NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 R 4.1477 8.2544 119.0422 56.1286 31.3974 174.6734 10 V 4.1578 7.1102 118.7069 61.1792 33.4956 173.4818 11 F 4.9020 8.6804 125.5630 55.5725 44.1019 173.2685 12 A 4.4692 8.9766 124.3007 52.0524 19.3616 176.1604 13 A 4.8546 8.5975 124.5660 50.3527 20.2832 176.4965 14 E 4.2252 9.1398 123.0469 59.1413 30.6385 177.0868 15 S 4.4326 7.4394 110.9053 57.5682 66.1464 174.0680 16 I 4.1944 8.1564 121.8410 60.8760 37.2739 175.8688 17 I 4.2065 8.6946 128.2785 63.2848 38.1987 176.1787 18 K 4.9460 7.4489 118.5650 55.1144 36.8188 175.0553 19 R 5.2712 8.8827 121.6119 54.7930 33.1536 174.4703 20 R 4.7494 9.2259 119.9060 54.6760 33.8308 173.6578 21 I 4.9169 8.2612 121.8172 60.2014 39.4617 176.3706 22 R 4.4455 8.5885 125.6277 55.2172 33.5670 170.9023 23 K 4.1087 8.5144 122.9982 57.1069 29.4774 177.0270 24 G 4.0993 8.6997 115.1335 46.2172 0.0000 172.4667 25 R 4.5971 7.4125 117.6941 53.7991 32.8890 175.0520 26 I 4.3741 8.0688 122.7775 60.8673 38.6642 174.6759 27 E 5.1733 9.2391 126.0005 54.6721 33.5980 174.4506 28 Y 5.2143 9.1882 120.0284 56.1129 42.0338 174.5554 29 L 4.0198 8.7027 126.0456 53.9574 43.3656 175.2945 30 V 4.1414 8.1967 127.8430 60.7721 33.4487 174.5384 31 K 4.2964 8.2801 130.2857 55.2498 33.2775 175.6276 32 W 5.0109 8.5763 127.5432 55.4017 30.9501 175.8335 33 K 4.5298 8.6657 125.7895 56.9506 32.1627 177.3964 34 G 4.0240 9.2927 113.3336 45.4377 0.0000 172.9334 35 W 4.7847 7.9651 118.1893 54.0258 31.9753 175.5671 36 A 4.1787 8.9067 124.3611 52.3968 18.6971 178.4625 37 I 3.6268 8.6128 122.0149 64.5364 37.3853 178.1464 38 K 3.5878 7.9100 119.4946 59.6072 31.7545 176.3908 39 Y 4.8536 7.5556 114.2275 58.0777 38.1473 175.6973 40 S 4.6994 8.1926 117.8255 59.1200 64.1611 173.4914 41 T 4.9077 8.3713 111.6584 59.5785 72.4600 172.9447 42 W 4.9051 8.8799 123.6015 56.8254 29.9830 175.5075 43 E 5.0357 9.7045 124.5727 53.3749 33.1309 173.7024 44 P 4.7189 0.0000 0.0000 63.1205 31.8429 177.0186 45 E 4.3413 9.0935 120.6045 59.4943 29.5390 179.0609 46 E 4.0037 8.2614 116.0930 58.5788 29.5568 177.1538 47 N 4.6421 8.3247 115.8985 53.8321 39.0076 175.8552 48 I 4.1140 7.6186 120.2573 60.3431 35.7694 175.5343 49 L 4.0558 8.3410 125.6739 56.7883 42.1904 177.2175 50 D 4.7156 7.8767 119.3593 52.5742 41.7630 176.9272 51 S 4.2036 8.6503 122.7953 61.4577 62.9133 176.4957 52 R 3.9917 8.2032 121.6156 58.7621 29.6345 178.9270 53 L 3.9043 7.7977 119.2873 57.8060 41.5971 179.5172 54 I 3.5490 7.5281 118.9983 64.0821 36.8066 177.9609 55 A 3.9907 7.9705 121.4679 55.3344 17.9418 179.5661 56 A 4.0571 7.8140 118.0984 54.8359 18.5276 179.2258 57 F 4.1883 7.9131 118.4609 60.0089 39.5464 174.6320 58 E 5.0362 7.5897 121.9815 56.4331 31.6380 176.0775 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 9 R 8.25 4.15 0.00 1.85 1.88 0.00 3.20 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 10 V 7.11 4.16 1.90 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 0.95 0.00 0.00 0.86 0.00 0.00 11 F 8.68 4.90 0.00 2.72 2.87 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 0.00 0.00 0.00 0.00 12 A 8.98 4.47 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 13 A 8.60 4.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 9.14 4.23 0.00 1.93 1.99 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 2.36 2.32 0.00 15 S 7.44 4.43 0.00 3.80 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.16 4.19 1.57 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.23 0.08 0.00 0.00 17 I 8.69 4.21 1.67 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.44 0.86 0.00 0.00 18 K 7.45 4.95 0.00 1.58 1.89 0.00 1.78 0.00 0.00 1.92 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.49 7.81 19 R 8.88 5.27 0.00 1.88 1.97 0.00 3.14 0.00 0.00 3.57 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.95 0.00 20 R 9.23 4.75 0.00 1.49 1.56 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.12 0.00 21 I 8.26 4.92 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.61 0.89 0.00 0.00 22 R 8.59 4.45 0.00 1.65 1.73 0.00 3.36 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.45 0.00 23 K 8.51 4.11 0.00 1.85 1.48 0.00 1.53 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.45 7.81 24 G 8.70 4.10 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 0.00 25 R 7.41 4.60 0.00 1.90 1.76 0.00 3.27 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 26 I 8.07 4.37 1.75 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 1.23 0.83 0.34 0.00 0.00 27 E 9.24 5.17 0.00 1.67 1.90 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 2.19 2.15 0.00 28 Y 9.19 5.21 0.00 2.74 2.52 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 0.00 0.00 0.00 0.00 29 L 8.70 4.02 0.00 0.27 0.72 -0.03 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.20 4.14 1.18 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 -0.58 0.00 0.00 0.67 0.00 0.00 31 K 8.28 4.30 0.00 1.77 1.66 0.00 1.64 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.36 7.81 32 W 8.58 5.01 0.00 3.31 2.99 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 K 8.67 4.53 0.00 1.82 1.89 0.00 1.77 0.00 0.00 1.62 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.56 1.54 7.81 34 G 9.29 4.02 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 0.00 35 W 7.97 4.78 0.00 3.53 3.36 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 36 A 8.91 4.18 1.18 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 I 8.61 3.63 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.56 0.85 0.00 0.00 38 K 7.91 3.59 0.00 1.38 0.92 0.00 1.65 0.00 0.00 1.42 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.21 1.34 7.81 39 Y 7.56 4.85 0.00 3.31 2.93 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 S 8.19 4.70 0.00 3.62 3.61 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 T 8.37 4.91 4.44 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 1.27 0.00 0.00 42 W 8.88 4.91 0.00 3.25 3.13 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 E 9.70 5.04 0.00 1.91 1.93 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 2.54 2.61 0.00 44 P 0.00 4.72 0.00 2.45 2.23 0.00 3.81 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.04 0.00 45 E 9.09 4.34 0.00 2.45 2.40 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 2.32 2.33 0.00 46 E 8.26 4.00 0.00 2.13 2.17 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 0.00 2.32 2.32 0.00 47 N 8.32 4.64 0.00 2.99 3.03 0.00 0.00 7.01 7.21 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 48 I 7.62 4.11 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.66 0.76 0.00 0.00 49 L 8.34 4.06 0.00 1.67 1.75 0.96 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 50 D 7.88 4.72 0.00 2.68 2.53 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 51 S 8.65 4.20 0.00 4.08 4.11 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 52 R 8.20 3.99 0.00 1.98 2.01 0.00 3.12 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 53 L 7.80 3.90 0.00 1.69 1.52 0.83 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.53 3.55 1.80 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.18 0.95 0.00 0.00 55 A 7.97 3.99 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 56 A 7.81 4.06 1.34 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 57 F 7.91 4.19 0.00 2.93 3.22 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 0.00 0.00 0.00 0.00 58 E 7.59 5.04 0.00 1.81 1.78 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 2.00 1.91 0.00