NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3320 0.0000 0.0000 62.1773 32.7735 175.1334 2 K 4.1965 8.4857 123.5822 52.7118 33.2817 173.9540 3 I 4.1439 8.1119 121.1055 59.2267 38.9257 175.4062 4 K 4.0552 8.4109 125.0535 56.8410 32.8292 177.5950 5 T 4.1427 8.2438 117.9760 62.5339 67.4101 175.2025 6 V 3.4701 8.3595 127.7505 65.9976 31.5819 177.6194 7 R 4.0532 7.5284 119.5093 58.7836 29.7904 178.3069 8 G 3.9204 8.1470 105.1947 48.5913 0.0000 173.7481 9 A 4.0612 7.8468 121.1085 54.8581 17.9933 178.9614 10 A 4.1705 7.9959 120.4782 55.1389 18.6076 179.3957 11 K 4.1790 7.7391 117.0954 58.7709 32.4128 177.9228 12 R 4.6037 8.4416 115.4321 55.2301 31.7904 175.5533 13 F 4.0772 8.6176 114.0070 57.1583 37.9217 175.1706 14 K 3.8791 7.8590 121.3732 57.8284 36.1110 173.9310 15 K 4.9385 8.1774 124.6453 56.8279 33.5466 175.0496 16 T 4.0937 7.5670 117.6249 61.1606 69.0925 175.7003 17 G 3.7682 8.5261 109.3947 47.3841 0.0000 174.7394 18 K 4.5058 8.1809 116.6002 57.1674 36.3588 177.6777 19 G 3.3860 8.4953 118.0951 44.1389 0.0000 172.3612 20 G 4.0302 8.0941 105.7035 46.7359 0.0000 172.6520 21 F 3.7566 5.7104 111.7523 55.0439 37.9043 175.3764 22 K 4.0170 8.6022 125.8185 57.6977 31.7411 176.7491 23 H 4.0314 8.7775 120.1310 58.1340 29.0280 177.1397 24 K 4.2347 8.5631 123.5511 57.5297 35.3790 176.0212 25 H 4.7446 8.3951 119.7434 53.8331 29.4374 171.1323 26 A 3.8500 8.7632 135.0000 52.3998 19.9473 174.9888 27 N 4.6277 8.6702 116.7890 53.4060 39.4262 176.4058 28 L 4.1531 5.6672 122.3487 56.7315 41.1243 177.8076 29 R 4.0597 7.1978 116.2559 58.4863 29.4116 175.7799 30 H 4.1697 9.3916 115.2814 56.5696 25.8333 175.4407 31 I 4.5335 7.3186 119.2557 60.7138 44.7676 175.0893 32 L 4.6594 7.1495 133.9630 53.5396 42.6871 176.1402 33 T 4.6113 8.1767 113.0841 61.1601 69.3441 174.7711 34 K 4.3706 8.1422 120.4901 56.8357 32.3630 176.0103 35 K 4.4631 7.3397 115.8777 55.7123 35.2657 173.3208 36 A 3.9316 8.7751 130.0502 52.0203 18.2423 175.8326 37 T 4.4299 8.0238 107.6622 63.1551 71.4997 175.4891 38 K 3.9989 8.0495 123.2788 58.8606 32.3544 178.9790 39 R 3.9992 7.9651 112.3721 57.0236 29.5845 176.8951 40 K 4.4144 7.8604 119.8610 54.1196 31.6277 174.3256 41 R 4.6210 7.9608 123.8584 54.0989 33.0564 175.6351 42 H 4.3729 9.1126 124.6632 57.1012 31.7756 178.5934 43 L 3.5099 7.8812 117.2585 55.2283 41.1780 175.8761 44 R 4.4699 8.4676 123.3202 55.6897 34.5851 171.3730 45 P 4.6287 0.0000 0.0000 63.2706 33.5667 174.6462 46 K 4.3059 8.0754 117.7102 55.6965 35.1591 174.7303 47 A 4.8916 8.2806 125.1981 51.9436 21.2964 175.5506 48 M 4.4859 8.1214 115.6466 56.9491 35.9317 172.6197 49 V 4.3250 7.9804 115.9470 65.1549 33.9059 178.1164 50 S 4.2663 8.1995 115.0213 60.6569 63.2333 175.2327 51 K 4.3963 7.9945 119.6777 56.6261 33.9802 177.8720 52 G 4.0964 7.7699 107.3227 49.0964 0.0000 175.0130 53 D 4.5024 8.5356 120.3650 57.1543 41.0914 179.5502 54 L 3.9738 7.9140 117.1252 57.8840 41.5581 178.8125 55 G 3.5979 7.9320 104.2251 46.4108 0.0000 172.6888 56 L 4.4815 7.5897 122.9448 52.6806 43.1700 176.4571 57 V 5.0115 8.0627 135.0000 63.1064 30.2872 171.4639 58 I 3.7408 7.3574 112.4452 60.4055 38.1690 175.3669 59 A 3.8183 8.3267 124.6603 51.8749 16.6893 176.3910 60 C 5.3356 7.3180 125.6343 60.1360 32.2931 173.0336 61 L 4.1840 7.1255 121.1813 52.5275 42.7134 175.0549 62 P 4.2617 0.0000 0.0000 63.3908 32.4357 175.2344 63 Y 4.8570 7.6946 120.4404 57.6321 38.1504 175.7535 64 A 4.3064 8.7569 132.7383 53.8451 19.0408 176.2284 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 P 0.00 4.33 0.00 2.06 2.06 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.08 0.00 2 K 8.49 4.20 0.00 1.79 1.72 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.50 7.81 3 I 8.11 4.14 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.00 0.90 0.00 0.00 4 K 8.41 4.06 0.00 1.90 1.89 0.00 1.54 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.45 7.81 5 T 8.24 4.14 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 1.19 0.00 0.00 6 V 8.36 3.47 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 0.90 0.00 0.00 0.90 0.00 0.00 7 R 7.53 4.05 0.00 1.96 1.82 0.00 3.24 0.00 0.00 3.17 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 8 G 8.15 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 9 A 7.85 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 10 A 8.00 4.17 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 11 K 7.74 4.18 0.00 1.80 1.92 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.49 7.81 12 R 8.44 4.60 0.00 1.52 1.72 0.00 3.19 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 13 F 8.62 4.08 0.00 3.17 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 14 K 7.86 3.88 0.00 1.80 1.75 0.00 1.78 0.00 0.00 1.48 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.54 1.04 7.81 15 K 8.18 4.94 0.00 1.82 1.76 0.00 1.82 0.00 0.00 1.80 0.00 0.00 3.14 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.12 1.28 7.81 16 T 7.57 4.09 4.20 0.00 0.00 0.00 0.00 0.00 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 17 G 8.53 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 0.00 0.00 0.00 18 K 8.18 4.51 0.00 1.67 1.64 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.46 7.81 19 G 8.50 3.39 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 0.00 0.00 0.00 0.00 20 G 8.09 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 21 F 5.71 3.76 0.00 3.27 3.28 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 22 K 8.60 4.02 0.00 1.63 1.82 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.42 1.38 7.81 23 H 8.78 4.03 0.00 3.14 3.12 0.00 5.72 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.56 4.23 0.00 1.72 1.78 0.00 1.54 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.21 1.35 7.81 25 H 8.40 4.74 0.00 3.11 2.84 0.00 6.03 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 26 A 8.76 3.85 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 27 N 8.67 4.63 0.00 2.66 2.24 0.00 0.00 6.86 6.66 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 28 L 5.67 4.15 0.00 2.12 1.91 1.01 0.93 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 7.20 4.06 0.00 1.94 2.04 0.00 3.28 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 30 H 9.39 4.17 0.00 3.28 3.48 0.00 5.91 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.32 4.53 2.06 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 1.43 0.35 0.92 0.00 0.00 32 L 7.15 4.66 0.00 1.62 1.59 0.92 0.70 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 33 T 8.18 4.61 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 1.24 0.00 0.00 34 K 8.14 4.37 0.00 1.74 1.84 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.45 7.81 35 K 7.34 4.46 0.00 1.73 1.65 0.00 1.92 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.34 7.81 36 A 8.78 3.93 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 37 T 8.02 4.43 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 1.21 0.00 0.00 38 K 8.05 4.00 0.00 1.85 1.85 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.53 7.81 39 R 7.97 4.00 0.00 1.84 1.95 0.00 3.20 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 40 K 7.86 4.41 0.00 1.68 1.83 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.34 7.81 41 R 7.96 4.62 0.00 1.79 1.71 0.00 3.43 0.00 0.00 3.43 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 42 H 9.11 4.37 0.00 3.18 3.32 0.00 5.93 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.88 3.51 0.00 1.95 1.43 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.47 4.47 0.00 1.72 1.81 0.00 3.28 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 45 P 0.00 4.63 0.00 2.03 2.06 0.00 3.79 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 46 K 8.08 4.31 0.00 1.60 1.49 0.00 1.64 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.29 1.32 7.81 47 A 8.28 4.89 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 M 8.12 4.49 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 49 V 7.98 4.33 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 1.04 0.00 0.00 0.92 0.00 0.00 50 S 8.20 4.27 0.00 3.91 3.94 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 51 K 7.99 4.40 0.00 1.79 1.79 0.00 1.81 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.49 7.81 52 G 7.77 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.54 4.50 0.00 2.75 2.81 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 54 L 7.91 3.97 0.00 1.85 1.74 0.93 0.71 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 55 G 7.93 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.59 4.48 0.00 2.04 1.95 1.24 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.06 5.01 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 0.68 0.00 0.00 0.93 0.00 0.00 58 I 7.36 3.74 1.86 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.40 0.87 0.00 0.00 59 A 8.33 3.82 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 C 7.32 5.34 0.00 3.05 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.13 4.18 0.00 0.77 0.90 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.26 0.00 1.96 1.98 0.00 3.47 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 63 Y 7.69 4.86 0.00 2.97 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 0.00 0.00 0.00 0.00 64 A 8.76 4.31 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