NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4650 8.2493 123.5820 51.9653 20.8304 178.6301 2 K 4.4861 9.0591 122.1132 54.2154 32.4016 176.9658 3 T 4.3696 9.2943 103.8014 61.1009 72.1146 171.5996 4 I 3.4754 7.8928 130.4894 60.2100 37.5454 172.2451 5 K 5.2104 9.4216 124.3975 54.5606 35.7945 175.4690 6 I 5.4029 8.5813 117.6635 58.6025 41.1454 174.4509 7 T 4.8531 8.2051 118.3759 61.7228 71.9201 174.9980 8 Q 3.8056 8.7794 123.3561 57.0179 29.9549 177.2263 9 T 3.3657 7.8809 112.7158 63.4262 67.3294 172.5668 10 R 4.5029 5.8400 121.6449 54.6392 32.8552 176.6270 11 S 4.2218 8.3987 114.0872 58.7027 62.9363 173.7047 12 A 4.7669 8.0523 126.3402 51.8420 18.7464 178.3887 13 I 3.8188 6.9173 122.8380 64.6788 38.0687 177.3613 14 G 3.9903 7.6800 113.0426 45.8513 0.0000 173.2630 15 R 4.7180 7.5001 116.4721 53.5263 33.0688 176.8406 16 L 4.0394 8.2757 119.9922 54.6909 42.5200 176.8340 17 P 4.2295 0.0000 0.0000 65.8678 31.3786 178.5122 18 K 4.2944 8.0413 113.6527 58.0154 32.2335 177.2460 19 H 4.8094 8.4476 116.6758 57.7956 29.7420 176.8712 20 K 3.6206 8.2391 117.9521 59.4908 32.0958 178.7831 21 A 4.1474 8.1964 121.1188 55.4264 18.2783 179.6223 22 T 3.8083 7.9413 107.6478 65.0284 68.2200 175.6684 23 L 3.8971 8.6302 124.0517 57.8800 41.9370 178.9135 24 L 3.8872 8.0686 120.0917 58.2657 41.9686 179.0501 25 G 4.1119 8.1846 103.6233 47.7042 0.0000 174.4313 26 L 4.3690 7.5673 119.6691 54.7376 42.2222 178.0174 27 G 3.8830 8.5136 106.4639 44.7174 0.0000 172.8762 28 L 4.0131 7.0690 119.2734 55.5646 40.8263 176.6779 29 R 4.0629 7.5207 123.9572 57.7748 30.9695 179.1358 30 R 4.2953 7.3061 116.3298 55.4323 31.6029 177.3901 31 I 4.0218 8.1921 111.1218 62.6056 37.7429 176.6640 32 G 4.1293 7.6982 108.4009 45.5532 0.0000 173.0713 33 H 4.0215 7.7711 119.8111 58.5686 29.9130 171.5140 34 T 4.0740 8.2339 121.7922 62.4065 68.7384 171.8941 35 V 4.3860 7.8366 123.7350 59.7249 34.6758 173.4257 36 E 4.9452 8.6388 122.0737 54.4331 30.4952 174.4913 37 R 4.6608 8.5368 129.9831 56.4170 32.8805 173.4613 38 E 4.7023 8.7600 117.9946 55.6153 31.8121 177.2177 39 D 4.6324 8.5052 126.3378 55.9688 43.1332 175.3371 40 T 3.9614 8.0189 114.8195 63.0198 69.2100 173.2338 41 P 4.2393 0.0000 0.0000 65.7956 31.2768 178.7299 42 A 4.1183 7.8852 119.0323 54.8373 18.4986 178.9797 43 I 3.7990 7.6617 115.2129 63.0568 38.2834 177.0027 44 R 4.3923 7.5020 118.0860 58.4579 30.4813 178.1706 45 G 3.6414 7.8580 105.6179 48.0058 0.0000 175.4723 46 M 4.0788 7.9837 119.5954 58.5318 32.2807 178.1548 47 I 3.7163 7.8286 119.2062 64.2054 37.2736 177.4326 48 N 4.1371 8.3997 117.1593 56.9699 38.6632 176.4790 49 A 4.0737 7.5925 120.3749 54.9354 18.6782 180.2643 50 V 4.6797 7.7513 110.1704 60.7786 32.7354 178.5618 51 S 4.2745 8.1149 115.9972 61.8924 62.4540 175.5655 52 F 3.9971 8.7407 116.4349 59.4217 37.7072 176.4935 53 M 3.4843 6.8120 120.3718 57.8141 31.8642 177.0758 54 V 4.9005 7.7973 110.6839 60.1334 33.7014 176.4453 55 K 4.3919 8.3028 121.6576 54.4182 33.7777 175.5188 56 V 4.2283 8.2762 126.2224 63.3502 32.6446 174.3946 57 E 4.8087 8.3676 120.3862 55.6864 34.5962 176.0623 58 E 4.2457 8.6748 120.8996 56.6518 30.2893 176.0281 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 8.25 4.46 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 2 K 9.06 4.49 0.00 1.95 1.04 0.00 1.53 0.00 0.00 1.73 0.00 0.00 3.18 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.43 7.81 3 T 9.29 4.37 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 1.23 0.00 0.00 4 I 7.89 3.48 2.03 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 1.46 0.70 0.96 0.00 0.00 5 K 9.42 5.21 0.00 1.59 1.63 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.34 7.81 6 I 8.58 5.40 1.85 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 1.22 2.24 0.93 0.00 0.00 7 T 8.21 4.85 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 1.22 0.00 0.00 8 Q 8.78 3.81 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.29 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 9 T 7.88 3.37 4.30 0.00 0.00 0.00 0.00 0.00 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 10 R 5.84 4.50 0.00 1.74 1.79 0.00 3.17 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.49 0.00 11 S 8.40 4.22 0.00 3.81 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 4.77 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 13 I 6.92 3.82 1.88 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 1.23 0.58 0.92 0.00 0.00 14 G 7.68 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 0.00 0.00 0.00 15 R 7.50 4.72 0.00 1.84 1.97 0.00 3.36 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 16 L 8.28 4.04 0.00 1.38 1.51 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.23 0.00 2.17 2.11 0.00 3.58 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 2.11 2.11 0.00 18 K 8.04 4.29 0.00 1.77 1.91 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.42 7.81 19 H 8.45 4.81 0.00 3.53 3.39 0.00 5.83 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 8.24 3.62 0.00 1.74 1.91 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.28 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.47 1.68 7.81 21 A 8.20 4.15 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 3.81 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 1.29 0.00 0.00 23 L 8.63 3.90 0.00 1.87 1.84 0.97 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.07 3.89 0.00 1.81 1.94 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.18 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 0.00 0.00 0.00 26 L 7.57 4.37 0.00 1.74 1.73 0.91 0.92 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 27 G 8.51 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 28 L 7.07 4.01 0.00 1.48 1.90 0.90 0.86 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 29 R 7.52 4.06 0.00 1.52 1.72 0.00 3.12 0.00 0.00 3.16 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.28 0.00 30 R 7.31 4.30 0.00 1.91 1.87 0.00 3.14 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 31 I 8.19 4.02 1.85 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 1.34 0.51 0.89 0.00 0.00 32 G 7.70 4.13 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 0.00 33 H 7.77 4.02 0.00 3.22 3.35 0.00 6.09 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.23 4.07 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 1.22 0.00 0.00 35 V 7.84 4.39 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 0.84 0.00 0.00 0.89 0.00 0.00 36 E 8.64 4.95 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 37 R 8.54 4.66 0.00 1.82 1.60 0.00 3.33 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 1.52 1.61 0.00 38 E 8.76 4.70 0.00 1.85 1.69 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 2.23 2.34 0.00 39 D 8.51 4.63 0.00 2.57 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 40 T 8.02 3.96 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 41 P 0.00 4.24 0.00 2.15 2.13 0.00 3.59 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 2.12 2.18 0.00 42 A 7.89 4.12 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 43 I 7.66 3.80 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 1.41 0.73 1.00 0.00 0.00 44 R 7.50 4.39 0.00 2.07 2.09 0.00 3.20 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 45 G 7.86 3.64 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 0.00 0.00 0.00 46 M 7.98 4.08 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.65 0.00 47 I 7.83 3.72 2.07 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 1.72 0.88 0.91 0.00 0.00 48 N 8.40 4.14 0.00 2.81 3.05 0.00 0.00 7.22 7.62 0.00 0.00 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 7.59 4.07 1.39 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 50 V 7.75 4.68 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 0.92 0.00 0.00 1.02 0.00 0.00 51 S 8.11 4.27 0.00 4.11 4.31 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 52 F 8.74 4.00 0.00 3.22 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 53 M 6.81 3.48 0.00 1.74 1.49 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.00 0.00 54 V 7.80 4.90 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 0.71 0.00 0.00 0.99 0.00 0.00 55 K 8.30 4.39 0.00 1.74 1.61 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.75 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.40 7.81 56 V 8.28 4.23 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 0.89 0.00 0.00 0.93 0.00 0.00 57 E 8.37 4.81 0.00 2.10 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 2.18 2.37 0.00 58 E 8.67 4.25 0.00 1.88 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 2.19 2.31 0.00