NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2968 8.2644 123.5814 51.2905 19.5043 177.9183 2 K 3.6026 9.0561 116.8853 59.3219 32.0042 171.5872 3 T 3.4699 7.9529 118.8809 61.4120 69.4217 169.9854 4 I 4.7753 8.7530 120.0767 59.4231 41.8868 173.6258 5 K 5.0813 9.0322 122.9817 54.9323 34.3093 175.4739 6 I 4.9775 8.9619 125.4422 59.8422 40.3975 174.8059 7 T 4.8747 8.5141 121.6967 61.7647 72.2225 175.2105 8 Q 3.7415 8.9594 126.4194 57.4465 29.4908 178.6346 9 T 3.7609 8.5532 110.9792 62.9583 67.6358 171.3029 10 R 4.4338 7.9786 117.1160 55.0461 33.4576 174.0301 11 S 4.1508 8.7702 118.5296 58.6941 62.6385 173.7453 12 A 4.5493 8.4550 128.0609 52.2663 19.2070 179.0112 13 I 3.7230 7.4857 118.2716 64.7392 37.1698 178.0262 14 G 3.7323 7.9307 106.4244 47.0004 0.0000 173.6812 15 R 4.3151 7.3410 118.6899 55.1978 31.0737 176.6594 16 L 4.2456 8.1699 118.8392 54.1187 43.5053 176.9460 17 P 4.2346 0.0000 0.0000 65.7583 31.3758 178.9808 18 K 3.8684 8.1485 116.8860 60.0011 31.9077 178.7164 19 H 4.3089 8.0663 115.5191 58.8894 28.7223 177.5418 20 K 3.8624 8.3009 120.0083 59.6874 32.0938 178.8538 21 A 3.9965 8.6042 121.0257 55.9409 18.3238 179.8977 22 T 3.8728 8.2945 114.2556 66.4698 68.3913 176.6971 23 L 3.9225 8.3529 121.4807 58.0643 41.5733 179.5462 24 L 4.0599 7.9436 118.3233 57.6508 41.9641 178.9213 25 G 3.7255 7.6104 104.8962 47.7519 0.0000 175.6148 26 L 4.2066 8.0700 120.7217 54.9610 41.3709 177.9977 27 G 3.8232 8.0729 106.5990 46.2674 0.0000 173.6349 28 L 4.2899 7.2936 116.8627 54.3452 42.1144 177.5276 29 R 4.3551 8.2479 121.6559 57.3360 31.5024 176.4326 30 R 4.5270 7.4232 114.3198 54.4651 33.8999 173.9766 31 I 3.5594 8.3483 113.6579 62.8761 37.4725 175.9427 32 G 3.7537 8.7449 113.9149 47.0222 0.0000 174.6956 33 H 4.2656 8.0799 120.1939 58.9926 30.2846 172.6553 34 T 4.1233 8.1193 119.8525 62.3438 68.4550 171.7579 35 V 4.2014 7.4164 120.2745 61.3977 33.6769 170.3562 36 E 5.0283 8.8237 123.4249 55.3749 31.3281 175.3692 37 R 4.7084 8.6194 122.1774 55.1548 34.3000 173.6357 38 E 4.6037 8.6911 123.5985 55.1366 31.6286 177.1821 39 D 4.7092 8.5750 120.4280 54.3939 41.0777 176.1954 40 T 3.9950 8.1390 112.5822 61.3015 67.8878 172.9458 41 P 4.3678 0.0000 0.0000 65.2731 31.0765 178.5653 42 A 3.9768 7.9710 121.1340 54.8881 18.3519 179.2147 43 I 3.8715 7.6626 111.1808 63.7308 38.2034 178.0250 44 R 3.9998 8.2230 120.6386 59.3445 29.5385 178.7083 45 G 3.6499 8.0665 104.9771 47.6007 0.0000 175.5454 46 M 4.1920 7.6772 119.8401 58.2952 32.0613 178.5125 47 I 3.5829 7.6991 119.8517 64.7963 37.3608 177.7482 48 N 4.2769 8.1455 117.0183 56.6646 38.5531 176.7774 49 A 4.1846 8.1762 121.5274 54.1004 18.6114 178.3941 50 V 4.0596 7.2440 110.1918 60.8345 32.5598 177.6518 51 S 4.1262 7.9603 118.2402 61.6658 62.4303 175.6785 52 F 4.5410 7.9354 112.8004 58.1959 37.7288 175.3640 53 M 4.8214 7.5519 120.3810 53.9572 30.6267 175.0655 54 V 4.6665 7.6737 110.1033 61.0214 36.5293 174.1213 55 K 4.6332 9.0547 125.0541 54.5930 34.5018 174.9462 56 V 4.8683 8.4217 126.9628 60.0778 33.5905 174.7915 57 E 4.6069 9.1701 124.4981 54.5695 31.9036 176.2493 58 E 4.1926 8.7428 123.2485 56.4917 29.7829 176.0945 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 A 8.26 4.30 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.06 3.60 0.00 1.78 1.89 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.58 1.54 7.81 3 T 7.95 3.47 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 1.31 0.00 0.00 4 I 8.75 4.78 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.70 0.90 0.00 0.00 5 K 9.03 5.08 0.00 1.67 1.72 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.38 7.81 6 I 8.96 4.98 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.77 0.87 0.00 0.00 7 T 8.51 4.87 4.22 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 1.22 0.00 0.00 8 Q 8.96 3.74 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 5.89 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 9 T 8.55 3.76 4.39 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 1.19 0.00 0.00 10 R 7.98 4.43 0.00 1.70 1.74 0.00 3.58 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 11 S 8.77 4.15 0.00 3.89 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 12 A 8.46 4.55 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.49 3.72 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.59 0.93 0.00 0.00 14 G 7.93 3.73 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 0.00 0.00 0.00 15 R 7.34 4.32 0.00 2.08 2.08 0.00 3.36 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.83 0.00 16 L 8.17 4.25 0.00 1.37 1.47 0.82 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.23 0.00 2.15 2.09 0.00 3.60 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 18 K 8.15 3.87 0.00 1.78 1.93 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.56 7.81 19 H 8.07 4.31 0.00 3.53 3.46 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.30 3.86 0.00 1.94 1.89 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.50 1.72 7.81 21 A 8.60 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.29 3.87 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 1.20 0.00 0.00 23 L 8.35 3.92 0.00 1.84 1.72 0.85 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.94 4.06 0.00 1.63 1.86 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.61 3.73 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 0.00 0.00 0.00 26 L 8.07 4.21 0.00 1.86 1.71 0.88 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.07 3.82 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 0.00 0.00 0.00 28 L 7.29 4.29 0.00 1.64 1.63 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.25 4.36 0.00 1.50 1.87 0.00 3.21 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 30 R 7.42 4.53 0.00 1.79 1.74 0.00 3.13 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 31 I 8.35 3.56 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.52 0.91 0.00 0.00 32 G 8.74 3.75 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 0.00 0.00 0.00 33 H 8.08 4.27 0.00 3.20 3.33 0.00 6.08 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.12 4.12 4.19 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 1.17 0.00 0.00 35 V 7.42 4.20 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 0.75 0.00 0.00 0.91 0.00 0.00 36 E 8.82 5.03 0.00 1.85 1.89 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 2.22 2.26 0.00 37 R 8.62 4.71 0.00 1.89 1.69 0.00 3.12 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 38 E 8.69 4.60 0.00 2.07 2.04 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 2.34 2.24 0.00 39 D 8.57 4.71 0.00 2.65 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 40 T 8.14 3.99 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 41 P 0.00 4.37 0.00 2.38 2.29 0.00 3.49 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 42 A 7.97 3.98 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 43 I 7.66 3.87 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.74 0.96 0.00 0.00 44 R 8.22 4.00 0.00 2.18 2.02 0.00 3.13 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 45 G 8.07 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.68 4.19 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.57 0.00 47 I 7.70 3.58 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.11 0.87 0.00 0.00 48 N 8.15 4.28 0.00 2.87 2.81 0.00 0.00 7.14 7.37 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 49 A 8.18 4.18 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 50 V 7.24 4.06 1.61 0.00 0.00 0.00 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 0.89 0.00 0.00 51 S 7.96 4.13 0.00 3.97 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 0.00 52 F 7.94 4.54 0.00 3.18 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 53 M 7.55 4.82 0.00 1.68 1.96 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.04 0.00 54 V 7.67 4.67 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 0.53 0.00 0.00 0.87 0.00 0.00 55 K 9.05 4.63 0.00 1.77 1.61 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.33 7.81 56 V 8.42 4.87 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 0.77 0.00 0.00 0.96 0.00 0.00 57 E 9.17 4.61 0.00 1.87 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 2.21 2.23 0.00 58 E 8.74 4.19 0.00 1.94 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 2.25 2.28 0.00