NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3304 8.1127 121.1227 56.2757 32.0011 173.6507 5 E 4.6580 8.4026 122.5182 52.9744 32.4964 173.7723 6 C 4.2582 9.2089 126.6364 59.6668 32.9276 173.4070 7 D 4.7327 8.2068 123.9411 55.1706 39.8586 175.4922 8 Y 4.5140 7.5301 118.2134 58.9156 40.7467 176.0042 9 C 3.9925 8.2755 119.0555 59.8194 32.3117 175.2964 10 G 3.9714 8.4054 106.2225 45.2950 0.0000 172.9530 11 T 4.2098 7.5833 109.9244 61.1176 70.5465 173.9367 12 D 4.5271 8.6969 124.1750 54.0646 40.6473 175.8018 13 I 3.9333 7.7685 125.1199 60.9124 38.0363 176.0128 14 E 4.1372 8.8344 128.0688 54.7960 30.2935 174.0217 15 P 4.3428 0.0000 0.0000 64.2529 31.8537 176.3543 16 G 3.8835 10.2445 110.1492 45.6055 0.0000 173.2201 17 T 4.3797 7.6509 115.6781 63.0271 71.3651 173.6385 18 G 4.5011 7.6748 114.8058 44.4129 0.0000 170.9288 19 T 4.7070 7.8623 115.5566 61.7418 72.2598 173.2913 20 M 4.4865 8.8426 125.6555 53.8979 33.7421 174.2820 21 F 4.8377 9.2556 130.4846 57.2282 40.8579 174.6487 22 V 4.3254 7.9171 126.1953 62.2766 32.4708 174.8749 23 H 4.3721 8.5494 124.0397 53.8639 30.9466 176.0583 24 K 3.8232 8.9110 121.1124 59.8623 31.9630 177.6525 25 D 4.3857 8.0411 116.3885 56.4520 39.4663 175.5881 26 G 3.2048 7.2955 108.2841 44.3861 0.0000 173.4154 27 A 4.1992 7.9629 123.4122 52.2502 19.8565 176.8100 28 T 4.8566 8.2635 115.3765 62.0306 71.5521 173.7075 29 T 4.5230 8.7752 122.9198 61.9632 71.8300 172.7805 30 H 5.3106 8.5534 122.6459 54.0799 32.0826 173.4987 31 F 5.1791 8.7494 120.0885 55.8513 42.0244 176.3214 32 C 4.3183 9.2561 118.0926 60.8062 29.8124 173.1023 33 S 4.7171 7.7260 113.0461 55.4886 65.8711 174.5220 34 S 4.1792 8.5236 115.8287 60.6479 62.1875 175.9399 35 K 3.7321 8.0627 122.9405 59.9476 31.6920 178.3018 36 C 4.3595 7.7346 116.3616 62.5810 27.9568 175.8806 37 E 2.5400 7.5034 119.8128 58.9156 28.7534 178.9884 38 N 4.3090 7.6301 116.2128 56.1342 38.2709 177.3393 39 N 4.4215 7.7490 117.4446 56.0316 38.6471 177.3888 40 A 4.1302 7.4447 122.5497 55.2755 18.3275 179.4579 41 D 4.3529 7.3803 114.5803 57.0526 40.8578 178.6188 42 L 4.2047 7.4396 119.1826 56.0818 41.7104 177.9524 43 G 4.1509 7.6817 104.7424 45.1048 0.0000 173.9232 44 R 4.2360 7.5803 118.5742 55.7954 30.8258 175.7128 45 E 4.6120 8.4683 120.4288 54.3175 31.4196 177.0671 46 A 3.4990 8.2918 126.0361 55.2118 18.6286 179.1877 47 R 3.9570 7.7023 113.7403 59.3550 30.3072 177.9441 48 N 4.4072 7.9448 113.7327 55.1534 39.2064 175.0034 49 L 4.4429 7.3725 119.5200 53.1277 42.3877 177.5126 50 E 4.0917 8.9082 124.2065 58.9660 29.6422 178.5146 51 W 4.4353 8.0245 114.9661 58.7053 28.9746 176.8600 52 T 3.7326 6.5870 108.9550 61.0695 68.5843 174.8102 53 D 4.5419 8.4773 122.7450 56.2975 41.6481 177.2595 54 T 3.9901 7.2495 114.6413 67.0694 68.8871 176.1388 55 A 3.9966 7.6239 122.8453 54.9230 18.5844 177.4942 56 R 4.1517 7.7402 114.9308 56.3673 29.8660 176.1708 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 4 R 8.11 4.33 0.00 1.88 1.82 0.00 2.98 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 5 E 8.40 4.66 0.00 1.99 1.75 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 2.17 2.36 0.00 6 C 9.21 4.26 0.00 3.20 3.01 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 0.00 0.00 0.00 0.00 7 D 8.21 4.73 0.00 2.69 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 8 Y 7.53 4.51 0.00 2.77 2.99 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 0.00 0.00 0.00 0.00 9 C 8.28 3.99 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 10 G 8.41 3.97 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 0.00 0.00 0.00 11 T 7.58 4.21 4.32 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 1.31 0.00 0.00 12 D 8.70 4.53 0.00 2.61 2.72 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 13 I 7.77 3.93 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.61 0.98 0.00 0.00 14 E 8.83 4.14 0.00 2.07 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 2.39 2.37 0.00 15 P 0.00 4.34 0.00 2.22 2.05 0.00 3.83 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 2.00 1.97 0.00 16 G 10.24 3.88 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 0.00 0.00 0.00 17 T 7.65 4.38 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 1.24 0.00 0.00 18 G 7.67 4.50 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 0.00 19 T 7.86 4.71 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 20 M 8.84 4.49 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 21 F 9.26 4.84 0.00 3.33 3.16 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 0.00 22 V 7.92 4.33 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 0.73 0.00 0.00 0.85 0.00 0.00 23 H 8.55 4.37 0.00 3.00 3.14 0.00 5.72 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.91 3.82 0.00 1.71 1.88 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.53 7.81 25 D 8.04 4.39 0.00 2.81 2.78 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 26 G 7.30 3.20 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 0.00 0.00 0.00 0.00 27 A 7.96 4.20 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 28 T 8.26 4.86 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29 T 8.78 4.52 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 0.79 0.00 0.00 30 H 8.55 5.31 0.00 3.06 3.18 0.00 5.75 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 31 F 8.75 5.18 0.00 3.07 3.01 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 0.00 0.00 0.00 0.00 32 C 9.26 4.32 0.00 3.17 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.73 4.72 0.00 3.98 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 34 S 8.52 4.18 0.00 3.98 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 35 K 8.06 3.73 0.00 1.77 1.87 0.00 1.43 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.34 1.35 7.81 36 C 7.73 4.36 0.00 3.05 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.50 2.54 0.00 1.69 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 1.47 2.20 0.00 38 N 7.63 4.31 0.00 2.72 2.76 0.00 0.00 7.05 8.19 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 39 N 7.75 4.42 0.00 3.13 3.18 0.00 0.00 6.84 7.20 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 40 A 7.44 4.13 1.20 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 0.00 0.00 0.00 41 D 7.38 4.35 0.00 2.71 2.65 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 42 L 7.44 4.20 0.00 1.84 1.76 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.68 4.15 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 0.00 0.00 0.00 44 R 7.58 4.24 0.00 2.11 1.98 0.00 3.30 0.00 0.00 3.38 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 45 E 8.47 4.61 0.00 1.99 1.79 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 2.34 2.31 0.00 46 A 8.29 3.50 0.55 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 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.70 3.96 0.00 1.73 1.92 0.00 3.15 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 48 N 7.94 4.41 0.00 2.82 2.86 0.00 0.00 6.87 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 49 L 7.37 4.44 0.00 1.26 1.28 1.15 0.93 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 50 E 8.91 4.09 0.00 2.04 2.07 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 2.32 2.33 0.00 51 W 8.02 4.44 0.00 3.54 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 6.59 3.73 3.83 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 0.03 0.00 0.00 53 D 8.48 4.54 0.00 2.65 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 T 7.25 3.99 4.02 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 1.08 0.00 0.00 55 A 7.62 4.00 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 56 R 7.74 4.15 0.00 1.92 1.91 0.00 3.09 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00