NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 3.7238 8.0093 121.2518 60.5336 39.1454 175.4077 4 K 4.5218 7.6178 116.7462 54.6583 34.9815 170.1282 5 V 4.6459 8.6823 113.0460 60.5065 36.5020 177.5572 6 R 4.6719 7.9681 120.6304 55.0638 31.7078 173.9608 7 E 3.8809 8.0554 120.2999 55.7527 31.8610 174.9593 8 N 4.7518 8.1881 123.9893 53.7993 36.6331 175.7186 9 E 4.4806 8.8204 123.5236 58.1994 31.2491 174.0315 10 P 4.5101 0.0000 0.0000 60.0272 32.3424 176.7377 11 F 5.0181 8.4295 115.8418 56.2207 38.8922 172.2708 12 D 4.5453 7.9303 129.5009 55.3052 42.3015 177.7657 13 V 3.8339 7.7553 117.5013 61.1540 31.8569 175.8694 14 A 4.0611 8.2477 123.0190 54.3024 18.4963 179.1632 15 L 3.7388 7.8664 112.3475 55.8776 38.8657 176.0296 16 R 4.4610 7.8136 120.2266 55.3069 28.5326 175.5972 17 R 4.4095 7.8967 117.4582 55.8689 31.2958 178.3018 18 F 4.3784 8.2627 121.7618 61.5415 38.9776 177.0547 19 K 4.1393 8.1727 117.1641 58.7881 31.6927 178.3981 20 R 4.4275 7.5117 116.3089 56.6846 30.0989 177.1911 21 S 4.7537 7.9282 112.8129 58.4615 63.7857 173.4142 22 C 4.8635 8.2380 117.9535 60.7076 36.5583 177.5126 23 E 4.5283 8.6906 123.6609 54.5173 30.3088 175.8834 24 K 3.5966 8.8461 126.2114 57.8352 32.2763 176.6586 25 A 4.2365 8.7736 116.8276 54.7500 18.3229 179.0067 26 G 3.8675 7.5270 103.7826 47.6935 0.0000 175.2872 27 V 3.9360 8.0905 120.6462 64.9806 32.1109 177.7714 28 L 4.0048 8.5105 119.3363 57.6126 41.3057 179.0019 29 A 4.0918 7.5400 118.0298 54.8134 18.3360 178.2856 30 E 4.2248 7.5097 118.8502 58.0280 30.9544 178.0099 31 V 4.0418 7.6966 122.8358 61.8876 29.5748 176.9440 32 R 4.5295 7.3208 120.0441 55.6268 31.3797 174.5034 33 R 4.3260 7.9422 115.2348 56.2089 33.7282 173.0462 34 R 3.7516 8.0210 113.7791 55.9884 30.6485 177.1286 35 E 3.8857 8.8008 121.6222 57.8057 29.6144 177.5317 36 F 3.7175 8.5868 117.5800 54.4702 39.0687 177.4062 37 Y 3.4896 9.1737 128.7708 57.9258 37.4487 168.7843 38 E 4.7462 9.2711 114.9870 56.2989 31.3132 176.3544 39 K 4.4243 7.8065 120.2455 57.4106 32.9069 175.7594 40 P 4.0707 0.0000 0.0000 65.4996 30.9641 178.3801 41 T 3.9635 8.0172 108.9303 64.1181 68.5430 175.3978 42 T 4.3959 7.6073 111.4265 63.5979 69.9553 175.6646 43 E 4.1350 8.8299 122.4482 59.0021 29.2381 178.3603 44 R 4.1989 7.9469 117.7722 57.0932 30.6587 178.5210 45 K 4.1285 7.7611 121.7294 59.0646 32.1612 178.2133 46 R 4.3111 7.2967 115.3754 56.5246 29.8860 176.3859 47 A 4.4874 7.9041 117.4523 51.6224 18.6556 178.3022 48 K 4.4727 7.6494 114.2646 55.8339 34.1933 178.0019 49 A 4.3425 8.0652 120.7375 55.1854 18.6556 178.7780 50 S 4.2024 8.0591 110.7645 61.1179 63.7619 174.9585 51 A 4.4552 7.1116 125.2056 51.2512 17.1012 176.0545 52 V 4.3179 6.9020 118.2184 61.1741 34.2669 176.5201 53 K 4.1710 8.0391 123.9544 55.8004 32.9506 176.3209 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 3 I 8.01 3.72 1.70 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.92 0.79 0.00 0.00 4 K 7.62 4.52 0.00 1.89 1.74 0.00 1.48 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.57 7.81 5 V 8.68 4.65 2.11 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 0.81 0.00 0.00 0.98 0.00 0.00 6 R 7.97 4.67 0.00 1.73 1.81 0.00 3.22 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 7 E 8.06 3.88 0.00 1.31 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 0.00 0.00 0.00 2.15 2.16 0.00 8 N 8.19 4.75 0.00 2.62 2.13 0.00 0.00 6.95 7.66 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 9 E 8.82 4.48 0.00 2.15 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 2.25 2.37 0.00 10 P 0.00 4.51 0.00 2.16 2.10 0.00 3.79 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 11 F 8.43 5.02 0.00 3.28 3.23 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 12 D 7.93 4.55 0.00 2.54 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 13 V 7.76 3.83 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.96 0.00 0.00 14 A 8.25 4.06 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.87 3.74 0.00 1.83 1.84 1.11 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.81 4.46 0.00 1.82 1.90 0.00 3.25 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 17 R 7.90 4.41 0.00 1.92 1.95 0.00 3.19 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 18 F 8.26 4.38 0.00 3.05 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 4.14 0.00 1.83 1.84 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.55 1.46 7.81 20 R 7.51 4.43 0.00 1.88 1.99 0.00 3.31 0.00 0.00 3.18 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 21 S 7.93 4.75 0.00 3.96 4.37 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 22 C 8.24 4.86 0.00 2.99 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.69 4.53 0.00 1.98 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.25 0.00 24 K 8.85 3.60 0.00 1.85 1.55 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.42 7.81 25 A 8.77 4.24 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.53 3.87 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 0.00 0.00 0.00 27 V 8.09 3.94 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.92 0.00 0.00 28 L 8.51 4.00 0.00 1.83 1.70 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.54 4.09 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 30 E 7.51 4.22 0.00 2.18 2.10 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 2.39 2.36 0.00 31 V 7.70 4.04 2.10 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 0.80 0.00 0.00 1.01 0.00 0.00 32 R 7.32 4.53 0.00 1.78 1.83 0.00 3.33 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 33 R 7.94 4.33 0.00 1.68 1.63 0.00 3.23 0.00 0.00 3.04 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.48 0.00 34 R 8.02 3.75 0.00 1.64 1.74 0.00 3.14 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 35 E 8.80 3.89 0.00 2.12 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 36 F 8.59 3.72 0.00 3.32 2.92 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 37 Y 9.17 3.49 0.00 3.18 2.95 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 38 E 9.27 4.75 0.00 2.11 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 2.28 2.40 0.00 39 K 7.81 4.42 0.00 2.14 2.49 0.00 1.64 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.72 1.65 7.81 40 P 0.00 4.07 0.00 2.20 2.05 0.00 3.85 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.97 0.00 41 T 8.02 3.96 4.26 0.00 0.00 0.00 0.00 0.00 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 42 T 7.61 4.40 4.27 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 1.26 0.00 0.00 43 E 8.83 4.13 0.00 1.94 1.81 0.00 0.00 0.00 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 2.42 0.00 44 R 7.95 4.20 0.00 1.89 1.92 0.00 3.04 0.00 0.00 2.98 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 45 K 7.76 4.13 0.00 2.02 1.93 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.48 7.81 46 R 7.30 4.31 0.00 1.85 1.89 0.00 3.31 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 47 A 7.90 4.49 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.65 4.47 0.00 1.86 1.73 0.00 1.51 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.37 7.81 49 A 8.07 4.34 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 50 S 8.06 4.20 0.00 3.87 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 51 A 7.11 4.46 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.90 4.32 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.93 0.00 0.00 53 K 8.04 4.17 0.00 1.70 1.67 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.34 7.81