NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3895 8.1927 115.2898 57.9072 63.9176 173.8695 2 S 3.8802 8.7886 122.3105 61.3760 62.1467 174.9359 3 N 4.2961 8.5198 120.5307 56.3051 38.7622 176.6239 4 A 3.9730 7.9629 121.6454 55.1042 18.5035 179.4733 5 K 3.9292 8.6889 118.4653 59.5497 32.2216 179.2407 6 I 3.7346 7.9905 120.3453 64.4452 37.1286 178.1575 7 D 4.3408 8.4230 120.1155 57.3451 40.5710 178.6115 8 Q 3.9774 8.2679 120.1455 59.2066 28.9763 178.3188 9 L 4.1290 8.1184 120.0471 57.7535 41.5776 179.6434 10 S 4.1000 8.2458 115.3294 61.7083 62.8192 176.7329 11 S 4.1068 8.0073 115.5115 61.3371 62.0290 175.8423 12 D 4.3540 8.3220 121.8330 57.3591 40.5003 178.8946 13 V 3.5726 8.0521 118.9115 66.1693 31.6469 178.0598 14 Q 3.9853 8.0756 117.7244 59.3069 28.5599 179.0007 15 T 3.9014 8.0197 116.6967 66.6509 68.5047 176.7844 16 L 4.0373 8.2477 121.1718 57.7354 41.5416 179.2407 17 N 4.3228 8.4891 116.5462 56.2793 38.4695 177.3234 18 A 3.9790 7.9010 121.6262 55.1469 18.5306 179.8845 19 K 3.9483 8.1450 117.0764 59.4529 32.1081 179.8735 20 V 3.5945 8.3709 118.9211 66.1802 31.4969 177.9268 21 D 4.3789 8.3024 118.7849 57.3277 40.6231 178.5889 22 Q 3.9677 8.1992 120.0780 58.9963 29.0387 178.0061 23 A 4.0285 8.1512 121.9860 54.9997 18.3484 179.6249 24 S 4.0318 8.0695 111.7766 61.4824 62.4983 175.9944 25 N 4.3125 8.1230 119.2341 56.6184 38.2923 177.1248 26 D 4.3563 8.2210 119.8827 57.2253 40.7954 178.7931 27 A 3.9825 8.0933 121.3609 55.3072 18.4479 179.5243 28 N 4.2964 8.6975 115.2761 56.1498 38.4625 177.6478 29 A 3.9634 8.1805 122.1350 55.1270 18.4363 179.5478 30 A 3.9206 8.1715 119.4431 55.1437 18.4226 179.7744 31 R 3.7969 8.3315 117.6275 59.5651 30.1871 178.5690 32 S 4.0415 8.0603 112.7308 61.6536 62.3796 175.7489 33 D 4.3627 8.4153 121.5360 57.4634 40.5050 178.8560 34 A 3.9704 8.3168 121.4581 55.0287 18.3599 179.4657 35 Q 3.8631 8.1819 117.9149 59.2479 29.0794 178.3830 36 A 3.9638 8.1158 121.5160 55.1789 18.4014 179.5040 37 A 3.9132 8.2187 119.5004 55.1699 18.4524 179.7995 38 K 3.9328 8.4241 118.5547 59.6600 32.1783 178.9012 39 D 4.3451 8.1910 119.3459 57.3679 40.7967 178.2338 40 D 4.2872 8.4546 118.6619 57.1967 41.2077 178.1652 41 A 4.0184 8.5257 121.7048 54.9434 18.3652 179.4698 42 A 3.9578 8.0979 119.4730 55.1761 18.4012 179.9059 43 R 3.8107 8.1990 117.2904 59.4662 30.1993 178.6321 44 A 4.0062 8.0887 120.6295 55.3329 18.3413 179.4389 45 N 4.3753 8.3708 114.9396 56.2794 38.6064 177.8039 46 Q 3.9809 8.0871 119.7863 59.0095 28.5917 178.8681 47 R 3.9499 7.7975 117.9673 59.2278 30.3532 178.8395 48 L 4.1409 8.0319 118.8006 57.8907 41.3950 179.1571 49 D 4.3939 8.0213 117.9795 57.3272 40.7381 177.8784 50 N 4.6440 8.0687 114.5310 54.1867 38.5320 176.8084 51 M 4.2360 7.9533 120.5807 58.2656 32.3914 176.7737 52 A 4.1229 8.0213 121.2495 55.2802 18.7699 177.1252 53 T 4.1266 7.2360 109.4015 61.9753 68.9997 174.3887 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 S 8.19 4.39 0.00 3.87 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.79 3.88 0.00 4.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 N 8.52 4.30 0.00 2.77 2.85 0.00 0.00 6.91 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 A 7.96 3.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.69 3.93 0.00 1.90 1.99 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.52 7.81 6 I 7.99 3.73 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.65 0.91 0.00 0.00 7 D 8.42 4.34 0.00 2.80 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.27 3.98 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.60 0.00 9 L 8.12 4.13 0.00 1.89 1.70 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.25 4.10 0.00 4.01 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.01 4.11 0.00 3.93 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.32 4.35 0.00 2.88 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.05 3.57 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.95 0.00 0.00 14 Q 8.08 3.99 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 15 T 8.02 3.90 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 16 L 8.25 4.04 0.00 1.83 1.71 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.49 4.32 0.00 2.96 2.87 0.00 0.00 6.88 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.90 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.14 3.95 0.00 1.98 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.59 7.81 20 V 8.37 3.59 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.94 0.00 0.00 21 D 8.30 4.38 0.00 2.76 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.20 3.97 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 23 A 8.15 4.03 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.07 4.03 0.00 3.93 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.12 4.31 0.00 3.00 2.86 0.00 0.00 7.06 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.22 4.36 0.00 2.84 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.09 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.70 4.30 0.00 2.86 2.88 0.00 0.00 6.94 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.18 3.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.17 3.92 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.33 3.80 0.00 2.02 2.12 0.00 3.15 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 32 S 8.06 4.04 0.00 4.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.42 4.36 0.00 2.79 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.32 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.18 3.86 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 36 A 8.12 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.22 3.91 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.42 3.93 0.00 2.03 1.81 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 39 D 8.19 4.35 0.00 3.05 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.45 4.29 0.00 2.87 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.53 4.02 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.10 3.96 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.20 3.81 0.00 1.99 2.13 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 44 A 8.09 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.37 4.38 0.00 2.76 2.88 0.00 0.00 7.05 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 8.09 3.98 0.00 2.37 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 47 R 7.80 3.95 0.00 1.97 1.99 0.00 3.17 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 48 L 8.03 4.14 0.00 1.85 1.71 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.02 4.39 0.00 2.84 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.07 4.64 0.00 2.89 2.84 0.00 0.00 6.62 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 M 7.95 4.24 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 52 A 8.02 4.12 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 7.24 4.13 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00