NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 N 4.8394 8.2833 118.1293 51.7806 41.1765 173.2189 9 K 4.8302 7.5950 119.3311 52.7749 36.4572 174.7695 10 C 4.3361 8.5696 122.8992 58.9028 33.2793 174.1500 11 G 3.8442 8.9223 111.8663 47.4674 0.0000 173.9548 12 A 4.1763 7.3620 122.5708 53.9059 19.0198 178.6245 13 C 4.0967 7.6268 116.3440 57.2658 28.8993 173.8345 14 G 4.1141 8.6899 110.7620 45.9305 0.0000 174.4427 15 R 4.2817 8.1326 120.1075 55.9812 32.3818 175.1949 16 T 4.8491 8.4329 117.5073 63.2336 68.6793 175.2553 17 V 4.0055 8.1545 120.8211 61.3034 32.2600 174.6688 18 Y 4.8296 8.7106 124.1528 58.1744 44.6928 174.1942 19 H 4.5374 8.4999 119.7423 57.7104 32.9584 175.2145 20 A 4.2095 8.3791 121.2162 55.2522 18.7973 178.9545 21 E 4.8181 8.0507 113.6219 56.3268 30.2418 175.1698 22 E 5.3838 8.0349 115.5736 55.5162 32.9194 174.6092 23 V 4.5073 8.3482 119.5256 61.3160 35.2662 174.2856 24 Q 4.4793 8.7239 126.1200 55.3476 29.6634 175.8940 25 C 4.6950 8.0327 122.2159 58.2439 33.7126 175.0618 26 D 4.4801 8.6344 130.0160 55.0704 39.9911 175.0214 27 G 3.7099 6.6627 102.5079 46.7515 0.0000 173.9378 28 R 4.3240 7.4085 115.9037 54.3714 31.7177 174.5257 29 S 4.7650 7.6879 112.4469 56.7343 66.6041 172.7158 30 F 4.8581 7.9404 118.4133 55.5375 42.2773 174.4165 31 H 4.6822 8.8311 116.6453 56.1513 29.2936 176.4233 32 R 3.8466 8.4498 123.4365 60.2732 29.4941 177.4468 33 C 4.3469 8.3200 113.8726 62.2767 28.8854 174.4229 34 C 4.4721 7.2924 118.4168 57.4863 29.6515 170.7337 35 F 4.8671 8.1142 124.1652 55.5364 41.7959 173.8529 36 L 4.9175 6.6409 126.1682 53.7208 43.6019 174.9633 37 C 4.0228 7.7194 120.1705 59.3722 31.7671 173.9105 38 M 4.0018 8.1202 126.0799 56.7751 31.9229 176.4042 39 V 3.6040 6.7782 118.0638 64.9052 31.8936 176.4839 40 C 4.0554 7.9584 116.1857 60.1552 31.1975 174.4233 41 R 4.0414 7.7737 114.8339 56.9892 24.7010 174.9609 42 K 4.2613 7.2640 120.3039 55.6282 34.9048 176.6763 43 N 4.7859 8.6652 120.9784 53.0833 37.7171 174.5803 44 L 4.7347 8.0772 125.9121 53.6593 44.1907 175.5319 45 D 4.3880 8.2856 120.9962 54.0985 42.4672 176.9257 46 S 4.4704 8.4854 109.1387 58.3234 62.7252 174.5076 47 T 4.1824 7.2609 111.1667 62.4606 70.2071 177.8934 48 T 4.6064 8.3827 116.5643 59.3831 69.4743 175.3759 49 V 4.7536 7.8001 123.5446 61.8317 32.1484 169.4618 50 A 4.5332 7.8560 122.3682 50.7556 22.9740 174.8239 51 I 4.6526 7.8194 118.3512 59.6618 41.0804 174.7862 52 H 4.5235 9.0726 127.6636 55.9182 33.2390 173.2439 53 D 4.4102 8.3254 128.8348 55.7623 40.2060 175.9428 54 A 4.4929 8.0156 118.2857 52.2631 19.5524 176.9682 55 E 4.9110 7.8808 112.8159 54.2479 33.9796 174.9245 56 V 4.4466 8.2692 119.9262 62.4493 33.0370 174.2089 57 Y 4.8632 8.5302 124.1931 56.3739 40.6346 175.4865 58 C 4.7952 8.4792 120.4503 58.4718 30.4230 174.6255 59 K 4.1989 8.8362 116.3479 59.9166 31.5869 179.2580 60 S 4.1614 7.9906 112.9072 61.7643 62.4739 175.5908 61 C 4.3501 8.0384 118.3756 61.9164 27.9448 175.4464 62 Y 4.2771 8.1806 121.7444 60.6486 38.4812 177.1228 63 G 3.7961 7.9808 103.9331 45.9253 0.0000 174.9620 64 K 4.2386 7.3221 118.5141 57.3877 33.6404 178.1760 65 K 3.8137 7.4600 118.9932 59.1940 32.2155 177.8046 66 Y 4.5154 7.0974 113.8992 57.4926 38.9280 176.0299 67 G 4.0003 7.8386 113.5639 45.6001 0.0000 173.1030 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 8 N 8.28 4.84 0.00 2.85 2.78 0.00 0.00 6.82 6.19 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 9 K 7.60 4.83 0.00 1.76 1.67 0.00 1.81 0.00 0.00 0.61 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.46 7.81 10 C 8.57 4.34 0.00 2.67 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 11 G 8.92 3.84 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 0.00 0.00 0.00 12 A 7.36 4.18 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 13 C 7.63 4.10 0.00 3.12 2.86 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 0.00 0.00 0.00 0.00 14 G 8.69 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 15 R 8.13 4.28 0.00 1.75 1.90 0.00 3.28 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.59 0.00 16 T 8.43 4.85 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 17 V 8.15 4.01 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 0.71 0.00 0.00 0.91 0.00 0.00 18 Y 8.71 4.83 0.00 2.86 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 19 H 8.50 4.54 0.00 2.80 3.30 0.00 5.81 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.38 4.21 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 21 E 8.05 4.82 0.00 2.12 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 0.00 2.47 2.42 0.00 22 E 8.03 5.38 0.00 1.93 1.94 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 2.20 2.40 0.00 23 V 8.35 4.51 2.15 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 0.87 0.00 0.00 0.73 0.00 0.00 24 Q 8.72 4.48 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 25 C 8.03 4.69 0.00 3.23 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 26 D 8.63 4.48 0.00 2.85 2.03 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 27 G 6.66 3.71 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 0.00 0.00 0.00 28 R 7.41 4.32 0.00 1.62 1.92 0.00 3.12 0.00 0.00 3.41 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.01 0.00 29 S 7.69 4.77 0.00 3.67 3.80 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 30 F 7.94 4.86 0.00 3.02 3.06 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 0.00 0.00 0.00 31 H 8.83 4.68 0.00 3.42 3.31 0.00 5.85 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.45 3.85 0.00 1.78 2.06 0.00 3.25 0.00 0.00 3.39 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 33 C 8.32 4.35 0.00 3.05 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 34 C 7.29 4.47 0.00 2.97 2.97 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 0.00 35 F 8.11 4.87 0.00 3.44 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 36 L 6.64 4.92 0.00 1.44 1.36 0.66 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 37 C 7.72 4.02 0.00 3.05 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 38 M 8.12 4.00 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.44 0.00 39 V 6.78 3.60 1.74 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 0.61 0.00 0.00 -0.07 0.00 0.00 40 C 7.96 4.06 0.00 3.06 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 41 R 7.77 4.04 0.00 1.89 2.15 0.00 3.33 0.00 0.00 2.25 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.41 0.00 42 K 7.26 4.26 0.00 1.79 1.64 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.42 7.81 43 N 8.67 4.79 0.00 2.66 2.81 0.00 0.00 6.78 7.85 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 44 L 8.08 4.73 0.00 1.63 1.72 1.03 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.29 4.39 0.00 2.74 2.50 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 46 S 8.49 4.47 0.00 3.80 3.80 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 47 T 7.26 4.18 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 1.33 0.00 0.00 48 T 8.38 4.61 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 1.25 0.00 0.00 49 V 7.80 4.75 2.44 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 0.82 0.00 0.00 1.16 0.00 0.00 50 A 7.86 4.53 0.43 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 0.00 0.00 51 I 7.82 4.65 1.87 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.91 0.86 0.00 0.00 52 H 9.07 4.52 0.00 3.14 2.98 0.00 5.76 0.00 0.00 0.00 0.00 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.33 4.41 0.00 2.89 2.03 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 54 A 8.02 4.49 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 55 E 7.88 4.91 0.00 1.98 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 2.34 2.32 0.00 56 V 8.27 4.45 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 0.93 0.00 0.00 1.13 0.00 0.00 57 Y 8.53 4.86 0.00 3.21 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.48 4.80 0.00 3.10 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 59 K 8.84 4.20 0.00 1.92 1.89 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.56 7.81 60 S 7.99 4.16 0.00 3.96 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 61 C 8.04 4.35 0.00 3.19 3.07 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 62 Y 8.18 4.28 0.00 3.38 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 63 G 7.98 3.80 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 0.00 0.00 0.00 64 K 7.32 4.24 0.00 1.83 1.79 0.00 1.58 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.42 7.81 65 K 7.46 3.81 0.00 1.43 0.98 0.00 1.44 0.00 0.00 1.54 0.00 0.00 3.08 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.67 0.35 7.81 66 Y 7.10 4.52 0.00 2.58 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 67 G 7.84 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 0.00 0.00 0.00