NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5588 8.3649 120.1901 54.2569 42.3564 175.1749 4 L 4.2322 8.3703 123.4412 53.4647 43.1958 176.4658 5 G 3.9218 8.7086 110.0655 46.8977 0.0000 173.7094 6 I 4.2395 8.1532 123.7285 60.8546 38.5173 175.0385 7 T 5.2541 8.5541 116.3959 60.2088 72.2537 172.6554 8 A 5.1971 8.6293 122.9977 50.8885 23.6237 175.1967 9 V 4.6746 8.3083 118.3463 59.3799 34.2380 175.2708 10 A 3.8171 8.6724 127.3762 52.2783 18.5204 178.0001 11 L 3.9984 8.7533 122.7589 56.2545 42.7118 176.1779 12 Y 5.0370 7.5080 113.7456 56.2162 42.3612 174.5697 13 D 5.0579 8.9556 120.1866 55.0839 42.5483 175.3029 14 Y 4.7738 9.0531 122.9274 56.3228 42.6177 172.9919 15 Q 4.6701 7.4397 127.3772 53.5278 31.1576 174.8999 16 A 4.1369 8.5772 130.1149 52.6370 18.7302 177.4070 17 A 4.1103 9.5250 126.9290 54.1139 19.2448 176.7955 18 G 4.1072 7.3733 103.1976 44.7372 0.0000 173.1921 19 D 4.5684 8.5452 118.0337 55.8196 40.9651 177.1677 20 D 4.5471 7.9365 118.1813 53.7272 40.1973 175.4306 21 E 5.3795 7.7327 119.1950 54.8015 32.3632 174.4911 22 I 4.8211 8.3721 113.2183 59.4962 40.8142 174.6982 23 S 5.0113 8.2245 117.5393 57.0266 66.4653 173.2345 24 F 4.9956 8.2131 114.3696 56.7402 41.3970 172.5076 25 D 5.7417 9.6928 119.6469 50.8292 44.1455 174.3534 26 P 4.5488 0.0000 0.0000 64.7880 31.6983 176.8406 27 D 4.7187 8.9623 121.1120 54.2301 39.6749 174.6652 28 D 4.6433 7.8501 119.4919 54.2416 42.3182 175.1125 29 I 4.7708 8.1355 121.3641 59.8678 39.2092 175.0550 30 I 4.6865 8.4210 127.6927 59.7480 39.7150 174.8995 31 T 4.9120 9.0084 115.9796 59.1125 72.6581 172.9633 32 N 4.2815 8.7681 116.7902 54.2594 36.7317 175.3644 33 I 4.3235 7.7232 117.2333 61.6770 38.4919 177.0990 34 E 4.4081 9.7405 125.8725 54.8059 32.7460 175.3744 35 M 3.9320 8.3944 125.3466 54.5976 30.5479 176.4879 36 I 3.8680 8.5765 125.2133 63.9475 37.7956 175.7432 37 D 4.5679 7.7919 116.3398 52.9702 42.5158 174.5755 38 D 4.5393 9.2549 118.1091 56.2359 39.2419 177.4787 39 G 3.5932 9.5002 108.4557 44.7837 0.0000 172.7839 40 W 4.8757 8.1734 119.5809 54.4811 32.0345 175.3038 41 W 5.2999 8.3967 123.8749 54.8352 32.5220 174.4154 42 R 5.0572 8.7624 121.0601 55.1327 33.0982 174.6427 43 G 4.4682 8.8155 110.9436 46.2554 0.0000 171.4035 44 V 5.2483 8.8717 119.8190 61.2978 34.2450 174.6891 45 C 4.7955 9.2106 127.6059 58.2389 34.9986 174.0285 46 K 3.8517 9.9842 126.6700 57.5536 29.3563 176.0890 47 G 4.0318 8.4973 105.6734 45.2625 0.0000 173.7832 48 R 4.7754 7.9752 119.2101 54.6994 32.6655 174.5607 49 Y 5.2710 8.9848 123.2179 55.2494 41.5264 175.2003 50 G 3.7902 7.3433 111.3232 46.4800 0.0000 171.2937 51 L 5.3175 8.0478 119.9409 54.5005 43.2975 176.4443 52 F 5.2155 8.7459 115.5003 55.1213 42.0824 171.7722 53 P 3.5787 0.0000 0.0000 61.7267 31.8227 177.4694 54 A 3.0076 8.0123 127.8276 54.8065 18.0796 178.6575 55 N 4.4985 7.6046 109.8759 54.4345 37.6456 174.9731 56 Y 4.6130 8.1301 116.8700 58.5759 38.7270 175.0709 57 V 4.8056 7.5711 111.9199 59.2768 36.1384 174.7583 58 E 4.6009 8.9216 123.0863 54.1043 32.0105 175.0427 59 L 4.5232 8.7988 126.7083 55.9396 42.4052 177.3534 60 R 4.3836 8.6412 123.7933 55.7112 33.0235 174.8090 61 Q 4.2104 8.6818 124.8425 56.1159 28.9717 175.6662 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 D 8.36 4.56 0.00 2.63 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 4 L 8.37 4.23 0.00 1.82 1.67 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.71 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 0.00 0.00 0.00 6 I 8.15 4.24 1.79 0.00 0.00 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 1.34 0.85 0.82 0.00 0.00 7 T 8.55 5.25 4.23 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 1.29 0.00 0.00 8 A 8.63 5.20 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 9 V 8.31 4.67 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.87 0.00 0.00 10 A 8.67 3.82 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 11 L 8.75 4.00 0.00 0.95 0.29 0.74 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 7.51 5.04 0.00 2.71 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 13 D 8.96 5.06 0.00 2.76 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 14 Y 9.05 4.77 0.00 3.06 1.87 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 15 Q 7.44 4.67 0.00 1.84 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.67 0.00 0.00 0.00 0.00 0.00 2.12 2.24 0.00 16 A 8.58 4.14 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 17 A 9.53 4.11 1.36 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 0.00 0.00 18 G 7.37 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 0.00 0.00 0.00 19 D 8.55 4.57 0.00 2.67 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 20 D 7.94 4.55 0.00 2.73 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 21 E 7.73 5.38 0.00 2.09 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 0.00 2.34 2.10 0.00 22 I 8.37 4.82 1.98 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.83 1.00 0.00 0.00 23 S 8.22 5.01 0.00 3.72 3.81 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 0.00 0.00 0.00 24 F 8.21 5.00 0.00 3.15 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.69 5.74 0.00 2.64 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 26 P 0.00 4.55 0.00 2.05 1.98 0.00 3.79 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 27 D 8.96 4.72 0.00 2.79 2.90 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 0.00 0.00 0.00 28 D 7.85 4.64 0.00 2.69 2.56 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 0.00 29 I 8.14 4.77 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.80 0.92 0.00 0.00 30 I 8.42 4.69 1.65 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.29 0.64 0.00 0.00 31 T 9.01 4.91 4.42 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 1.21 0.00 0.00 32 N 8.77 4.28 0.00 2.90 2.94 0.00 0.00 7.03 7.70 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 33 I 7.72 4.32 1.91 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.66 0.72 0.00 0.00 34 E 9.74 4.41 0.00 1.87 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 2.26 2.53 0.00 35 M 8.39 3.93 0.00 1.77 1.80 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.81 0.00 36 I 8.58 3.87 2.27 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.79 0.96 0.00 0.00 37 D 7.79 4.57 0.00 2.73 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 38 D 9.25 4.54 0.00 2.79 2.89 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 39 G 9.50 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.17 4.88 0.00 3.21 2.98 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 0.00 0.00 0.00 41 W 8.40 5.30 0.00 2.12 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 42 R 8.76 5.06 0.00 1.84 1.78 0.00 2.84 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.26 0.00 43 G 8.82 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.87 5.25 2.19 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 1.08 0.00 0.00 1.18 0.00 0.00 45 C 9.21 4.80 0.00 3.01 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 9.98 3.85 0.00 1.95 1.87 0.00 1.87 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.47 7.81 47 G 8.50 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.98 4.78 0.00 1.91 1.91 0.00 3.29 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 49 Y 8.98 5.27 0.00 2.92 2.89 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 50 G 7.34 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.05 5.32 0.00 1.50 1.65 0.66 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.75 5.22 0.00 3.02 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 53 P 0.00 3.58 0.00 1.49 1.11 0.00 2.84 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.65 0.00 54 A 8.01 3.01 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.60 4.50 0.00 2.80 2.81 0.00 0.00 5.97 7.55 0.00 0.00 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 Y 8.13 4.61 0.00 3.39 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.57 4.81 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 1.29 0.00 0.00 58 E 8.92 4.60 0.00 1.91 1.72 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 2.18 2.24 0.00 59 L 8.80 4.52 0.00 1.65 1.68 1.04 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.64 4.38 0.00 1.89 1.76 0.00 3.22 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 61 Q 8.68 4.21 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.42 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00