NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7016 8.4249 119.1998 52.7164 40.3028 176.4102 2 S 4.3996 8.7767 110.4961 57.1648 61.8495 168.3824 3 V 3.5897 8.5274 117.2747 62.7418 33.1390 174.8957 4 H 4.6456 8.6082 122.1235 54.9929 30.5857 174.6364 5 P 4.3018 0.0000 0.0000 65.5311 31.5659 178.1525 6 C 4.4160 7.8338 114.1571 57.8220 40.8710 172.8201 7 C 4.6739 7.4604 120.3721 58.4880 31.7798 172.4612 8 D 4.6952 9.4416 128.1358 51.9753 40.3256 175.0809 9 P 4.0250 0.0000 0.0000 64.8761 31.8617 178.2326 10 V 3.8400 7.8268 112.3892 63.0412 31.4180 177.0361 11 K 4.2662 8.1819 117.3178 55.9736 33.7484 175.9862 12 C 3.8376 9.0578 119.6833 60.5621 30.2305 171.4651 13 E 4.8489 7.3212 113.6354 52.9263 33.4715 172.6949 14 P 4.9038 0.0000 0.0000 61.9316 32.2065 176.8973 15 R 3.9644 8.9861 120.9723 56.1607 30.5293 175.6634 16 E 4.0063 8.8033 122.2599 58.3877 29.8083 175.6962 17 G 4.0935 9.0088 115.0011 46.0236 0.0000 173.5623 18 E 4.2675 8.1228 118.7697 55.7807 30.8209 175.5554 19 H 4.5219 8.6951 116.7400 57.0242 30.3386 172.4516 20 C 4.7653 7.1391 111.5246 54.4701 44.4001 173.6879 21 I 3.9301 7.9732 119.3297 62.2904 37.6474 176.2497 22 S 4.6293 7.3906 112.4869 56.6230 65.9840 172.7922 23 G 4.4400 8.6055 109.4621 43.2791 0.0000 172.1443 24 P 4.3305 0.0000 0.0000 65.0798 31.6026 178.2441 25 C 4.9919 8.4173 114.6923 56.5455 40.6593 171.9823 26 C 5.5252 8.4725 119.8561 54.7014 40.1377 173.4598 27 R 4.4594 8.8875 126.8135 55.9868 32.5989 174.4964 28 N 4.3887 9.5183 124.0702 54.8539 35.9291 175.9199 29 C 4.4454 8.0980 112.0637 57.2765 39.3530 173.3973 30 K 4.7017 7.3359 118.3546 53.8610 35.0503 175.2244 31 F 5.1539 8.5787 119.7066 57.6139 39.1141 175.7179 32 L 4.3583 8.8013 123.2674 54.2666 43.2319 176.0444 33 N 4.5985 8.8136 119.9284 53.4916 40.1110 174.1582 34 A 4.3656 8.6151 128.9525 53.5725 18.8596 176.9954 35 G 4.0464 8.6036 111.3789 45.8158 0.0000 174.5744 36 T 4.0984 8.1745 118.0249 63.5243 69.4314 174.0315 37 I 4.2166 8.6312 128.2043 61.7578 37.2713 174.7834 38 C 4.7640 8.6917 121.5786 55.0665 37.2680 173.8121 39 K 4.3037 7.3818 117.6781 55.9547 34.9733 173.7694 40 R 4.6130 8.7011 125.8486 54.8583 31.9146 175.6215 41 A 4.4374 8.5674 123.3780 51.2754 19.8987 177.3301 42 M 3.8384 8.4917 121.7633 56.3375 32.1189 177.7046 43 L 5.0075 7.3706 123.9581 56.1326 41.0010 172.3079 44 D 4.4987 8.7266 122.1301 53.5318 44.4145 176.8933 45 G 3.7802 8.5372 107.6885 45.4995 0.0000 174.1511 46 L 4.4997 8.0172 121.8848 53.5822 39.9879 176.1055 47 H 4.5999 8.0060 119.1951 54.9719 30.7665 174.1895 48 D 4.6574 8.2571 120.1755 53.7971 41.7413 175.6097 49 Y 5.1248 8.4392 121.0301 56.2553 40.7531 176.5253 50 C 4.7129 9.6141 120.0797 57.4389 41.1794 174.7190 51 T 3.8911 8.6390 110.2421 61.5630 69.5737 175.8709 52 G 3.9786 8.3525 109.7183 43.9708 0.0000 174.0905 53 V 3.7573 7.1976 110.2211 60.8840 33.0718 175.3824 54 T 4.5733 6.6893 108.4655 59.3462 72.0206 174.0184 55 S 4.4614 8.7174 116.8156 60.8566 63.6252 174.3604 56 D 4.6522 7.9008 119.6427 52.7978 40.1945 175.7131 57 C 4.7533 8.2771 118.9476 53.8882 43.9721 171.3142 58 P 4.4218 0.0000 0.0000 62.1133 31.5129 176.6058 59 R 3.9888 8.4605 123.7587 55.5944 30.7681 175.5346 60 N 4.3591 8.8698 123.7431 54.1964 39.2305 175.7955 61 R 4.0197 8.6333 124.2468 58.9716 30.3228 176.9016 62 Y 4.4184 8.4023 114.3860 58.2760 37.6980 174.8789 63 N 4.8949 7.5959 117.3613 51.5897 40.4126 174.9511 64 H 4.3510 8.5650 116.9583 56.4676 28.7447 175.4515 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 N 8.42 4.70 0.00 2.69 2.24 0.00 0.00 7.01 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 2 S 8.78 4.40 0.00 3.97 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.53 3.59 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 0.67 0.00 0.00 0.93 0.00 0.00 4 H 8.61 4.65 0.00 3.14 3.21 0.00 5.68 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.30 0.00 2.06 2.10 0.00 4.15 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 2.08 2.14 0.00 6 C 7.83 4.42 0.00 2.74 3.08 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 0.00 0.00 0.00 0.00 7 C 7.46 4.67 0.00 2.90 2.84 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 0.00 0.00 0.00 8 D 9.44 4.70 0.00 2.56 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 9 P 0.00 4.02 0.00 2.22 2.17 0.00 3.81 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 10 V 7.83 3.84 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 0.70 0.00 0.00 0.99 0.00 0.00 11 K 8.18 4.27 0.00 1.92 2.04 0.00 1.69 0.00 0.00 1.92 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.55 7.81 12 C 9.06 3.84 0.00 2.97 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 13 E 7.32 4.85 0.00 2.09 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 2.25 0.00 14 P 0.00 4.90 0.00 1.92 1.89 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 1.97 2.04 0.00 15 R 8.99 3.96 0.00 1.81 2.05 0.00 2.77 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.55 0.00 16 E 8.80 4.01 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 2.29 2.38 0.00 17 G 9.01 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 0.00 0.00 0.00 18 E 8.12 4.27 0.00 1.83 1.92 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 2.45 2.33 0.00 19 H 8.70 4.52 0.00 2.36 1.86 0.00 5.66 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 C 7.14 4.77 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.97 3.93 1.89 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 1.45 0.88 0.98 0.00 0.00 22 S 7.39 4.63 0.00 3.97 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 23 G 8.61 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 0.00 0.00 0.00 0.00 24 P 0.00 4.33 0.00 2.07 2.15 0.00 3.85 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 25 C 8.42 4.99 0.00 3.20 3.11 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 26 C 8.47 5.53 0.00 2.95 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.89 4.46 0.00 1.84 1.74 0.00 3.32 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 28 N 9.52 4.39 0.00 2.89 2.84 0.00 0.00 7.24 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 29 C 8.10 4.45 0.00 3.22 3.12 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 0.00 0.00 0.00 30 K 7.34 4.70 0.00 1.73 1.49 0.00 1.32 0.00 0.00 1.41 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.41 7.81 31 F 8.58 5.15 0.00 3.02 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.80 4.36 0.00 1.70 1.64 1.01 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.81 4.60 0.00 2.81 2.72 0.00 0.00 6.83 7.79 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 34 A 8.62 4.37 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.60 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.17 4.10 4.33 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 1.25 0.00 0.00 37 I 8.63 4.22 1.85 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.66 0.73 0.00 0.00 38 C 8.69 4.76 0.00 2.94 3.19 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 39 K 7.38 4.30 0.00 1.75 1.56 0.00 1.68 0.00 0.00 1.95 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.34 7.81 40 R 8.70 4.61 0.00 1.64 1.69 0.00 3.16 0.00 0.00 3.03 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.49 0.00 41 A 8.57 4.44 1.26 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 0.00 0.00 0.00 42 M 8.49 3.84 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 43 L 7.37 5.01 0.00 1.75 1.70 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.73 4.50 0.00 2.72 2.75 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 0.00 0.00 0.00 45 G 8.54 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.02 4.50 0.00 1.74 1.67 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 47 H 8.01 4.60 0.00 2.27 3.00 0.00 5.69 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.26 4.66 0.00 2.55 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.44 5.12 0.00 2.92 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.61 4.71 0.00 2.94 3.02 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 51 T 8.64 3.89 4.16 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 0.00 0.00 0.00 1.18 0.00 0.00 52 G 8.35 3.98 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 0.00 0.00 0.00 53 V 7.20 3.76 1.92 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 0.65 0.00 0.00 0.79 0.00 0.00 54 T 6.69 4.57 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 55 S 8.72 4.46 0.00 4.25 4.35 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 56 D 7.90 4.65 0.00 2.82 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.28 4.75 0.00 2.92 3.03 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 58 P 0.00 4.42 0.00 2.11 1.98 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 59 R 8.46 3.99 0.00 1.78 1.85 0.00 3.27 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 60 N 8.87 4.36 0.00 3.12 2.79 0.00 0.00 6.79 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.63 4.02 0.00 1.60 1.82 0.00 3.37 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 62 Y 8.40 4.42 0.00 3.05 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 63 N 7.60 4.89 0.00 2.88 2.75 0.00 0.00 6.90 8.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 H 8.56 4.35 0.00 3.13 3.23 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00