NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4812 0.0000 0.0000 62.3514 33.6455 174.9126 2 I 4.8689 8.2824 122.7078 59.1270 40.0356 173.0316 3 A 4.7768 9.4652 130.0242 49.9891 22.1728 174.4884 4 Q 4.9264 8.6736 122.6307 54.3758 31.5525 174.3879 5 I 4.4519 8.7452 128.0516 59.8635 39.8401 174.3341 6 H 5.2370 8.7974 124.6059 54.3749 29.7577 174.4277 7 I 4.6437 8.2417 116.3939 58.5952 41.2973 174.8949 8 L 4.6674 8.3298 123.0867 54.3434 42.2334 176.9689 9 E 4.5039 8.0126 120.6724 56.5706 29.9256 175.9758 10 G 3.5680 8.7503 109.3451 45.6145 0.0000 174.5958 11 R 4.4301 7.6308 119.4038 55.2953 31.5875 176.7858 12 S 4.5227 8.2922 116.0252 57.8006 65.5441 175.1987 13 D 4.3913 8.5191 121.6925 57.3858 40.4764 179.0081 14 E 3.9328 8.0740 118.6642 59.6015 29.5484 179.0976 15 Q 4.0187 7.8287 117.6983 59.1066 28.8000 179.2985 16 K 3.9906 8.0144 118.9211 59.1382 32.0092 179.1157 17 E 3.9732 8.1482 119.9896 59.3916 29.4630 179.0561 18 T 3.8832 8.0346 115.9475 66.2914 68.5491 176.3864 19 L 3.9187 8.0597 122.4257 58.4674 42.1176 179.1107 20 I 3.6917 7.7667 119.5111 64.2844 36.9825 178.5362 21 R 3.8668 7.7737 119.0185 59.3871 30.0523 178.1954 22 E 3.9489 8.4425 118.8155 59.6324 29.5084 179.6970 23 V 3.6196 7.9179 118.0699 66.0849 31.5599 178.2393 24 S 4.1502 7.9630 114.5476 61.4486 62.5362 176.6396 25 E 3.9005 8.3794 121.1416 59.3330 29.2863 178.9565 26 A 3.9598 8.0168 120.7756 55.3709 18.4788 179.8404 27 I 3.6489 7.8838 118.0697 64.5786 37.3220 178.6079 28 S 4.0862 8.0084 114.0188 61.2413 62.0551 176.1621 29 R 3.8429 8.6914 121.7270 59.7057 29.7185 178.6002 30 S 4.1033 7.9657 113.4275 61.2212 62.8924 175.4557 31 L 4.3923 7.7478 116.5031 53.6672 42.0224 175.6001 32 D 4.3342 7.4967 117.2503 55.2956 40.0491 172.8546 33 A 4.7789 7.4919 118.6867 48.9070 21.5956 175.7173 34 P 4.2833 0.0000 0.0000 62.6274 32.0347 176.8730 35 L 3.9135 8.9481 125.3035 58.4981 41.9001 178.7934 36 T 4.0769 7.8737 106.2672 63.3804 68.7486 174.6945 37 S 4.4324 8.0987 116.5188 58.9649 63.8778 174.4347 38 V 4.0800 7.5727 122.5363 62.7839 32.1636 175.3600 39 R 4.7084 8.8982 126.3227 54.3230 33.2753 174.6325 40 V 4.8754 8.4812 122.9829 61.0492 34.5434 174.4121 41 I 4.5313 8.9238 128.2726 59.6052 39.9973 174.3261 42 I 4.7511 8.3858 127.7508 59.9765 39.2516 175.3262 43 T 4.4972 8.6865 122.9846 61.7557 71.5072 173.1421 44 E 4.7598 8.7501 126.4181 56.0729 31.5546 175.5220 45 M 4.9037 8.7967 122.5826 53.2037 35.1873 175.7221 46 A 4.5855 8.5644 125.5172 51.7149 19.3300 178.6445 47 K 4.0453 8.6058 120.5949 59.1585 32.2512 178.4058 48 G 4.0689 7.9956 105.4424 45.6356 0.0000 173.4558 49 H 4.9725 8.6120 114.7508 54.9064 29.7745 173.3917 50 F 5.0735 8.1805 122.5249 56.2650 41.5540 173.7053 51 G 4.1932 8.3646 116.2237 43.5108 0.0000 172.0924 52 I 4.1250 8.1718 122.5531 60.0124 39.8125 176.1713 53 G 3.8491 9.6006 113.4922 46.5110 0.0000 174.1515 54 G 3.9324 8.7459 105.7642 44.9004 0.0000 173.7679 55 E 4.7034 7.6652 117.8615 53.6257 33.5741 175.2640 56 L 4.3240 8.4209 121.0376 55.1389 41.9674 178.6362 57 A 4.1208 8.9223 126.0589 54.9894 18.8012 180.2471 58 S 4.1576 8.2004 110.0547 61.5214 63.0743 175.4161 59 K 4.3346 7.5017 116.1352 56.0097 32.0789 177.0908 60 V 3.9863 7.3503 123.7129 63.0056 31.7196 174.8671 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 P 0.00 4.48 0.00 2.09 2.03 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 2 I 8.28 4.87 1.87 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 1.27 0.72 0.90 0.00 0.00 3 A 9.47 4.78 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.67 4.93 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.64 0.00 0.00 0.00 0.00 0.00 2.09 2.23 0.00 5 I 8.75 4.45 1.83 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 1.21 0.58 0.88 0.00 0.00 6 H 8.80 5.24 0.00 2.91 3.10 0.00 5.84 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.24 4.64 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.22 0.86 0.00 0.00 8 L 8.33 4.67 0.00 1.53 1.63 1.01 1.01 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 9 E 8.01 4.50 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.11 0.00 10 G 8.75 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.63 4.43 0.00 1.78 1.85 0.00 3.25 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.86 0.00 12 S 8.29 4.52 0.00 3.99 3.99 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 13 D 8.52 4.39 0.00 2.78 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 3.93 0.00 2.05 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 2.40 2.46 0.00 15 Q 7.83 4.02 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 16 K 8.01 3.99 0.00 1.83 1.84 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.66 7.81 17 E 8.15 3.97 0.00 2.30 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 18 T 8.03 3.88 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 19 L 8.06 3.92 0.00 1.82 1.84 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.77 3.69 2.00 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 1.39 0.97 0.90 0.00 0.00 21 R 7.77 3.87 0.00 1.86 1.90 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 22 E 8.44 3.95 0.00 2.02 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 2.48 2.47 0.00 23 V 7.92 3.62 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.92 0.00 0.00 24 S 7.96 4.15 0.00 4.15 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.38 3.90 0.00 2.09 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 2.48 2.47 0.00 26 A 8.02 3.96 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 27 I 7.88 3.65 1.87 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 1.40 1.21 0.91 0.00 0.00 28 S 8.01 4.09 0.00 3.90 4.09 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.69 3.84 0.00 2.11 1.90 0.00 3.16 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 30 S 7.97 4.10 0.00 3.95 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.75 4.39 0.00 1.66 1.69 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.50 4.33 0.00 2.73 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 33 A 7.49 4.78 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.28 0.00 2.23 2.21 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 35 L 8.95 3.91 0.00 1.73 1.74 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.87 4.08 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 37 S 8.10 4.43 0.00 3.95 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 38 V 7.57 4.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.98 0.00 0.00 39 R 8.90 4.71 0.00 1.81 1.76 0.00 3.16 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 40 V 8.48 4.88 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.92 0.00 0.00 41 I 8.92 4.53 1.84 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 1.21 0.67 0.87 0.00 0.00 42 I 8.39 4.75 1.84 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 1.31 0.52 0.87 0.00 0.00 43 T 8.69 4.50 3.97 0.00 0.00 0.00 0.00 0.00 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 44 E 8.75 4.76 0.00 1.91 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 45 M 8.80 4.90 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.44 0.00 46 A 8.56 4.59 1.10 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 47 K 8.61 4.05 0.00 1.82 1.95 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.45 7.81 48 G 8.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 H 8.61 4.97 0.00 3.30 3.31 0.00 5.62 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.18 5.07 0.00 2.97 2.91 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 51 G 8.36 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.17 4.12 1.68 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.30 0.83 0.00 0.00 53 G 9.60 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 0.00 0.00 0.00 54 G 8.75 3.93 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 0.00 0.00 0.00 55 E 7.67 4.70 0.00 1.97 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 56 L 8.42 4.32 0.00 1.69 1.61 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.92 4.12 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.20 4.16 0.00 4.01 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.50 4.33 0.00 1.81 1.87 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.37 7.81 60 V 7.35 3.99 2.05 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 0.73 0.00 0.00 0.94 0.00 0.00