NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1562 7.8976 114.0592 60.9448 33.1095 175.8868 2 D 4.2650 8.6839 119.8418 56.2597 39.3614 175.5265 3 N 4.7699 8.2966 115.5898 53.0146 39.9193 177.5823 4 K 3.8678 8.2602 122.7208 59.7040 31.9429 178.7087 5 F 4.2523 8.5336 114.3512 60.0018 37.7001 176.7972 6 N 3.7581 6.1543 116.8812 55.9216 38.6678 176.5589 7 K 3.8098 8.1214 121.4294 59.6295 32.0523 178.6593 8 E 4.1046 8.8372 119.1984 59.1737 29.2649 178.9108 9 L 4.0882 8.9545 121.8414 58.1488 42.1205 179.4152 10 G 3.6590 8.6151 106.1429 47.3757 0.0000 175.7017 11 W 4.8321 8.6344 130.9962 60.4845 30.7995 177.9052 12 A 4.1398 9.1147 123.1930 54.8451 17.6672 179.5804 13 T 3.9122 7.8378 114.2134 66.6634 68.5693 176.5577 14 W 3.9671 8.2765 129.9998 60.5395 30.2956 177.8434 15 E 3.7101 8.5245 118.9180 59.4320 28.8966 179.5164 16 I 3.7438 8.1656 120.3233 64.1616 36.9209 178.2237 17 F 3.8882 8.2511 121.1923 60.7836 39.2479 175.9853 18 N 4.5195 7.9490 113.3463 51.9669 38.9027 175.2550 19 L 4.0479 6.9096 121.6237 54.4088 42.0971 175.2150 20 P 4.6408 0.0000 0.0000 62.9677 31.1163 176.6298 21 N 4.9697 8.5136 113.5437 52.7515 42.0919 174.5806 22 L 4.2828 7.7524 118.5458 54.2464 42.7604 176.6094 23 N 4.8654 8.3473 119.4941 51.4632 40.5451 176.1488 24 G 3.7031 8.5243 107.4619 48.1800 0.0000 176.0782 25 V 3.4880 7.5426 119.4793 65.9388 31.7791 177.9903 26 Q 3.4496 8.7669 118.0848 58.7318 28.4479 179.0432 27 V 3.7924 7.8333 119.2302 66.0282 31.6168 177.9686 28 K 3.9282 7.9965 119.1218 59.3704 31.8895 178.6710 29 A 3.8874 8.2027 121.4672 55.0938 18.2344 179.6401 30 F 4.4004 8.1152 116.7000 60.7520 38.9428 178.0431 31 I 3.8372 8.3188 119.9013 64.4891 36.8638 178.0716 32 D 4.4215 8.4606 120.0665 57.7294 40.6424 179.2335 33 S 4.1754 8.7852 115.8871 61.3373 62.2407 176.7275 34 L 4.1881 8.3535 122.1746 57.9986 41.2390 179.6895 35 R 4.0048 8.2385 116.7793 59.4968 30.1331 178.4006 36 D 4.7626 8.1977 116.6826 56.1558 41.7483 175.5818 37 D 4.5846 8.4311 119.1316 51.3477 42.2320 173.1031 38 P 4.6789 0.0000 0.0000 64.7137 31.3308 178.4617 39 S 4.2185 8.2067 113.0609 61.1904 63.0297 175.3178 40 Q 4.3100 8.3640 120.6167 56.3800 28.8332 177.1288 41 S 4.1426 8.3181 115.7232 62.7295 62.6374 176.5048 42 A 3.9993 7.9948 123.4918 54.9936 18.1945 179.2260 43 N 4.3281 7.9935 114.5944 56.3139 38.6663 177.5470 44 L 4.0328 8.1169 120.7812 57.5130 41.7589 179.1665 45 L 3.7655 8.2416 120.5303 57.8207 41.8898 178.9457 46 A 3.8741 8.0449 121.1827 55.2197 18.2799 179.4587 47 E 3.7931 8.4113 117.2016 59.2844 29.0566 179.5717 48 A 3.1266 7.4285 120.9501 54.8652 18.3674 179.8726 49 K 3.8831 8.2104 117.2535 59.3176 31.9711 179.5669 50 K 3.9627 8.1011 120.3171 59.3117 32.1213 179.0220 51 L 4.0555 8.4697 119.9986 57.6931 41.6194 178.9597 52 N 4.2751 9.2794 117.8121 56.7565 38.7122 176.4170 53 D 4.2962 8.1696 118.3766 57.3050 41.3741 177.7112 54 A 4.1400 8.0692 120.7719 54.9883 18.5172 178.8311 55 Q 4.2231 8.2808 113.7787 55.6795 29.3235 175.9945 56 A 4.7758 7.3826 123.0117 49.4111 20.2286 175.0927 57 P 4.6816 0.0000 0.0000 62.1552 32.7275 176.6554 58 K 4.1606 8.1480 116.9212 56.7734 33.0950 176.5275 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 V 7.90 4.16 2.09 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 0.77 0.00 0.00 0.95 0.00 0.00 2 D 8.68 4.26 0.00 2.94 2.85 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 8.30 4.77 0.00 2.75 2.72 0.00 0.00 6.84 7.74 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 4 K 8.26 3.87 0.00 2.10 1.91 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.67 1.48 7.81 5 F 8.53 4.25 0.00 3.36 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 N 6.15 3.76 0.00 1.82 2.54 0.00 0.00 6.65 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.12 3.81 0.00 1.80 1.83 0.00 1.57 0.00 0.00 1.51 0.00 0.00 2.77 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.26 1.30 7.81 8 E 8.84 4.10 0.00 2.26 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 0.00 2.41 2.49 0.00 9 L 8.95 4.09 0.00 1.73 1.70 1.05 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 10 G 8.62 3.66 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 0.00 0.00 0.00 11 W 8.63 4.83 0.00 3.51 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 12 A 9.11 4.14 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 13 T 7.84 3.91 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 14 W 8.28 3.97 0.00 3.47 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.52 3.71 0.00 1.96 1.80 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 1.88 1.63 0.00 16 I 8.17 3.74 2.15 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.02 1.11 0.00 0.00 17 F 8.25 3.89 0.00 3.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.95 4.52 0.00 2.46 2.67 0.00 0.00 7.09 8.10 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 19 L 6.91 4.05 0.00 1.79 1.71 0.86 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.64 0.00 2.01 2.02 0.00 3.85 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 21 N 8.51 4.97 0.00 2.82 2.75 0.00 0.00 7.30 6.58 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 22 L 7.75 4.28 0.00 1.64 1.68 1.08 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.35 4.87 0.00 2.85 2.90 0.00 0.00 5.90 6.86 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 24 G 8.52 3.70 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 0.00 0.00 0.00 25 V 7.54 3.49 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.87 0.00 0.00 26 Q 8.77 3.45 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.22 2.18 0.00 27 V 7.83 3.79 1.97 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 1.09 0.00 0.00 0.98 0.00 0.00 28 K 8.00 3.93 0.00 1.99 1.88 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.62 1.47 7.81 29 A 8.20 3.89 0.99 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 0.00 0.00 30 F 8.12 4.40 0.00 3.24 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.32 3.84 2.13 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.90 1.00 0.00 0.00 32 D 8.46 4.42 0.00 2.85 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.79 4.18 0.00 4.12 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 34 L 8.35 4.19 0.00 1.96 1.80 1.09 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.24 4.00 0.00 1.77 2.04 0.00 3.21 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.82 0.00 36 D 8.20 4.76 0.00 2.76 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 37 D 8.43 4.58 0.00 2.61 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.68 0.00 2.57 2.27 0.00 4.00 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.18 0.00 39 S 8.21 4.22 0.00 4.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.36 4.31 0.00 2.44 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 41 S 8.32 4.14 0.00 4.15 4.34 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 42 A 7.99 4.00 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 43 N 7.99 4.33 0.00 2.88 2.90 0.00 0.00 7.19 6.75 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 44 L 8.12 4.03 0.00 1.88 1.86 1.13 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.24 3.77 0.00 1.70 1.76 0.80 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.04 3.87 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.41 3.79 0.00 1.80 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 0.00 2.52 2.57 0.00 48 A 7.43 3.13 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.21 3.88 0.00 1.81 1.81 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.54 7.81 50 K 8.10 3.96 0.00 1.87 1.94 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 51 L 8.47 4.06 0.00 2.06 1.87 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 52 N 9.28 4.28 0.00 2.81 2.97 0.00 0.00 6.84 8.34 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 53 D 8.17 4.30 0.00 2.72 2.80 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 54 A 8.07 4.14 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 55 Q 8.28 4.22 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 56 A 7.38 4.78 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.68 0.00 2.16 2.06 0.00 3.44 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.08 0.00 58 K 8.15 4.16 0.00 1.69 1.66 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.32 1.35 7.81