NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.4745 8.3644 120.4781 53.6487 43.1520 175.2291 2 S 4.3523 7.4888 114.5508 56.6862 61.5044 172.2366 3 F 3.6150 9.6104 120.6869 57.0562 38.0570 175.2319 4 W 3.2609 8.2342 116.5912 57.2062 25.8701 173.4091 5 N 4.5515 7.7324 114.0884 52.8430 39.1218 174.3898 6 P 4.4384 0.0000 0.0000 65.5037 31.4339 176.7429 7 N 4.3118 7.8101 117.9302 52.4686 39.8780 177.5946 8 A 3.4922 7.3270 123.3932 53.4364 18.5923 175.8398 9 F 4.5544 8.2825 111.6763 57.7402 39.8624 176.9229 10 E 4.4502 7.3866 120.1130 56.3936 31.3519 175.5091 11 T 4.4265 8.2196 116.0850 63.4291 70.9789 174.4853 12 D 4.7713 8.5362 121.5765 54.2776 39.1298 175.2147 13 S 4.5042 8.4554 110.1175 59.1385 64.8583 174.4399 14 D 4.6564 7.2847 115.0362 53.0073 42.4281 174.5048 15 L 4.4004 7.8245 120.2079 53.9629 43.3370 176.9866 16 P 4.6472 0.0000 0.0000 62.6020 33.0262 174.7395 17 A 4.2691 8.5392 121.8748 52.8464 19.2784 178.1472 18 G 3.8191 9.3662 110.8600 44.5931 0.0000 172.1516 19 W 4.9963 7.7570 118.3859 54.9284 32.0477 174.7375 20 M 4.8305 9.0331 122.6956 53.5217 35.6629 174.7805 21 R 4.5074 8.5276 119.9500 54.8865 31.8926 174.7108 22 V 4.1287 7.2613 126.3361 61.0704 34.7121 174.4631 23 Q 4.8582 8.2151 124.8835 53.9494 28.8171 174.2821 24 D 4.7659 8.7680 122.8810 52.9868 42.4665 176.9843 25 T 4.0085 8.4486 115.8074 64.8241 67.4363 175.1891 26 S 4.3461 8.4122 116.6527 58.7840 63.4551 174.2124 27 G 4.2526 7.2546 108.4002 45.0126 0.0000 171.1982 28 T 5.0824 8.3713 116.4538 62.8263 68.7491 173.5345 29 Y 4.9074 7.6316 128.6663 55.7357 41.6627 173.4780 30 Y 5.5068 8.5305 114.6527 55.3611 42.5148 174.3488 31 W 5.2216 8.8114 133.5170 55.9881 33.1765 174.1532 32 H 3.7513 9.1188 128.6425 55.4095 29.2381 175.7656 33 I 3.1003 7.6147 128.7229 63.7597 36.9879 176.4422 34 P 4.1338 0.0000 0.0000 65.6565 31.2441 177.3568 35 T 3.9286 7.2156 113.7829 61.4692 67.7528 176.4151 36 G 4.6480 7.9445 108.4273 45.4567 0.0000 173.6846 37 T 4.3292 7.2844 115.8234 64.1357 69.7183 173.2051 38 T 5.3990 8.5135 112.3752 60.6146 72.1938 172.8981 39 Q 4.8792 8.9949 120.3618 54.9682 33.6899 175.1915 40 W 5.2722 9.1145 115.7407 56.5676 31.5459 174.8083 41 E 4.8329 8.0591 117.3383 53.2597 32.1869 173.8652 42 P 3.4303 0.0000 0.0000 61.4578 31.1052 174.6016 43 P 3.9477 0.0000 0.0000 62.3868 31.4357 177.7320 44 G 3.9672 7.8140 114.3200 44.1050 0.0000 172.6428 45 R 3.7401 7.6315 117.0853 56.6724 30.1108 176.1242 46 A 4.3856 8.2287 129.2997 50.9231 20.0012 175.1320 47 S 4.6128 8.2016 117.6286 56.6228 62.5302 173.2366 48 P 4.5122 0.0000 0.0000 64.5961 31.6200 178.0396 49 S 4.4087 7.8670 114.9681 59.9873 63.5994 173.7941 50 Q 4.1035 7.7136 125.2361 56.1032 29.0695 174.4082 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 D 8.36 4.47 0.00 2.61 2.73 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 2 S 7.49 4.35 0.00 3.92 3.99 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 3 F 9.61 3.62 0.00 3.37 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 4 W 8.23 3.26 0.00 3.53 3.32 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 5 N 7.73 4.55 0.00 2.77 2.84 0.00 0.00 6.89 7.93 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 6 P 0.00 4.44 0.00 2.21 2.23 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 7 N 7.81 4.31 0.00 2.73 2.70 0.00 0.00 7.33 8.12 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 8 A 7.33 3.49 1.24 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 0.00 0.00 0.00 9 F 8.28 4.55 0.00 3.01 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 10 E 7.39 4.45 0.00 2.38 2.13 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 2.44 2.33 0.00 11 T 8.22 4.43 4.29 0.00 0.00 0.00 0.00 0.00 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 12 D 8.54 4.77 0.00 2.81 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.46 4.50 0.00 4.00 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 0.00 14 D 7.28 4.66 0.00 2.62 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.82 4.40 0.00 1.81 1.74 0.66 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.65 0.00 2.20 2.09 0.00 3.71 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.84 0.00 17 A 8.54 4.27 1.27 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 0.00 0.00 0.00 18 G 9.37 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 19 W 7.76 5.00 0.00 3.12 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 20 M 9.03 4.83 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.29 0.00 21 R 8.53 4.51 0.00 1.76 1.73 0.00 3.17 0.00 0.00 3.10 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.08 0.00 22 V 7.26 4.13 0.67 0.00 0.00 0.00 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 0.82 0.00 0.00 23 Q 8.22 4.86 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 24 D 8.77 4.77 0.00 3.05 2.71 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 25 T 8.45 4.01 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 26 S 8.41 4.35 0.00 4.21 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 27 G 7.25 4.25 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 0.00 28 T 8.37 5.08 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 1.02 0.00 0.00 29 Y 7.63 4.91 0.00 2.14 1.66 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 0.00 0.00 0.00 0.00 30 Y 8.53 5.51 0.00 3.10 3.26 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 31 W 8.81 5.22 0.00 3.52 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 32 H 9.12 3.75 0.00 2.71 2.89 0.00 5.66 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.61 3.10 1.51 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.05 0.57 0.00 0.00 34 P 0.00 4.13 0.00 1.94 1.96 0.00 3.03 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.61 0.00 35 T 7.22 3.93 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 0.84 0.00 0.00 36 G 7.94 4.65 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 37 T 7.28 4.33 4.37 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 1.36 0.00 0.00 38 T 8.51 5.40 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 1.32 0.00 0.00 39 Q 8.99 4.88 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.85 0.00 40 W 9.11 5.27 0.00 3.32 3.35 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 41 E 8.06 4.83 0.00 1.87 1.80 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 2.33 2.38 0.00 42 P 0.00 3.43 0.00 2.00 1.99 0.00 3.72 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 1.89 1.92 0.00 43 P 0.00 3.95 0.00 1.31 0.92 0.00 2.73 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.44 0.00 44 G 7.81 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 45 R 7.63 3.74 0.00 1.72 1.87 0.00 3.24 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 46 A 8.23 4.39 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 47 S 8.20 4.61 0.00 3.97 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 48 P 0.00 4.51 0.00 2.19 2.20 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 1.98 1.97 0.00 49 S 7.87 4.41 0.00 3.87 3.95 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 50 Q 7.71 4.10 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.55 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00