NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 A 4.3652 8.2493 123.5820 52.3509 19.8576 175.1501 11 Q 4.3521 8.1930 123.7136 56.2523 32.3591 173.7372 12 A 3.8949 8.3329 121.6854 55.6208 19.7782 178.9074 13 R 3.4300 7.5434 109.7994 58.3141 30.4293 176.4093 14 K 4.4090 12.0000 117.7458 57.7410 35.2606 177.8800 15 L 4.0397 8.0345 117.7518 56.6887 41.6866 176.2427 16 V 4.1888 6.8031 114.6395 64.9958 34.1630 178.7317 17 E 3.6958 7.0085 118.0041 58.2561 29.0968 179.2666 18 Q 4.0322 8.1519 118.5088 58.7317 29.2864 177.4592 19 L 4.2423 7.7596 117.5965 56.8059 41.9777 178.6767 20 K 4.0981 10.5354 119.2064 58.5281 32.1706 177.6343 21 M 4.4092 7.6769 115.1033 55.2395 32.1693 176.3227 22 E 4.3708 7.4326 115.4196 56.2779 31.7088 175.1854 23 A 4.0956 8.0726 121.1830 52.6455 18.9450 175.7204 24 N 4.6585 8.6602 117.8583 52.7057 39.7878 178.2463 25 I 3.0866 8.7101 119.8386 61.9923 39.2998 171.7576 26 D 5.1507 7.9288 118.1328 54.6628 41.3092 175.7346 27 R 4.7643 8.0669 116.5111 56.5011 32.6226 174.5664 28 I 3.7067 8.0364 130.4670 66.8758 35.8390 179.3076 29 K 4.8479 7.1973 117.4207 56.3470 29.0984 176.5549 30 V 3.5487 8.3503 125.0243 65.9080 31.8426 178.2322 31 S 4.0200 8.1712 113.4403 61.2380 62.8693 175.4429 32 K 4.0581 12.0000 121.5148 59.0876 30.9386 179.3577 33 A 3.6287 7.6592 120.4395 54.5513 18.9748 179.0124 34 A 3.7928 8.8030 117.1922 54.1911 18.6144 178.7091 35 A 4.1528 8.7842 120.4297 53.5180 18.5802 181.5448 36 D 4.0610 7.1711 112.9415 55.2951 41.9067 178.6900 37 L 3.5645 7.9199 112.8536 59.0883 41.5383 178.7148 38 M 4.0304 7.1967 125.9695 58.1339 32.9446 176.0000 39 A 5.4369 7.3428 120.7120 51.1244 19.8062 177.0492 40 Y 4.1968 10.2075 121.7242 61.4157 39.5813 173.6163 41 C 4.4260 8.4237 121.4520 58.4571 28.6146 173.4770 42 E 4.5827 8.1198 122.6102 56.2110 32.4307 176.4771 43 A 3.9584 7.8914 122.0783 55.8543 18.5804 179.0529 44 H 4.6962 8.2170 111.7557 56.2709 29.0573 176.4502 45 A 4.4451 8.0910 121.6726 52.3785 19.3413 179.0465 46 K 4.6731 7.8543 115.7806 55.8168 32.5238 176.4363 47 E 4.5744 7.8781 111.5055 56.8760 31.0928 175.3528 48 D 4.5951 8.0309 120.9819 52.7899 39.8073 174.4306 49 P 4.3869 0.0000 0.0000 64.9422 31.6035 177.7065 50 L 4.4071 7.7421 116.0519 55.8619 43.8949 177.8347 51 L 3.8153 9.3470 120.7307 56.5304 40.3592 179.9395 52 T 3.4241 7.9649 110.7072 62.5159 66.4452 170.7827 53 P 4.9195 0.0000 0.0000 61.5712 33.6305 174.8591 54 V 4.0600 8.3653 114.9207 62.7229 33.8637 171.7914 55 P 3.8763 0.0000 0.0000 62.8711 28.3928 176.2014 56 A 3.9133 7.6529 126.6420 54.2150 19.4008 176.7077 57 S 4.8205 7.4648 109.4053 56.3604 65.6234 173.1063 58 E 3.8512 8.5746 119.9192 59.3661 29.3002 177.1479 59 N 4.8404 7.7626 114.0568 51.3478 40.0717 171.5525 60 P 4.7900 0.0000 0.0000 62.2350 31.9591 177.8685 61 F 4.8721 7.9321 112.7302 58.0784 41.0002 174.7770 62 R 4.2622 7.8475 125.9072 56.6178 31.0253 174.9970 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 10 A 8.25 4.37 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 11 Q 8.19 4.35 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.01 0.00 0.00 0.00 0.00 0.00 2.11 2.36 0.00 12 A 8.33 3.89 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 13 R 7.54 3.43 0.00 1.86 2.45 0.00 3.18 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 14 K 12.00 4.41 0.00 1.80 1.74 0.00 1.73 0.00 0.00 1.57 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.34 7.81 15 L 8.03 4.04 0.00 1.60 1.69 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 16 V 6.80 4.19 2.16 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 0.94 0.00 0.00 0.93 0.00 0.00 17 E 7.01 3.70 0.00 2.24 1.97 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 2.84 2.30 0.00 18 Q 8.15 4.03 0.00 2.33 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 19 L 7.76 4.24 0.00 1.65 1.71 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 20 K 10.54 4.10 0.00 1.95 1.84 0.00 2.03 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.44 7.81 21 M 7.68 4.41 0.00 2.60 2.16 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 2.51 2.51 0.00 22 E 7.43 4.37 0.00 2.14 2.25 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 2.26 2.20 0.00 23 A 8.07 4.10 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 24 N 8.66 4.66 0.00 2.67 2.53 0.00 0.00 7.31 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 8.71 3.09 1.87 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 0.42 0.91 0.00 0.00 26 D 7.93 5.15 0.00 2.77 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 27 R 8.07 4.76 0.00 1.81 1.91 0.00 3.22 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.43 0.00 28 I 8.04 3.71 1.87 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 1.42 1.09 0.92 0.00 0.00 29 K 7.20 4.85 0.00 1.84 1.96 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.50 1.41 7.81 30 V 8.35 3.55 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 1.01 0.00 0.00 0.93 0.00 0.00 31 S 8.17 4.02 0.00 4.01 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 32 K 12.00 4.06 0.00 1.88 2.14 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.38 7.81 33 A 7.66 3.63 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 34 A 8.80 3.79 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.78 4.15 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 36 D 7.17 4.06 0.00 2.76 2.75 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 37 L 7.92 3.56 0.00 1.96 1.56 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 38 M 7.20 4.03 0.00 2.01 2.15 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 2.65 2.62 0.00 39 A 7.34 5.44 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 40 Y 10.21 4.20 0.00 3.16 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 41 C 8.42 4.43 0.00 3.21 3.22 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 0.00 42 E 8.12 4.58 0.00 1.91 1.95 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 2.22 2.55 0.00 43 A 7.89 3.96 1.13 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 0.00 0.00 44 H 8.22 4.70 0.00 2.91 3.26 0.00 5.84 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 45 A 8.09 4.45 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 46 K 7.85 4.67 0.00 1.65 1.74 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.43 7.81 47 E 7.88 4.57 0.00 2.02 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 2.26 0.00 48 D 8.03 4.60 0.00 2.73 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.39 0.00 2.10 2.16 0.00 3.74 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 50 L 7.74 4.41 0.00 1.64 1.73 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 51 L 9.35 3.82 0.00 1.70 1.32 1.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.96 3.42 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 53 P 0.00 4.92 0.00 2.04 2.01 0.00 3.72 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.05 0.00 54 V 8.37 4.06 2.10 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 0.73 0.00 0.00 0.94 0.00 0.00 55 P 0.00 3.88 0.00 2.50 2.13 0.00 3.77 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 2.00 2.12 0.00 56 A 7.65 3.91 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 57 S 7.46 4.82 0.00 3.97 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.57 3.85 0.00 1.93 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 2.26 2.36 0.00 59 N 7.76 4.84 0.00 3.06 2.60 0.00 0.00 6.91 8.02 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 60 P 0.00 4.79 0.00 1.49 1.81 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.99 0.00 61 F 7.93 4.87 0.00 2.91 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 62 R 7.85 4.26 0.00 1.76 1.77 0.00 3.27 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00