 1.194 559 W CA -0.681 56.633 57.345 -0.051 0.000 1.105 559 W CB 1.033 30.451 29.460 -0.070 0.000 1.487 559 W HN 0.117 nan 8.180 nan 0.000 0.592 560 V N 2.213 122.245 119.914 0.197 0.000 2.462 560 V HA 0.317 4.437 4.120 0.000 0.000 0.288 560 V C -0.769 175.418 176.094 0.154 0.000 1.020 560 V CA -0.987 61.391 62.300 0.130 0.000 0.857 560 V CB 0.969 32.831 31.823 0.064 0.000 1.013 560 V HN 0.335 nan 8.190 nan 0.000 0.431 561 V N 3.646 123.668 119.914 0.180 0.000 2.461 561 V HA 0.374 4.494 4.120 0.000 0.000 0.275 561 V C 0.590 176.840 176.094 0.260 0.000 1.047 561 V CA 0.175 62.582 62.300 0.179 0.000 0.955 561 V CB 1.512 33.410 31.823 0.126 0.000 0.988 561 V HN 0.911 nan 8.190 nan 0.000 0.471 562 T N 7.180 121.867 114.554 0.223 0.000 2.842 562 T HA 0.550 4.900 4.350 0.000 0.000 0.308 562 T C 0.142 174.976 174.700 0.223 0.000 1.041 562 T CA -0.166 62.072 62.100 0.229 0.000 0.964 562 T CB 0.745 69.722 68.868 0.180 0.000 0.972 562 T HN 0.349 nan 8.240 nan 0.000 0.460 563 L N 1.533 122.908 121.223 0.253 0.000 2.812 563 L HA 0.441 4.781 4.340 0.000 0.000 0.172 563 L C 1.322 178.287 176.870 0.158 0.000 1.892 563 L CA -0.920 54.035 54.840 0.192 0.000 2.525 563 L CB 0.141 42.336 42.059 0.228 0.000 2.930 563 L HN 0.463 nan 8.230 nan 0.000 0.625 564 Q N 0.571 120.455 119.800 0.141 0.000 2.574 564 Q HA -0.012 4.328 4.340 0.000 0.000 0.236 564 Q C 0.774 176.834 176.000 0.099 0.000 1.343 564 Q CA 0.685 56.549 55.803 0.102 0.000 0.870 564 Q CB -0.711 28.086 28.738 0.098 0.000 1.655 564 Q HN 0.736 nan 8.270 nan 0.000 0.544 565 G N 1.736 110.587 108.800 0.085 0.000 2.225 565 G HA2 -0.346 3.614 3.960 0.000 0.000 0.272 565 G HA3 -0.346 3.614 3.960 0.000 0.000 0.272 565 G C 0.032 174.959 174.900 0.045 0.000 0.996 565 G CA 0.418 45.553 45.100 0.059 0.000 0.710 565 G HN 0.748 nan 8.290 nan 0.000 0.522 566 A N -0.475 122.393 122.820 0.080 0.000 2.342 566 A HA 0.679 4.999 4.320 0.000 0.000 0.323 566 A C -0.615 176.953 177.584 -0.026 0.000 1.125 566 A CA -0.512 51.518 52.037 -0.012 0.000 0.785 566 A CB 1.230 20.238 19.000 0.014 0.000 1.221 566 A HN 0.099 nan 8.150 nan 0.000 0.463 567 D N 0.613 120.894 120.400 -0.198 0.000 2.177 567 D HA 0.586 5.226 4.640 0.000 0.000 0.247 567 D C -1.281 174.821 176.300 -0.331 0.000 1.063 567 D CA 0.512 54.443 54.000 -0.116 0.000 0.867 567 D CB 0.865 41.624 40.800 -0.069 0.000 1.168 567 D HN 0.298 nan 8.370 nan 0.000 0.445 568 F N 2.080 122.082 119.950 0.087 0.000 2.691 568 F HA 0.293 4.820 4.527 -0.000 0.000 0.371 568 F C -2.200 173.632 175.800 0.052 0.000 1.159 568 F CA -1.999 56.072 58.000 0.118 0.000 1.174 568 F CB 1.833 40.942 39.000 0.183 0.000 1.419 568 F HN -0.040 nan 8.300 nan 0.000 0.514 569 P HA 0.100 nan 4.420 nan 0.000 0.265 569 P C -0.541 176.794 177.300 0.057 0.000 1.222 569 P CA 0.345 63.494 63.100 0.083 0.000 0.767 569 P CB 1.271 33.001 31.700 0.050 0.000 0.801 570 V N 3.955 123.877 119.914 0.013 0.000 3.102 570 V HA 0.568 4.688 4.120 0.000 0.000 0.312 570 V C -0.316 175.779 176.094 0.002 0.000 1.135 570 V CA -0.325 61.915 62.300 -0.101 0.000 1.022 570 V CB 2.942 34.576 31.823 -0.315 0.000 1.056 570 V HN 0.326 nan 8.190 nan 0.000 0.436 571 T N 4.135 118.677 114.554 -0.019 0.000 2.876 571 T HA 0.667 5.017 4.350 0.000 0.000 0.289 571 T C -0.895 173.841 174.700 0.059 0.000 1.014 571 T CA -0.215 61.920 62.100 0.057 0.000 0.986 571 T CB 1.009 69.900 68.868 0.038 0.000 1.021 571 T HN 0.420 nan 8.240 nan 0.000 0.458 572 I N 2.444 123.092 120.570 0.129 0.000 2.493 572 I HA 0.763 4.933 4.170 0.000 0.000 0.298 572 I C -0.154 176.007 176.117 0.073 0.000 0.998 572 I CA -1.076 60.276 61.300 0.088 0.000 1.137 572 I CB 1.828 39.885 38.000 0.095 0.000 1.310 572 I HN 0.654 nan 8.210 nan 0.000 0.445 573 A N 4.628 127.473 122.820 0.042 0.000 2.408 573 A HA 0.914 5.234 4.320 0.000 0.000 0.295 573 A C -1.076 176.517 177.584 0.014 0.000 1.040 573 A CA -0.452 51.604 52.037 0.032 0.000 0.707 573 A CB 1.669 20.687 19.000 0.030 0.000 1.235 573 A HN 0.854 nan 8.150 nan 0.000 0.418 574 A N 1.961 124.780 122.820 -0.003 0.000 2.515 574 A HA 0.770 5.090 4.320 0.000 0.000 0.298 574 A C -0.470 177.072 177.584 -0.071 0.000 1.059 574 A CA -0.208 51.814 52.037 -0.025 0.000 0.698 574 A CB 1.658 20.643 19.000 -0.024 0.000 1.289 574 A HN 0.750 nan 8.150 nan 0.000 0.404 575 D N -1.254 119.092 120.400 -0.089 0.000 3.300 575 D HA 0.287 4.927 4.640 0.000 0.000 0.214 575 D C 0.794 176.880 176.300 -0.357 0.000 1.227 575 D CA 0.383 54.261 54.000 -0.203 0.000 1.341 575 D CB 0.465 41.227 40.800 -0.064 0.000 0.921 575 D HN 0.539 nan 8.370 nan 0.000 0.175 576 H N -0.892 118.187 119.070 0.016 0.000 2.800 576 H HA 0.216 4.772 4.556 -0.000 0.000 0.257 576 H C 0.687 176.023 175.328 0.014 0.000 0.967 576 H CA 0.428 56.484 56.048 0.014 0.000 1.192 576 H CB 0.587 30.355 29.762 0.011 0.000 1.441 576 H HN 0.174 nan 8.280 nan 0.000 0.461 577 D N 0.613 121.087 120.400 0.124 0.000 2.077 577 D HA 0.034 4.674 4.640 0.000 0.000 0.196 577 D C 1.551 177.881 176.300 0.051 0.000 0.986 577 D CA 1.612 55.658 54.000 0.077 0.000 0.829 577 D CB 0.306 41.143 40.800 0.061 0.000 0.983 577 D HN 0.393 nan 8.370 nan 0.000 0.453 578 G N -1.516 107.304 108.800 0.035 0.000 2.827 578 G HA2 0.485 4.445 3.960 0.000 0.000 0.202 578 G HA3 0.485 4.445 3.960 0.000 0.000 0.202 578 G C -1.339 173.568 174.900 0.012 0.000 1.185 578 G CA -0.098 45.017 45.100 0.026 0.000 0.920 578 G HN 0.135 nan 8.290 nan 0.000 0.550 579 S N -1.314 114.394 115.700 0.013 0.000 2.546 579 S HA 0.670 5.141 4.470 0.000 0.000 0.274 579 S C -1.251 173.357 174.600 0.014 0.000 1.121 579 S CA -0.321 57.883 58.200 0.007 0.000 0.887 579 S CB 1.848 65.048 63.200 -0.000 0.000 1.094 579 S HN 0.613 nan 8.310 nan 0.000 0.474 580 T N 3.429 117.994 114.554 0.018 0.000 2.874 580 T HA 0.409 4.759 4.350 0.000 0.000 0.321 580 T C -0.583 174.134 174.700 0.027 0.000 1.075 580 T CA -0.321 61.797 62.100 0.031 0.000 0.966 580 T CB 0.618 69.507 68.868 0.035 0.000 1.001 580 T HN 0.442 nan 8.240 nan 0.000 0.476 581 V N 3.978 123.907 119.914 0.025 0.000 2.432 581 V HA 0.433 4.553 4.120 0.000 0.000 0.275 581 V C 0.265 176.368 176.094 0.015 0.000 1.043 581 V CA -0.528 61.751 62.300 -0.034 0.000 0.925 581 V CB 1.291 33.044 31.823 -0.117 0.000 0.985 581 V HN 0.918 nan 8.190 nan 0.000 0.466 582 S N 5.102 120.781 115.700 -0.035 0.000 2.473 582 S HA 0.783 5.253 4.470 0.000 0.000 0.307 582 S C -0.806 173.808 174.600 0.024 0.000 1.094 582 S CA -0.510 57.747 58.200 0.095 0.000 1.070 582 S CB 1.180 64.432 63.200 0.087 0.000 1.019 582 S HN 0.374 nan 8.310 nan 0.000 0.480 583 F N 1.151 121.147 119.950 0.075 0.000 2.457 583 F HA 0.408 4.935 4.527 0.000 0.000 0.330 583 F C 1.147 176.993 175.800 0.078 0.000 1.069 583 F CA -1.240 56.821 58.000 0.101 0.000 1.009 583 F CB 0.389 39.468 39.000 0.131 0.000 1.276 583 F HN 0.435 nan 8.300 nan 0.000 0.492 587 G N 0.857 109.719 108.800 0.103 0.000 2.225 587 G HA2 -0.272 3.688 3.960 0.000 0.000 0.254 587 G HA3 -0.272 3.688 3.960 0.000 0.000 0.254 587 G C 0.448 175.407 174.900 0.098 0.000 0.988 587 G CA 0.706 45.859 45.100 0.087 0.000 0.625 587 G HN 1.270 nan 8.290 nan 0.000 0.527 588 S N -0.352 115.413 115.700 0.108 0.000 2.593 588 S HA 0.735 5.205 4.470 0.000 0.000 0.269 588 S C 0.048 174.769 174.600 0.200 0.000 1.334 588 S CA 0.731 58.983 58.200 0.086 0.000 1.015 588 S CB 1.935 65.120 63.200 -0.025 0.000 0.912 588 S HN 1.126 nan 8.310 nan 0.000 0.541 589 S N 1.712 117.509 115.700 0.161 0.000 2.543 589 S HA 0.496 4.966 4.470 0.000 0.000 0.271 589 S C -0.747 173.953 174.600 0.167 0.000 1.148 589 S CA -0.799 57.533 58.200 0.222 0.000 0.914 589 S CB 1.247 64.532 63.200 0.141 0.000 1.096 589 S HN 0.785 nan 8.310 nan 0.000 0.471 590 M N 2.044 121.782 119.600 0.229 0.000 2.578 590 M HA 0.589 5.069 4.480 0.000 0.000 0.321 590 M C -0.334 176.026 176.300 0.100 0.000 1.182 590 M CA -0.821 54.566 55.300 0.146 0.000 0.965 590 M CB 1.657 34.370 32.600 0.187 0.000 1.694 590 M HN 0.495 nan 8.290 nan 0.000 0.461 591 R N 1.436 121.972 120.500 0.060 0.000 2.310 591 R HA 0.581 4.921 4.340 0.000 0.000 0.324 591 R C -1.931 174.386 176.300 0.029 0.000 0.955 591 R CA -0.413 55.712 56.100 0.041 0.000 0.830 591 R CB 0.845 31.164 30.300 0.033 0.000 1.154 591 R HN 0.552 nan 8.270 nan 0.000 0.458 592 V N 3.691 123.618 119.914 0.021 0.000 2.427 592 V HA 0.543 4.663 4.120 0.000 0.000 0.286 592 V C -0.030 176.071 176.094 0.012 0.000 1.034 592 V CA -0.579 61.726 62.300 0.008 0.000 0.893 592 V CB 1.743 33.561 31.823 -0.007 0.000 0.982 592 V HN 0.806 nan 8.190 nan 0.000 0.452 593 T N 3.329 117.890 114.554 0.012 0.000 2.881 593 T HA 0.656 5.006 4.350 0.000 0.000 0.290 593 T C -0.750 173.967 174.700 0.027 0.000 1.000 593 T CA -0.269 61.844 62.100 0.022 0.000 0.978 593 T CB 1.489 70.369 68.868 0.020 0.000 0.997 593 T HN 0.821 nan 8.240 nan 0.000 0.443 594 S N 1.827 117.556 115.700 0.048 0.000 2.552 594 S HA 0.342 4.812 4.470 0.000 0.000 0.272 594 S C -0.063 174.595 174.600 0.097 0.000 1.150 594 S CA -0.518 57.727 58.200 0.075 0.000 0.849 594 S CB 1.930 65.189 63.200 0.097 0.000 1.113 594 S HN 0.707 nan 8.310 nan 0.000 0.458 595 D N 1.562 122.022 120.400 0.101 0.000 2.249 595 D HA 0.051 4.691 4.640 0.000 0.000 0.205 595 D C 0.613 176.970 176.300 0.096 0.000 0.962 595 D CA 0.117 54.162 54.000 0.075 0.000 0.860 595 D CB 0.014 40.847 40.800 0.055 0.000 0.955 595 D HN 0.555 nan 8.370 nan 0.000 0.505 596 W N 1.669 122.950 121.300 -0.032 0.000 2.576 596 W HA 0.068 4.728 4.660 0.000 0.000 0.339 596 W C -0.383 176.121 176.519 -0.026 0.000 1.170 596 W CA 0.947 58.269 57.345 -0.037 0.000 1.370 596 W CB 0.288 29.714 29.460 -0.058 0.000 1.187 596 W HN -0.076 nan 8.180 nan 0.000 0.584 597 T N 5.862 119.579 114.554 -1.395 0.000 2.942 597 T HA 0.320 4.670 4.350 0.000 0.000 0.327 597 T C -2.647 171.121 174.700 -1.555 0.000 1.360 597 T CA -1.116 60.315 62.100 -1.115 0.000 1.055 597 T CB 1.505 70.070 68.868 -0.506 0.000 1.261 597 T HN 0.148 nan 8.240 nan 0.000 0.485 598 P HA 0.205 nan 4.420 nan 0.000 0.264 598 P C 0.927 177.957 177.300 -0.451 0.000 1.173 598 P CA 2.002 64.835 63.100 -0.444 0.000 0.761 598 P CB 0.219 31.838 31.700 -0.136 0.000 0.794 599 G N 1.763 110.421 108.800 -0.236 0.000 2.268 599 G HA2 -0.201 3.759 3.960 0.000 0.000 0.240 599 G HA3 -0.201 3.759 3.960 0.000 0.000 0.240 599 G C -0.246 174.578 174.900 -0.127 0.000 1.010 599 G CA -0.187 44.835 45.100 -0.129 0.000 0.618 599 G HN 0.538 nan 8.290 nan 0.000 0.516 600 D N 0.983 121.159 120.400 -0.372 0.000 2.383 600 D HA 0.463 5.103 4.640 0.000 0.000 0.252 600 D C 1.515 178.026 176.300 0.352 0.000 1.166 600 D CA 0.052 54.002 54.000 -0.083 0.000 0.879 600 D CB 0.930 41.591 40.800 -0.230 0.000 1.164 600 D HN 0.509 nan 8.370 nan 0.000 0.462 601 Q N 0.813 120.741 119.800 0.214 0.000 2.435 601 Q HA 0.093 4.433 4.340 0.000 0.000 0.207 601 Q C -0.011 176.095 176.000 0.176 0.000 0.956 601 Q CA 0.361 56.286 55.803 0.203 0.000 0.917 601 Q CB 0.373 29.180 28.738 0.116 0.000 0.997 601 Q HN 0.312 nan 8.270 nan 0.000 0.497 602 L N -0.075 121.267 121.223 0.198 0.000 2.385 602 L HA 0.630 4.970 4.340 0.000 0.000 0.273 602 L C -1.668 175.299 176.870 0.162 0.000 0.990 602 L CA -0.665 54.241 54.840 0.109 0.000 0.821 602 L CB 1.867 43.963 42.059 0.062 0.000 1.279 602 L HN -0.141 nan 8.230 nan 0.000 0.412 603 A N 3.855 126.685 122.820 0.017 0.000 2.291 603 A HA 0.648 4.968 4.320 0.000 0.000 0.311 603 A C -0.971 176.602 177.584 -0.018 0.000 1.224 603 A CA -0.667 51.382 52.037 0.020 0.000 0.821 603 A CB 0.318 19.110 19.000 -0.347 0.000 1.172 603 A HN 0.677 nan 8.150 nan 0.000 0.494 604 N N 2.900 121.627 118.700 0.043 0.000 2.558 604 N HA 0.444 5.184 4.740 0.000 0.000 0.233 604 N C -0.792 174.725 175.510 0.012 0.000 1.038 604 N CA 0.038 53.097 53.050 0.014 0.000 0.934 604 N CB 0.985 39.486 38.487 0.024 0.000 1.175 604 N HN 0.510 nan 8.380 nan 0.000 0.512 605 L N 0.948 122.157 121.223 -0.023 0.000 2.347 605 L HA 0.655 4.995 4.340 0.000 0.000 0.268 605 L C 0.130 176.990 176.870 -0.017 0.000 1.019 605 L CA -0.805 54.022 54.840 -0.022 0.000 0.806 605 L CB 0.661 42.683 42.059 -0.062 0.000 1.339 605 L HN 0.250 nan 8.230 nan 0.000 0.463 606 M N 0.841 120.434 119.600 -0.011 0.000 2.098 606 M HA 0.468 4.948 4.480 0.000 0.000 0.265 606 M C -1.788 174.509 176.300 -0.006 0.000 0.940 606 M CA -0.160 55.136 55.300 -0.007 0.000 1.007 606 M CB 1.360 33.961 32.600 0.002 0.000 1.823 606 M HN 0.143 nan 8.290 nan 0.000 0.453 607 V N 4.599 124.506 119.914 -0.011 0.000 2.347 607 V HA 0.419 4.539 4.120 0.000 0.000 0.280 607 V C -0.151 175.942 176.094 -0.001 0.000 1.021 607 V CA -0.562 61.735 62.300 -0.004 0.000 0.847 607 V CB 1.413 33.230 31.823 -0.011 0.000 0.990 607 V HN 0.862 nan 8.190 nan 0.000 0.444 608 D N 4.548 124.954 120.400 0.009 0.000 2.705 608 D HA -0.179 4.461 4.640 0.000 0.000 0.240 608 D C 1.423 177.724 176.300 0.000 0.000 1.137 608 D CA 1.546 55.550 54.000 0.006 0.000 0.677 608 D CB -1.036 39.763 40.800 -0.001 0.000 1.049 608 D HN 1.319 nan 8.370 nan 0.000 0.427 609 G N -0.979 107.822 108.800 0.002 0.000 2.238 609 G HA2 -0.212 3.748 3.960 0.000 0.000 0.270 609 G HA3 -0.212 3.748 3.960 0.000 0.000 0.270 609 G C 0.484 175.381 174.900 -0.005 0.000 0.977 609 G CA 1.030 46.130 45.100 -0.000 0.000 0.639 609 G HN 1.330 nan 8.290 nan 0.000 0.544 610 A N 0.554 123.369 122.820 -0.009 0.000 2.288 610 A HA 0.766 5.086 4.320 0.000 0.000 0.320 610 A C -1.958 175.617 177.584 -0.015 0.000 1.217 610 A CA -1.471 50.558 52.037 -0.013 0.000 0.840 610 A CB 1.213 20.204 19.000 -0.016 0.000 1.179 610 A HN 0.102 nan 8.150 nan 0.000 0.504 611 P HA 0.151 nan 4.420 nan 0.000 0.264 611 P C -0.831 176.456 177.300 -0.022 0.000 1.179 611 P CA 0.324 63.414 63.100 -0.016 0.000 0.763 611 P CB 0.338 32.031 31.700 -0.013 0.000 0.806 612 L N 5.217 126.422 121.223 -0.030 0.000 2.518 612 L HA 0.350 4.690 4.340 0.000 0.000 0.262 612 L C -1.396 175.442 176.870 -0.052 0.000 0.982 612 L CA -0.462 54.353 54.840 -0.042 0.000 0.873 612 L CB 1.458 43.484 42.059 -0.055 0.000 1.198 612 L HN -0.002 nan 8.230 nan 0.000 0.427 613 V N 6.244 126.133 119.914 -0.042 0.000 2.383 613 V HA 0.534 4.654 4.120 0.000 0.000 0.275 613 V C 0.113 176.170 176.094 -0.062 0.000 1.036 613 V CA -0.308 61.965 62.300 -0.045 0.000 0.889 613 V CB 1.461 33.271 31.823 -0.021 0.000 0.985 613 V HN 0.633 nan 8.190 nan 0.000 0.459 614 L N 4.918 126.081 121.223 -0.101 0.000 2.341 614 L HA 0.629 4.969 4.340 0.000 0.000 0.267 614 L C -0.147 176.650 176.870 -0.121 0.000 1.009 614 L CA -0.850 53.910 54.840 -0.133 0.000 0.819 614 L CB 2.178 44.096 42.059 -0.236 0.000 1.323 614 L HN 0.441 nan 8.230 nan 0.000 0.425 615 K N 1.825 122.169 120.400 -0.092 0.000 2.263 615 K HA 0.548 4.868 4.320 0.000 0.000 0.272 615 K C -1.156 175.382 176.600 -0.103 0.000 1.033 615 K CA -0.526 55.732 56.287 -0.049 0.000 0.884 615 K CB 1.926 34.434 32.500 0.013 0.000 1.107 615 K HN 0.244 nan 8.250 nan 0.000 0.460 616 V N 1.494 121.336 119.914 -0.121 0.000 2.547 616 V HA 0.688 4.808 4.120 0.000 0.000 0.299 616 V C 0.485 176.606 176.094 0.045 0.000 1.040 616 V CA -0.843 61.353 62.300 -0.173 0.000 0.913 616 V CB 1.756 33.257 31.823 -0.537 0.000 0.992 616 V HN 0.928 nan 8.190 nan 0.000 0.449 617 G N 2.136 110.996 108.800 0.100 0.000 2.659 617 G HA2 0.597 4.557 3.960 0.000 0.000 0.296 617 G HA3 0.597 4.557 3.960 0.000 0.000 0.296 617 G C -1.319 173.730 174.900 0.248 0.000 1.369 617 G CA -0.881 44.317 45.100 0.164 0.000 0.937 617 G HN 0.587 nan 8.290 nan 0.000 0.485 618 K N 0.095 120.618 120.400 0.205 0.000 2.185 618 K HA 0.661 4.981 4.320 0.000 0.000 0.271 618 K C -0.429 176.222 176.600 0.085 0.000 1.013 618 K CA -0.045 56.338 56.287 0.160 0.000 0.943 618 K CB 1.221 33.793 32.500 0.119 0.000 0.998 618 K HN 0.347 nan 8.250 nan 0.000 0.468 619 I N 0.175 120.763 120.570 0.030 0.000 3.006 619 I HA 0.080 4.250 4.170 0.000 0.000 0.306 619 I C 0.130 176.253 176.117 0.009 0.000 1.250 619 I CA -0.757 60.550 61.300 0.013 0.000 0.996 619 I CB 2.222 40.203 38.000 -0.032 0.000 1.261 619 I HN 0.599 nan 8.210 nan 0.000 0.442 624 G N -0.226 108.509 108.800 -0.107 0.000 2.564 624 G HA2 0.534 4.494 3.960 0.000 0.000 0.139 624 G HA3 0.534 4.494 3.960 0.000 0.000 0.139 624 G C -1.274 173.329 174.900 -0.495 0.000 1.147 624 G CA 0.112 44.961 45.100 -0.418 0.000 1.031 624 G HN 0.766 nan 8.290 nan 0.000 0.482 625 F N -0.616 119.301 119.950 -0.056 0.000 2.675 625 F HA 0.843 5.370 4.527 0.000 0.000 0.324 625 F C 0.105 175.839 175.800 -0.110 0.000 1.106 625 F CA -1.463 56.498 58.000 -0.066 0.000 0.970 625 F CB 1.494 40.457 39.000 -0.062 0.000 1.385 625 F HN 0.528 nan 8.300 nan 0.000 0.489 626 R N 1.495 122.093 120.500 0.164 0.000 2.215 626 R HA 0.667 5.007 4.340 0.000 0.000 0.336 626 R C -1.761 174.544 176.300 0.008 0.000 0.996 626 R CA -0.373 55.754 56.100 0.045 0.000 0.847 626 R CB 0.332 30.651 30.300 0.031 0.000 1.127 626 R HN 0.642 nan 8.270 nan 0.000 0.465 627 I N 3.805 124.357 120.570 -0.030 0.000 2.460 627 I HA 0.410 4.580 4.170 0.000 0.000 0.298 627 I C -0.140 175.951 176.117 -0.042 0.000 0.989 627 I CA -0.564 60.682 61.300 -0.089 0.000 1.173 627 I CB 1.853 39.770 38.000 -0.137 0.000 1.338 627 I HN 0.518 nan 8.210 nan 0.000 0.456 628 R N 3.319 123.796 120.500 -0.038 0.000 2.483 628 R HA 0.610 4.950 4.340 0.000 0.000 0.303 628 R C -0.108 176.194 176.300 0.003 0.000 0.987 628 R CA -0.259 55.847 56.100 0.010 0.000 0.881 628 R CB 1.725 32.053 30.300 0.047 0.000 1.177 628 R HN 0.748 nan 8.270 nan 0.000 0.451 629 T N 1.050 115.614 114.554 0.016 0.000 3.556 629 T HA 0.236 4.586 4.350 0.000 0.000 0.204 629 T C 0.775 175.498 174.700 0.039 0.000 0.896 629 T CA -0.093 62.013 62.100 0.010 0.000 1.380 629 T CB 0.010 68.874 68.868 -0.007 0.000 1.584 629 T HN 0.210 nan 8.240 nan 0.000 0.411 630 R N 0.761 121.294 120.500 0.054 0.000 1.177 630 R HA 0.551 4.891 4.340 0.000 0.000 0.084 630 R C 2.291 178.663 176.300 0.121 0.000 1.117 630 R CA 0.486 56.629 56.100 0.072 0.000 2.033 630 R CB -1.030 29.311 30.300 0.069 0.000 0.945 630 R HN 0.415 nan 8.270 nan 0.000 0.717 631 G N 0.275 109.177 108.800 0.169 0.000 2.653 631 G HA2 0.047 4.007 3.960 0.000 0.000 0.212 631 G HA3 0.047 4.007 3.960 0.000 0.000 0.212 631 G C 0.271 175.340 174.900 0.281 0.000 1.138 631 G CA 0.513 45.800 45.100 0.311 0.000 0.782 631 G HN 0.574 nan 8.290 nan 0.000 0.535 632 A N 0.088 123.010 122.820 0.169 0.000 2.448 632 A HA 0.465 4.785 4.320 0.000 0.000 0.239 632 A C 0.185 177.834 177.584 0.107 0.000 1.080 632 A CA 0.291 52.397 52.037 0.115 0.000 0.779 632 A CB 0.398 19.439 19.000 0.069 0.000 1.026 632 A HN 0.241 nan 8.150 nan 0.000 0.499 633 D N 0.285 120.724 120.400 0.065 0.000 2.369 633 D HA 0.271 4.911 4.640 0.000 0.000 0.185 633 D C -1.264 175.038 176.300 0.003 0.000 1.253 633 D CA -0.210 53.813 54.000 0.038 0.000 1.107 633 D CB -0.466 40.365 40.800 0.052 0.000 1.588 633 D HN 0.733 nan 8.370 nan 0.000 0.561 634 L N -0.768 120.454 121.223 -0.001 0.000 2.434 634 L HA 0.678 5.018 4.340 0.000 0.000 0.260 634 L C -0.401 176.456 176.870 -0.022 0.000 0.983 634 L CA -1.113 53.722 54.840 -0.008 0.000 0.820 634 L CB 2.041 44.107 42.059 0.011 0.000 1.361 634 L HN -0.149 nan 8.230 nan 0.000 0.410 635 K N 1.792 122.166 120.400 -0.043 0.000 2.383 635 K HA 0.365 4.685 4.320 0.000 0.000 0.286 635 K C -0.849 175.672 176.600 -0.132 0.000 1.051 635 K CA -0.333 55.879 56.287 -0.125 0.000 0.974 635 K CB 1.453 33.842 32.500 -0.185 0.000 0.968 635 K HN 0.413 nan 8.250 nan 0.000 0.475 636 V N 5.277 125.126 119.914 -0.109 0.000 2.294 636 V HA 0.070 4.190 4.120 0.000 0.000 0.272 636 V C -0.090 175.969 176.094 -0.059 0.000 1.027 636 V CA -0.824 61.469 62.300 -0.012 0.000 0.823 636 V CB 0.388 32.257 31.823 0.077 0.000 1.030 636 V HN 0.673 nan 8.190 nan 0.000 0.457 637 H N 3.521 122.625 119.070 0.056 0.000 2.668 637 H HA 0.358 4.914 4.556 0.000 0.000 0.303 637 H C -0.479 174.833 175.328 -0.027 0.000 1.074 637 H CA -0.152 55.899 56.048 0.006 0.000 1.406 637 H CB 1.971 31.742 29.762 0.015 0.000 1.442 637 H HN 0.385 nan 8.280 nan 0.000 0.482 638 V N 6.646 126.537 119.914 -0.038 0.000 2.257 638 V HA 0.293 4.413 4.120 0.000 0.000 0.269 638 V C 0.537 176.520 176.094 -0.186 0.000 1.040 638 V CA -0.424 61.756 62.300 -0.201 0.000 0.813 638 V CB 0.292 31.788 31.823 -0.545 0.000 1.065 638 V HN 0.646 nan 8.190 nan 0.000 0.457 639 R N 1.682 122.233 120.500 0.084 0.000 2.923 639 R HA 0.743 5.083 4.340 0.000 0.000 0.252 639 R C 0.221 176.630 176.300 0.183 0.000 1.130 639 R CA -0.685 55.507 56.100 0.153 0.000 1.043 639 R CB 1.837 32.169 30.300 0.054 0.000 1.205 639 R HN 0.659 nan 8.270 nan 0.000 0.495 640 T N -1.801 112.736 114.554 -0.028 0.000 2.918 640 T HA 0.251 4.601 4.350 0.000 0.000 0.283 640 T C -1.800 172.789 174.700 -0.185 0.000 1.001 640 T CA -1.897 60.005 62.100 -0.330 0.000 1.041 640 T CB 1.409 70.007 68.868 -0.451 0.000 1.028 640 T HN 0.233 nan 8.240 nan 0.000 0.511 641 P HA -0.250 nan 4.420 nan 0.000 0.218 641 P C 1.487 178.729 177.300 -0.097 0.000 1.165 641 P CA 1.429 64.452 63.100 -0.128 0.000 0.922 641 P CB 0.048 31.666 31.700 -0.138 0.000 0.794 642 R N -0.275 120.162 120.500 -0.104 0.000 2.148 642 R HA -0.125 4.215 4.340 0.000 0.000 0.227 642 R C 2.562 178.825 176.300 -0.061 0.000 1.103 642 R CA 1.208 57.264 56.100 -0.074 0.000 0.983 642 R CB -0.319 29.940 30.300 -0.069 0.000 0.874 642 R HN 0.210 nan 8.270 nan 0.000 0.451 643 Q N -0.383 119.377 119.800 -0.066 0.000 2.020 643 Q HA -0.136 4.204 4.340 0.000 0.000 0.202 643 Q C 2.036 178.010 176.000 -0.043 0.000 0.982 643 Q CA 1.970 57.748 55.803 -0.042 0.000 0.838 643 Q CB -0.091 28.633 28.738 -0.022 0.000 0.899 643 Q HN 0.419 nan 8.270 nan 0.000 0.423 644 A N 0.854 123.647 122.820 -0.045 0.000 1.858 644 A HA -0.287 4.033 4.320 0.000 0.000 0.216 644 A C 1.903 179.460 177.584 -0.044 0.000 1.190 644 A CA 1.790 53.803 52.037 -0.041 0.000 0.617 644 A CB -0.818 18.166 19.000 -0.027 0.000 0.827 644 A HN 0.550 nan 8.150 nan 0.000 0.443 645 E N -0.126 120.048 120.200 -0.044 0.000 2.086 645 E HA -0.232 4.118 4.350 0.000 0.000 0.200 645 E C 1.913 178.490 176.600 -0.038 0.000 1.012 645 E CA 1.701 58.077 56.400 -0.040 0.000 0.812 645 E CB -0.258 29.417 29.700 -0.042 0.000 0.743 645 E HN 0.632 nan 8.360 nan 0.000 0.453 646 L N 0.023 121.222 121.223 -0.039 0.000 2.131 646 L HA -0.020 4.320 4.340 0.000 0.000 0.206 646 L C 2.691 179.537 176.870 -0.041 0.000 1.087 646 L CA 0.669 55.487 54.840 -0.036 0.000 0.767 646 L CB -0.456 41.583 42.059 -0.032 0.000 0.917 646 L HN 0.212 nan 8.230 nan 0.000 0.441 647 A N 0.100 122.889 122.820 -0.052 0.000 2.076 647 A HA -0.234 4.086 4.320 0.000 0.000 0.220 647 A C 2.376 179.922 177.584 -0.063 0.000 1.160 647 A CA 1.447 53.442 52.037 -0.070 0.000 0.653 647 A CB -0.581 18.355 19.000 -0.106 0.000 0.801 647 A HN 0.315 nan 8.150 nan 0.000 0.455 648 R N -0.794 119.675 120.500 -0.051 0.000 2.189 648 R HA 0.089 4.429 4.340 0.000 0.000 0.218 648 R C 1.293 177.573 176.300 -0.033 0.000 1.074 648 R CA 0.732 56.808 56.100 -0.041 0.000 0.991 648 R CB -0.229 30.050 30.300 -0.035 0.000 0.883 648 R HN 0.564 nan 8.270 nan 0.000 0.457 649 L N 0.295 121.499 121.223 -0.032 0.000 2.558 649 L HA 0.108 4.448 4.340 0.000 0.000 0.225 649 L C 0.326 177.181 176.870 -0.025 0.000 1.128 649 L CA -0.190 54.635 54.840 -0.026 0.000 0.868 649 L CB 0.009 42.053 42.059 -0.023 0.000 1.006 649 L HN 0.098 nan 8.230 nan 0.000 0.454 650 M N 1.058 120.639 119.600 -0.030 0.000 2.219 650 M HA 0.242 4.722 4.480 0.000 0.000 0.353 650 M C -1.878 174.409 176.300 -0.023 0.000 1.304 650 M CA -1.757 53.526 55.300 -0.028 0.000 1.115 650 M CB -0.448 32.129 32.600 -0.037 0.000 1.664 650 M HN -0.226 nan 8.290 nan 0.000 0.459 651 P HA 0.028 nan 4.420 nan 0.000 0.269 651 P C -0.373 176.919 177.300 -0.012 0.000 1.217 651 P CA -0.131 62.961 63.100 -0.013 0.000 0.783 651 P CB 0.521 32.215 31.700 -0.010 0.000 0.898 652 E N 2.278 122.473 120.200 -0.010 0.000 2.081 652 E HA 0.046 4.396 4.350 0.000 0.000 0.281 652 E C -0.078 176.519 176.600 -0.005 0.000 0.986 652 E CA -0.819 55.577 56.400 -0.007 0.000 0.796 652 E CB 0.555 30.252 29.700 -0.006 0.000 1.085 652 E HN 0.263 nan 8.360 nan 0.000 0.398 653 K N 4.658 125.057 120.400 -0.003 0.000 2.491 653 K HA 0.005 4.325 4.320 0.000 0.000 0.279 653 K C -0.610 175.988 176.600 -0.003 0.000 1.026 653 K CA 0.299 56.585 56.287 -0.002 0.000 1.070 653 K CB 0.257 32.758 32.500 0.002 0.000 0.887 653 K HN 0.450 nan 8.250 nan 0.000 0.481 654 L N 5.340 126.561 121.223 -0.004 0.000 2.319 654 L HA 0.298 4.638 4.340 0.000 0.000 0.281 654 L C -1.499 175.367 176.870 -0.007 0.000 1.005 654 L CA -2.167 52.670 54.840 -0.006 0.000 0.828 654 L CB 1.681 43.736 42.059 -0.006 0.000 1.227 654 L HN 0.731 nan 8.230 nan 0.000 0.415 655 P HA 0.047 nan 4.420 nan 0.000 0.272 655 P C -2.530 174.763 177.300 -0.012 0.000 1.225 655 P CA -0.619 62.473 63.100 -0.012 0.000 0.800 655 P CB -0.482 31.208 31.700 -0.017 0.000 0.894 656 P HA 0.214 nan 4.420 nan 0.000 0.279 656 P C -0.577 176.714 177.300 -0.015 0.000 1.282 656 P CA -0.206 62.887 63.100 -0.012 0.000 0.788 656 P CB 0.738 32.431 31.700 -0.012 0.000 1.139 657 D N -0.482 119.910 120.400 -0.013 0.000 2.229 657 D HA 0.346 4.986 4.640 0.000 0.000 0.249 657 D C -0.197 176.091 176.300 -0.020 0.000 1.027 657 D CA 0.224 54.215 54.000 -0.015 0.000 0.923 657 D CB 1.122 41.917 40.800 -0.009 0.000 1.174 657 D HN 0.214 nan 8.370 nan 0.000 0.443 658 T N 0.262 114.800 114.554 -0.026 0.000 2.856 658 T HA 0.372 4.722 4.350 0.000 0.000 0.283 658 T C 0.100 174.784 174.700 -0.027 0.000 1.008 658 T CA -0.736 61.341 62.100 -0.037 0.000 0.997 658 T CB 1.316 70.145 68.868 -0.065 0.000 0.992 658 T HN 0.372 nan 8.240 nan 0.000 0.454 659 S N 2.097 117.786 115.700 -0.019 0.000 2.610 659 S HA 0.381 4.851 4.470 0.000 0.000 0.273 659 S C 0.521 175.126 174.600 0.008 0.000 1.274 659 S CA -0.744 57.459 58.200 0.005 0.000 1.023 659 S CB 0.959 64.170 63.200 0.019 0.000 0.962 659 S HN 0.646 nan 8.310 nan 0.000 0.523 660 K N 0.587 121.019 120.400 0.053 0.000 2.504 660 K HA 0.247 4.567 4.320 0.000 0.000 0.199 660 K C -0.506 176.246 176.600 0.253 0.000 1.028 660 K CA 0.104 56.466 56.287 0.125 0.000 1.164 660 K CB -0.145 32.438 32.500 0.138 0.000 0.877 660 K HN 0.531 nan 8.250 nan 0.000 0.508 661 M N 1.558 121.256 119.600 0.163 0.000 2.125 661 M HA 0.198 4.678 4.480 0.000 0.000 0.321 661 M C -1.277 175.117 176.300 0.157 0.000 0.983 661 M CA -0.954 54.448 55.300 0.170 0.000 0.934 661 M CB 1.412 34.067 32.600 0.091 0.000 1.542 661 M HN -0.108 nan 8.290 nan 0.000 0.424 662 L N 6.636 127.992 121.223 0.222 0.000 2.385 662 L HA 0.438 4.778 4.340 0.000 0.000 0.285 662 L C -1.316 175.612 176.870 0.097 0.000 1.125 662 L CA 0.310 55.252 54.840 0.169 0.000 0.890 662 L CB -0.348 41.862 42.059 0.252 0.000 1.251 662 L HN 0.632 nan 8.230 nan 0.000 0.445 663 L N 4.266 125.529 121.223 0.066 0.000 2.395 663 L HA 0.278 4.618 4.340 0.000 0.000 0.269 663 L C 0.365 177.259 176.870 0.040 0.000 1.133 663 L CA -0.566 54.301 54.840 0.046 0.000 0.812 663 L CB 0.997 43.077 42.059 0.035 0.000 1.125 663 L HN 0.614 nan 8.230 nan 0.000 0.452 664 C N 5.527 124.847 119.300 0.033 0.000 2.464 664 C HA 0.302 4.762 4.460 0.000 0.000 0.370 664 C C -0.611 174.393 174.990 0.024 0.000 1.267 664 C CA -1.198 57.837 59.018 0.029 0.000 1.781 664 C CB -0.040 27.714 27.740 0.025 0.000 2.431 664 C HN 0.667 nan 8.230 nan 0.000 0.556 665 P HA 0.047 nan 4.420 nan 0.000 0.235 665 P C 0.103 177.413 177.300 0.017 0.000 1.177 665 P CA 0.857 63.968 63.100 0.019 0.000 0.785 665 P CB 0.046 31.757 31.700 0.018 0.000 0.885 666 M N -1.381 118.229 119.600 0.018 0.000 2.253 666 M HA 0.583 5.063 4.480 0.000 0.000 0.314 666 M C -3.176 173.133 176.300 0.015 0.000 1.019 666 M CA -2.720 52.589 55.300 0.016 0.000 0.932 666 M CB 2.049 34.659 32.600 0.017 0.000 1.606 666 M HN -0.386 nan 8.290 nan 0.000 0.430 667 P HA 0.255 nan 4.420 nan 0.000 0.264 667 P C -0.158 177.149 177.300 0.013 0.000 1.537 667 P CA 0.479 63.587 63.100 0.013 0.000 1.189 667 P CB 0.067 31.774 31.700 0.011 0.000 1.687 668 G N 2.002 110.810 108.800 0.014 0.000 3.243 668 G HA2 0.625 4.585 3.960 0.000 0.000 0.248 668 G HA3 0.625 4.585 3.960 0.000 0.000 0.248 668 G C -1.630 173.278 174.900 0.014 0.000 1.267 668 G CA -0.640 44.469 45.100 0.014 0.000 0.906 668 G HN 0.458 nan 8.290 nan 0.000 0.592 669 L N 0.372 121.604 121.223 0.014 0.000 2.333 669 L HA 0.634 4.974 4.340 0.000 0.000 0.280 669 L C -0.545 176.334 176.870 0.016 0.000 1.004 669 L CA -0.892 53.957 54.840 0.014 0.000 0.820 669 L CB 1.394 43.460 42.059 0.013 0.000 1.247 669 L HN 0.389 nan 8.230 nan 0.000 0.416 670 I N 6.007 126.585 120.570 0.015 0.000 2.494 670 I HA -0.012 4.158 4.170 0.000 0.000 0.289 670 I C 0.983 177.110 176.117 0.016 0.000 1.106 670 I CA -0.039 61.271 61.300 0.016 0.000 1.369 670 I CB 1.288 39.296 38.000 0.014 0.000 1.410 670 I HN 0.613 nan 8.210 nan 0.000 0.523 671 V N 6.265 126.190 119.914 0.020 0.000 2.535 671 V HA -0.063 4.057 4.120 0.000 0.000 0.246 671 V C 0.622 176.728 176.094 0.021 0.000 1.045 671 V CA 1.346 63.658 62.300 0.021 0.000 1.058 671 V CB -0.464 31.374 31.823 0.025 0.000 0.689 671 V HN 0.902 nan 8.190 nan 0.000 0.461 672 K N -0.935 119.478 120.400 0.021 0.000 2.610 672 K HA 0.462 4.782 4.320 0.000 0.000 0.267 672 K C -2.042 174.570 176.600 0.019 0.000 0.943 672 K CA -0.693 55.606 56.287 0.019 0.000 0.862 672 K CB 2.025 34.539 32.500 0.023 0.000 1.376 672 K HN -0.187 nan 8.250 nan 0.000 0.412 673 V N 2.831 122.753 119.914 0.013 0.000 2.417 673 V HA 0.311 4.431 4.120 0.000 0.000 0.291 673 V C -0.266 175.833 176.094 0.009 0.000 1.024 673 V CA -0.504 61.803 62.300 0.012 0.000 0.861 673 V CB 1.466 33.291 31.823 0.003 0.000 0.985 673 V HN 0.981 nan 8.190 nan 0.000 0.436 674 D N 2.976 123.385 120.400 0.015 0.000 2.559 674 D HA 0.216 4.856 4.640 0.000 0.000 0.234 674 D C -0.241 176.066 176.300 0.012 0.000 1.226 674 D CA 0.048 54.054 54.000 0.010 0.000 0.830 674 D CB 1.434 42.242 40.800 0.014 0.000 1.028 674 D HN 0.301 nan 8.370 nan 0.000 0.492 675 V N 0.456 120.375 119.914 0.009 0.000 2.789 675 V HA 0.273 4.393 4.120 0.000 0.000 0.311 675 V C -0.206 175.878 176.094 -0.015 0.000 1.073 675 V CA -0.874 61.431 62.300 0.007 0.000 0.921 675 V CB 2.880 34.720 31.823 0.028 0.000 1.009 675 V HN 0.009 nan 8.190 nan 0.000 0.426 676 E N 1.453 121.642 120.200 -0.019 0.000 2.227 676 E HA 0.574 4.924 4.350 0.000 0.000 0.268 676 E C -0.962 175.609 176.600 -0.047 0.000 0.990 676 E CA -0.874 55.508 56.400 -0.030 0.000 0.856 676 E CB 2.351 32.038 29.700 -0.021 0.000 1.159 676 E HN 0.496 nan 8.360 nan 0.000 0.401 677 V N 0.942 120.823 119.914 -0.055 0.000 2.763 677 V HA 0.163 4.283 4.120 0.000 0.000 0.306 677 V C 1.384 177.449 176.094 -0.049 0.000 1.059 677 V CA 0.834 63.092 62.300 -0.070 0.000 1.138 677 V CB 0.126 31.913 31.823 -0.060 0.000 0.940 677 V HN 1.075 nan 8.190 nan 0.000 0.489 678 G N 2.168 110.937 108.800 -0.052 0.000 2.166 678 G HA2 -0.303 3.657 3.960 0.000 0.000 0.260 678 G HA3 -0.303 3.657 3.960 0.000 0.000 0.260 678 G C 0.239 175.134 174.900 -0.009 0.000 0.986 678 G CA 0.746 45.831 45.100 -0.025 0.000 0.683 678 G HN 0.948 nan 8.290 nan 0.000 0.527 679 Q N -0.005 119.789 119.800 -0.010 0.000 2.260 679 Q HA 0.559 4.899 4.340 0.000 0.000 0.238 679 Q C 0.027 176.052 176.000 0.042 0.000 0.948 679 Q CA -0.497 55.313 55.803 0.012 0.000 0.895 679 Q CB 0.609 29.353 28.738 0.010 0.000 1.218 679 Q HN 0.456 nan 8.270 nan 0.000 0.470 680 E N 1.482 121.711 120.200 0.049 0.000 2.179 680 E HA 0.429 4.779 4.350 0.000 0.000 0.275 680 E C -1.416 175.233 176.600 0.080 0.000 0.945 680 E CA -0.821 55.621 56.400 0.070 0.000 0.792 680 E CB 1.484 31.214 29.700 0.049 0.000 1.125 680 E HN 0.452 nan 8.360 nan 0.000 0.397 681 V N 1.323 121.302 119.914 0.109 0.000 2.680 681 V HA 0.483 4.603 4.120 0.000 0.000 0.309 681 V C -0.519 175.603 176.094 0.047 0.000 1.052 681 V CA -1.124 61.232 62.300 0.092 0.000 0.908 681 V CB 1.706 33.620 31.823 0.151 0.000 1.001 681 V HN 0.601 nan 8.190 nan 0.000 0.431 682 Q N 1.684 121.504 119.800 0.033 0.000 2.259 682 Q HA 0.279 4.619 4.340 0.000 0.000 0.246 682 Q C 0.142 176.140 176.000 -0.004 0.000 0.920 682 Q CA -0.235 55.578 55.803 0.017 0.000 0.895 682 Q CB 1.472 30.224 28.738 0.023 0.000 1.220 682 Q HN 0.966 nan 8.270 nan 0.000 0.439 683 E N 0.670 120.861 120.200 -0.015 0.000 2.603 683 E HA 0.028 4.378 4.350 0.000 0.000 0.242 683 E C 0.181 176.768 176.600 -0.022 0.000 1.083 683 E CA 0.930 57.310 56.400 -0.034 0.000 0.950 683 E CB -0.307 29.372 29.700 -0.033 0.000 0.952 683 E HN 0.849 nan 8.360 nan 0.000 0.498 684 G N 3.914 112.699 108.800 -0.025 0.000 2.148 684 G HA2 -0.267 3.693 3.960 0.000 0.000 0.203 684 G HA3 -0.267 3.693 3.960 0.000 0.000 0.203 684 G C 0.155 175.058 174.900 0.006 0.000 0.993 684 G CA 0.174 45.268 45.100 -0.010 0.000 0.661 684 G HN 0.582 nan 8.290 nan 0.000 0.518 685 Q N 0.541 120.347 119.800 0.010 0.000 2.288 685 Q HA 0.632 4.972 4.340 0.000 0.000 0.254 685 Q C 0.845 176.868 176.000 0.038 0.000 0.932 685 Q CA 0.080 55.899 55.803 0.027 0.000 0.902 685 Q CB 0.896 29.655 28.738 0.035 0.000 1.203 685 Q HN 0.938 nan 8.270 nan 0.000 0.415 686 A N 4.875 127.719 122.820 0.040 0.000 2.561 686 A HA 0.023 4.343 4.320 0.000 0.000 0.251 686 A C 0.414 178.032 177.584 0.057 0.000 1.062 686 A CA 0.344 52.408 52.037 0.045 0.000 0.761 686 A CB 0.020 19.045 19.000 0.042 0.000 0.986 686 A HN 0.948 nan 8.150 nan 0.000 0.510 687 L N 2.230 123.494 121.223 0.068 0.000 2.296 687 L HA 0.129 4.469 4.340 0.000 0.000 0.193 687 L C 1.121 178.027 176.870 0.060 0.000 1.123 687 L CA 0.824 55.716 54.840 0.086 0.000 0.805 687 L CB -0.612 41.529 42.059 0.135 0.000 1.004 687 L HN 0.952 nan 8.230 nan 0.000 0.478 688 C N -2.667 116.666 119.300 0.055 0.000 3.256 688 C HA 0.806 5.266 4.460 0.000 0.000 0.361 688 C C -0.184 174.829 174.990 0.038 0.000 1.665 688 C CA -0.638 58.404 59.018 0.041 0.000 1.445 688 C CB 1.682 29.444 27.740 0.037 0.000 2.144 688 C HN 0.262 nan 8.230 nan 0.000 0.448 689 T N 1.302 115.876 114.554 0.033 0.000 3.170 689 T HA 0.480 4.830 4.350 0.000 0.000 0.315 689 T C -0.790 173.927 174.700 0.028 0.000 0.967 689 T CA 0.062 62.181 62.100 0.032 0.000 1.024 689 T CB 0.438 69.326 68.868 0.034 0.000 1.018 689 T HN 0.583 nan 8.240 nan 0.000 0.449 690 I N 2.279 122.866 120.570 0.027 0.000 2.385 690 I HA 0.396 4.566 4.170 0.000 0.000 0.294 690 I C 0.584 176.715 176.117 0.023 0.000 0.988 690 I CA -0.778 60.536 61.300 0.024 0.000 1.265 690 I CB 1.465 39.479 38.000 0.023 0.000 1.388 690 I HN 0.522 nan 8.210 nan 0.000 0.480 691 E N 4.428 124.640 120.200 0.021 0.000 2.130 691 E HA 0.436 4.786 4.350 0.000 0.000 0.284 691 E C 0.225 176.835 176.600 0.018 0.000 1.018 691 E CA -0.194 56.218 56.400 0.020 0.000 0.817 691 E CB 1.362 31.074 29.700 0.019 0.000 1.078 691 E HN 0.767 nan 8.360 nan 0.000 0.396 692 A N 4.827 127.658 122.820 0.017 0.000 1.858 692 A HA 0.106 4.426 4.320 0.000 0.000 0.215 692 A C 0.926 178.518 177.584 0.014 0.000 1.320 692 A CA 0.718 52.764 52.037 0.016 0.000 0.601 692 A CB 0.206 19.215 19.000 0.016 0.000 0.976 692 A HN 0.707 nan 8.150 nan 0.000 0.470 693 M N -0.435 119.173 119.600 0.014 0.000 3.124 693 M HA 0.263 4.743 4.480 0.000 0.000 0.298 693 M C -0.872 175.435 176.300 0.013 0.000 1.403 693 M CA -0.222 55.085 55.300 0.012 0.000 0.651 693 M CB 1.203 33.810 32.600 0.011 0.000 1.412 693 M HN 0.275 nan 8.290 nan 0.000 0.477 694 K N -0.462 119.947 120.400 0.014 0.000 3.299 694 K HA -0.114 4.206 4.320 0.000 0.000 0.284 694 K C -0.886 175.723 176.600 0.016 0.000 1.235 694 K CA 0.675 56.970 56.287 0.014 0.000 0.833 694 K CB -1.421 31.087 32.500 0.013 0.000 1.330 694 K HN 0.600 nan 8.250 nan 0.000 0.510 695 M N 0.311 119.921 119.600 0.017 0.000 2.378 695 M HA 0.321 4.801 4.480 0.000 0.000 0.289 695 M C -1.255 175.057 176.300 0.021 0.000 1.136 695 M CA -0.323 54.989 55.300 0.019 0.000 0.917 695 M CB 1.891 34.502 32.600 0.018 0.000 1.669 695 M HN 0.123 nan 8.290 nan 0.000 0.461 696 E N 2.200 122.415 120.200 0.024 0.000 2.174 696 E HA 0.409 4.759 4.350 0.000 0.000 0.282 696 E C -1.172 175.444 176.600 0.028 0.000 0.992 696 E CA -0.361 56.055 56.400 0.027 0.000 0.803 696 E CB 0.837 30.556 29.700 0.031 0.000 1.090 696 E HN 0.562 nan 8.360 nan 0.000 0.396 697 N N 2.887 121.604 118.700 0.027 0.000 2.443 697 N HA 0.316 5.056 4.740 0.000 0.000 0.269 697 N C -0.936 174.593 175.510 0.030 0.000 0.985 697 N CA -0.399 52.668 53.050 0.028 0.000 0.921 697 N CB 1.256 39.758 38.487 0.025 0.000 1.195 697 N HN 0.332 nan 8.380 nan 0.000 0.492 698 I N 2.875 123.464 120.570 0.032 0.000 2.337 698 I HA 0.173 4.343 4.170 0.000 0.000 0.291 698 I C -0.206 175.931 176.117 0.034 0.000 1.046 698 I CA -0.444 60.877 61.300 0.035 0.000 1.324 698 I CB 0.500 38.523 38.000 0.038 0.000 1.409 698 I HN 0.291 nan 8.210 nan 0.000 0.494 699 L N 7.959 129.205 121.223 0.037 0.000 2.334 699 L HA 0.537 4.877 4.340 0.000 0.000 0.277 699 L C 0.053 176.948 176.870 0.043 0.000 1.075 699 L CA -0.470 54.394 54.840 0.039 0.000 0.804 699 L CB 0.898 42.984 42.059 0.045 0.000 1.174 699 L HN 0.632 nan 8.230 nan 0.000 0.438 700 R N 2.371 122.890 120.500 0.033 0.000 2.771 700 R HA 0.754 5.094 4.340 0.000 0.000 0.274 700 R C -0.982 175.317 176.300 -0.001 0.000 0.987 700 R CA -1.088 55.029 56.100 0.027 0.000 0.908 700 R CB 1.337 31.648 30.300 0.019 0.000 1.213 700 R HN 0.549 nan 8.270 nan 0.000 0.468 701 A N 1.356 124.168 122.820 -0.013 0.000 2.566 701 A HA -0.055 4.265 4.320 0.000 0.000 0.245 701 A C 0.959 178.473 177.584 -0.117 0.000 1.056 701 A CA 0.159 52.133 52.037 -0.105 0.000 0.757 701 A CB 0.051 18.996 19.000 -0.092 0.000 0.979 701 A HN 1.000 nan 8.150 nan 0.000 0.508 702 E N 1.947 122.045 120.200 -0.171 0.000 2.047 702 E HA -0.103 4.247 4.350 0.000 0.000 0.191 702 E C 0.594 177.124 176.600 -0.117 0.000 0.987 702 E CA 1.816 58.141 56.400 -0.125 0.000 0.799 702 E CB 0.009 29.629 29.700 -0.134 0.000 0.752 702 E HN 0.787 nan 8.360 nan 0.000 0.449 703 K N -0.590 119.713 120.400 -0.162 0.000 2.482 703 K HA 0.404 4.724 4.320 0.000 0.000 0.257 703 K C -1.137 175.383 176.600 -0.133 0.000 0.969 703 K CA -1.047 55.168 56.287 -0.119 0.000 0.842 703 K CB 1.540 33.979 32.500 -0.102 0.000 1.359 703 K HN -0.251 nan 8.250 nan 0.000 0.441 704 K N 0.522 120.878 120.400 -0.073 0.000 2.489 704 K HA 0.339 4.659 4.320 0.000 0.000 0.278 704 K C 0.223 176.795 176.600 -0.046 0.000 1.000 704 K CA 0.336 56.598 56.287 -0.043 0.000 1.012 704 K CB 0.481 32.975 32.500 -0.010 0.000 0.903 704 K HN 0.841 nan 8.250 nan 0.000 0.485 705 G N 0.301 109.097 108.800 -0.006 0.000 2.489 705 G HA2 0.439 4.399 3.960 0.000 0.000 0.305 705 G HA3 0.439 4.399 3.960 0.000 0.000 0.305 705 G C -1.753 173.255 174.900 0.180 0.000 1.311 705 G CA -0.771 44.362 45.100 0.055 0.000 0.813 705 G HN 0.356 nan 8.290 nan 0.000 0.480 706 V N 0.216 120.287 119.914 0.261 0.000 2.588 706 V HA 0.476 4.596 4.120 0.000 0.000 0.304 706 V C 0.298 176.514 176.094 0.204 0.000 1.042 706 V CA -0.764 61.665 62.300 0.215 0.000 0.877 706 V CB 1.723 33.607 31.823 0.101 0.000 0.996 706 V HN 0.690 nan 8.190 nan 0.000 0.425 707 V N 4.625 124.547 119.914 0.014 0.000 2.458 707 V HA 0.162 4.282 4.120 0.000 0.000 0.287 707 V C 1.230 177.195 176.094 -0.214 0.000 1.009 707 V CA 1.090 63.189 62.300 -0.335 0.000 1.091 707 V CB 0.353 32.009 31.823 -0.279 0.000 0.960 707 V HN 1.127 nan 8.190 nan 0.000 0.476 708 A N 6.116 128.781 122.820 -0.259 0.000 1.849 708 A HA 0.182 4.502 4.320 0.000 0.000 0.214 708 A C 0.857 178.357 177.584 -0.140 0.000 1.269 708 A CA 1.049 53.008 52.037 -0.130 0.000 0.605 708 A CB 0.092 19.042 19.000 -0.083 0.000 0.937 708 A HN 0.848 nan 8.150 nan 0.000 0.461 709 K N -1.293 119.005 120.400 -0.171 0.000 2.482 709 K HA 0.760 5.080 4.320 0.000 0.000 0.257 709 K C -1.543 174.963 176.600 -0.156 0.000 0.969 709 K CA -0.664 55.544 56.287 -0.131 0.000 0.842 709 K CB 1.729 34.181 32.500 -0.080 0.000 1.359 709 K HN 0.231 nan 8.250 nan 0.000 0.441 710 I N 1.534 122.036 120.570 -0.112 0.000 2.693 710 I HA 0.312 4.482 4.170 0.000 0.000 0.303 710 I C -0.625 175.458 176.117 -0.057 0.000 1.025 710 I CA -1.158 60.086 61.300 -0.094 0.000 1.086 710 I CB 1.947 39.900 38.000 -0.078 0.000 1.268 710 I HN 0.813 nan 8.210 nan 0.000 0.440 711 N N 4.732 123.408 118.700 -0.041 0.000 2.639 711 N HA 0.563 5.303 4.740 0.000 0.000 0.265 711 N C -1.153 174.348 175.510 -0.015 0.000 1.689 711 N CA -0.374 52.661 53.050 -0.026 0.000 0.813 711 N CB 1.732 40.206 38.487 -0.022 0.000 1.353 711 N HN 0.637 nan 8.380 nan 0.000 0.510 712 A N 0.112 122.923 122.820 -0.015 0.000 2.571 712 A HA 0.688 5.008 4.320 0.000 0.000 0.296 712 A C -1.145 176.434 177.584 -0.007 0.000 1.005 712 A CA -0.313 51.720 52.037 -0.007 0.000 0.682 712 A CB 0.615 19.615 19.000 -0.001 0.000 1.292 712 A HN 0.556 nan 8.150 nan 0.000 0.420 713 S N 0.171 115.869 115.700 -0.003 0.000 2.752 713 S HA 0.925 5.395 4.470 0.000 0.000 0.284 713 S C 0.328 174.930 174.600 0.003 0.000 1.189 713 S CA -0.200 57.999 58.200 -0.002 0.000 0.835 713 S CB 0.667 63.864 63.200 -0.005 0.000 1.192 713 S HN 2.560 nan 8.310 nan 0.000 0.506 714 A N -0.149 122.674 122.820 0.004 0.000 2.615 714 A HA 0.451 4.771 4.320 0.000 0.000 0.230 714 A C 1.706 179.294 177.584 0.007 0.000 1.062 714 A CA 0.815 52.856 52.037 0.007 0.000 0.758 714 A CB -1.571 17.433 19.000 0.007 0.000 0.995 714 A HN 2.668 nan 8.150 nan 0.000 0.511 715 G N 1.288 110.093 108.800 0.009 0.000 2.353 715 G HA2 -0.324 3.636 3.960 0.000 0.000 0.258 715 G HA3 -0.324 3.636 3.960 0.000 0.000 0.258 715 G C 0.385 175.289 174.900 0.007 0.000 1.013 715 G CA 0.776 45.880 45.100 0.008 0.000 0.622 715 G HN 1.040 nan 8.290 nan 0.000 0.535 716 N N 0.893 119.597 118.700 0.007 0.000 2.374 716 N HA 0.466 5.206 4.740 0.000 0.000 0.241 716 N C -0.133 175.382 175.510 0.008 0.000 1.262 716 N CA 0.985 54.039 53.050 0.006 0.000 0.880 716 N CB 0.769 39.260 38.487 0.005 0.000 1.105 716 N HN 0.278 nan 8.380 nan 0.000 0.438 717 S N 0.984 116.689 115.700 0.008 0.000 2.774 717 S HA 0.493 4.963 4.470 0.000 0.000 0.297 717 S C -0.589 174.016 174.600 0.009 0.000 1.143 717 S CA -0.855 57.350 58.200 0.009 0.000 1.090 717 S CB 0.043 63.248 63.200 0.008 0.000 1.019 717 S HN 0.394 nan 8.310 nan 0.000 0.482 718 L N 0.824 122.054 121.223 0.011 0.000 2.333 718 L HA 1.045 5.385 4.340 0.000 0.000 0.269 718 L C 0.222 177.099 176.870 0.012 0.000 1.010 718 L CA -1.255 53.592 54.840 0.011 0.000 0.818 718 L CB 1.205 43.271 42.059 0.012 0.000 1.306 718 L HN 0.567 nan 8.230 nan 0.000 0.430 719 A N 1.465 124.292 122.820 0.011 0.000 2.336 719 A HA 0.652 4.972 4.320 0.000 0.000 0.291 719 A C 0.091 177.683 177.584 0.013 0.000 1.266 719 A CA -0.518 51.526 52.037 0.011 0.000 0.891 719 A CB 0.858 19.864 19.000 0.010 0.000 1.366 719 A HN 0.550 nan 8.150 nan 0.000 0.507 720 V N -0.016 119.905 119.914 0.012 0.000 3.237 720 V HA 0.158 4.278 4.120 0.000 0.000 0.305 720 V C 0.897 176.999 176.094 0.014 0.000 1.096 720 V CA 1.558 63.867 62.300 0.014 0.000 1.130 720 V CB 0.318 32.149 31.823 0.012 0.000 1.048 720 V HN 1.017 nan 8.190 nan 0.000 0.484 721 D N 0.459 120.869 120.400 0.016 0.000 2.601 721 D HA -0.174 4.466 4.640 0.000 0.000 0.180 721 D C 0.310 176.622 176.300 0.019 0.000 1.213 721 D CA 1.724 55.734 54.000 0.018 0.000 1.112 721 D CB -0.962 39.847 40.800 0.015 0.000 1.132 721 D HN 0.836 nan 8.370 nan 0.000 0.418 722 D N 0.677 121.088 120.400 0.017 0.000 2.581 722 D HA 0.092 4.732 4.640 0.000 0.000 0.238 722 D C 0.304 176.616 176.300 0.021 0.000 1.145 722 D CA 0.156 54.166 54.000 0.016 0.000 0.866 722 D CB 0.512 41.320 40.800 0.014 0.000 1.151 722 D HN -0.023 nan 8.370 nan 0.000 0.500 723 V N 4.588 124.514 119.914 0.021 0.000 2.493 723 V HA -0.054 4.066 4.120 0.000 0.000 0.292 723 V C 1.743 177.849 176.094 0.021 0.000 1.016 723 V CA 0.233 62.550 62.300 0.027 0.000 1.097 723 V CB 0.318 32.155 31.823 0.024 0.000 0.947 723 V HN 0.494 nan 8.190 nan 0.000 0.479 724 I N 4.149 124.737 120.570 0.031 0.000 2.585 724 I HA 0.078 4.248 4.170 0.000 0.000 0.254 724 I C 0.845 176.961 176.117 -0.002 0.000 1.129 724 I CA 1.211 62.524 61.300 0.021 0.000 1.455 724 I CB 0.089 38.112 38.000 0.038 0.000 1.111 724 I HN 0.526 nan 8.210 nan 0.000 0.433 725 M N -0.982 118.619 119.600 0.001 0.000 2.755 725 M HA 0.399 4.879 4.480 0.000 0.000 0.273 725 M C -1.392 174.855 176.300 -0.089 0.000 1.278 725 M CA -0.550 54.693 55.300 -0.095 0.000 0.819 725 M CB 3.134 35.625 32.600 -0.181 0.000 1.694 725 M HN -0.179 nan 8.290 nan 0.000 0.460 726 E N 0.495 120.554 120.200 -0.234 0.000 2.317 726 E HA 0.654 5.004 4.350 0.000 0.000 0.270 726 E C -1.854 174.538 176.600 -0.347 0.000 0.885 726 E CA -0.561 55.766 56.400 -0.122 0.000 0.760 726 E CB 2.879 32.544 29.700 -0.059 0.000 1.227 726 E HN 0.316 nan 8.360 nan 0.000 0.434 727 F N 1.098 121.050 119.950 0.003 0.000 2.546 727 F HA 0.206 4.733 4.527 -0.000 0.000 0.320 727 F C 0.944 176.745 175.800 0.003 0.000 1.076 727 F CA -0.896 57.106 58.000 0.003 0.000 0.928 727 F CB 1.428 40.431 39.000 0.004 0.000 1.189 727 F HN 0.388 nan 8.300 nan 0.000 0.465 728 E N 0.000 120.293 120.200 0.155 0.000 2.725 728 E HA 0.000 4.350 4.350 0.000 0.000 0.291 728 E CA 0.000 56.454 56.400 0.090 0.000 0.976 728 E CB 0.000 29.733 29.700 0.054 0.000 0.812 728 E HN 0.000 nan 8.360 nan 0.000 0.440