NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4478 8.3349 115.2989 57.8136 63.7784 173.4860 8 D 4.4766 8.4386 127.1542 52.8121 41.9786 174.3054 9 F 5.5219 8.0569 114.8890 55.5029 42.0018 173.2713 10 V 4.6935 9.2335 119.6220 61.2159 34.5368 174.2442 11 V 4.6183 9.0006 127.8026 61.6795 33.4457 174.4484 12 I 4.8785 8.9322 128.8248 59.4841 40.3717 174.2416 13 K 5.0167 9.2418 129.6597 54.2254 34.2750 175.1388 14 A 4.3767 8.9063 130.7645 52.4117 18.7807 177.5375 15 L 4.6327 8.6872 122.6435 55.0566 42.7070 175.8809 16 E 4.8326 7.8049 115.9769 54.2108 33.8029 174.5306 17 D 4.6361 8.6562 119.4948 55.4323 41.3792 176.7041 18 G 3.8320 8.6497 109.7576 46.2807 0.0000 173.8500 19 V 3.9123 7.9970 120.4165 62.6980 32.8622 174.3851 20 N 5.3498 9.2600 125.4440 51.4767 41.2820 173.7625 21 V 4.6568 8.6655 124.0825 61.4093 33.7362 174.0800 22 I 4.5764 8.8258 130.0135 59.4029 39.7039 175.0175 23 G 4.2467 9.2212 115.0692 44.8147 0.0000 172.6839 24 L 5.6315 9.1397 126.0025 53.1221 43.9653 176.2295 25 T 4.6972 8.5037 119.2679 63.2623 69.3052 174.5133 26 R 4.2230 8.0325 127.7328 55.5242 30.8186 176.1104 27 G 4.1376 9.0196 111.4557 42.8767 0.0000 172.8134 28 A 4.1082 8.4428 122.5924 54.3986 18.3729 177.6525 29 D 5.0668 7.8299 112.9325 52.7250 43.8507 175.4737 30 T 4.7980 8.3342 117.5503 61.8870 71.3364 173.4399 31 R 4.6189 8.3699 121.5061 53.9724 33.8041 174.8903 32 F 5.1235 8.6313 118.7643 57.9888 38.1233 174.8858 33 H 4.7048 9.0298 121.2284 57.8732 29.7171 175.4942 34 H 4.7751 7.5924 117.1452 54.6793 33.3890 172.0666 35 S 4.8789 8.1067 119.4187 56.4302 64.4947 172.5274 36 E 4.5528 9.4410 129.1208 54.8032 31.6573 174.1920 37 K 4.8618 8.4801 126.4014 54.7229 34.2371 175.1916 38 L 4.8460 9.0774 127.1597 53.1563 44.8882 175.4458 39 D 4.9103 9.8358 124.8922 52.8935 42.8823 176.1054 40 K 4.3443 7.7655 121.7414 57.7578 32.0361 176.5420 41 G 3.9664 9.4043 115.9274 45.0265 0.0000 172.7169 42 E 4.3968 8.0663 120.0529 55.6033 31.0910 175.5370 43 V 4.8157 8.3069 123.0021 61.0179 33.9987 174.3172 44 L 4.7151 9.1421 129.4537 53.3174 44.8540 174.7726 45 I 4.8610 8.4458 126.8532 59.6663 38.9123 174.8537 46 A 4.6840 8.9120 129.1059 50.1061 21.8058 175.0027 47 Q 4.8644 8.6941 121.5199 55.1376 30.2874 175.8313 48 F 4.4206 8.8517 122.2933 57.6844 39.6550 174.9706 49 T 4.7744 8.9502 113.1343 59.1845 71.9161 173.2467 50 E 4.0325 9.0046 121.3795 59.5898 29.4738 177.3971 51 H 4.5572 8.1997 113.9354 56.5524 29.8810 174.2818 52 T 5.2099 7.8594 116.6042 61.6862 70.5279 174.4672 53 S 5.1985 9.0825 118.9619 57.7750 65.1895 173.3506 54 A 5.2565 8.1022 122.4298 51.2762 22.4484 175.2259 55 I 4.7321 8.7658 123.4521 59.2787 39.7158 174.9267 56 K 4.5530 9.1739 128.3216 54.4895 34.8030 174.5998 57 V 4.7567 8.4564 127.1480 61.2377 33.3648 174.2784 58 R 4.4572 9.3458 129.4726 55.7135 31.9803 176.5322 59 G 4.1901 9.0295 111.3791 44.9030 0.0000 172.8322 60 K 4.0305 9.4767 119.9980 57.0662 32.8358 176.0059 61 A 5.0709 8.4449 125.1567 50.9354 22.6706 174.1955 62 Y 4.5968 9.4201 121.8015 56.3311 40.7519 174.4954 63 I 5.0445 7.7958 126.4777 59.5190 41.0421 174.1408 64 Q 5.0495 9.0767 126.0034 54.3293 30.4847 174.9093 65 T 4.8322 8.3314 113.0383 59.4529 72.3441 174.7039 66 R 3.9781 8.6023 120.4932 59.4859 30.0698 177.1520 67 H 4.7089 7.3638 114.6888 56.6604 30.7142 175.1954 68 G 4.0119 7.4345 111.2408 45.2692 0.0000 173.8745 69 V 4.4695 8.5629 125.2121 62.6908 30.7811 172.8408 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 7 S 8.33 4.45 0.00 3.90 3.93 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 0.00 0.00 0.00 0.00 8 D 8.44 4.48 0.00 2.75 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 9 F 8.06 5.52 0.00 2.96 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 10 V 9.23 4.69 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 1.10 0.00 0.00 1.06 0.00 0.00 11 V 9.00 4.62 2.17 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 1.07 0.00 0.00 1.10 0.00 0.00 12 I 8.93 4.88 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.37 0.92 0.00 0.00 13 K 9.24 5.02 0.00 1.86 1.83 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.37 7.81 14 A 8.91 4.38 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 15 L 8.69 4.63 0.00 1.74 1.74 1.04 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.80 4.83 0.00 1.97 2.01 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 2.46 2.32 0.00 17 D 8.66 4.64 0.00 2.67 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 18 G 8.65 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 0.00 0.00 0.00 0.00 19 V 8.00 3.91 2.21 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 0.90 0.00 0.00 1.03 0.00 0.00 20 N 9.26 5.35 0.00 2.63 2.57 0.00 0.00 6.19 7.32 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 21 V 8.67 4.66 2.02 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 0.89 0.00 0.00 0.89 0.00 0.00 22 I 8.83 4.58 1.25 0.00 0.00 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 0.61 0.02 0.20 0.00 0.00 23 G 9.22 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 24 L 9.14 5.63 0.00 1.87 1.72 1.14 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.50 4.70 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 1.25 0.00 0.00 26 R 8.03 4.22 0.00 1.86 1.95 0.00 3.38 0.00 0.00 3.08 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.45 0.00 27 G 9.02 4.14 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 0.00 28 A 8.44 4.11 1.30 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 0.00 0.00 0.00 29 D 7.83 5.07 0.00 2.64 2.55 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 30 T 8.33 4.80 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 1.31 0.00 0.00 31 R 8.37 4.62 0.00 1.96 1.96 0.00 2.81 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 32 F 8.63 5.12 0.00 2.92 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 33 H 9.03 4.70 0.00 3.19 3.51 0.00 5.77 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.59 4.78 0.00 3.26 3.02 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.11 4.88 0.00 3.64 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.44 4.55 0.00 2.10 1.74 0.00 0.00 0.00 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 2.27 0.00 37 K 8.48 4.86 0.00 1.74 1.65 0.00 1.64 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.48 7.81 38 L 9.08 4.85 0.00 1.53 1.52 0.91 0.92 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 39 D 9.84 4.91 0.00 2.67 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.77 4.34 0.00 1.73 1.72 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.50 7.81 41 G 9.40 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 42 E 8.07 4.40 0.00 2.08 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 2.29 2.24 0.00 43 V 8.31 4.82 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 0.78 0.00 0.00 0.94 0.00 0.00 44 L 9.14 4.72 0.00 1.69 1.44 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.45 4.86 1.71 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.56 0.58 0.00 0.00 46 A 8.91 4.68 1.10 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 47 Q 8.69 4.86 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.88 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 48 F 8.85 4.42 0.00 2.98 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 49 T 8.95 4.77 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 1.31 0.00 0.00 50 E 9.00 4.03 0.00 1.94 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 0.00 1.96 2.25 0.00 51 H 8.20 4.56 0.00 3.25 3.26 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.86 5.21 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 1.22 0.00 0.00 53 S 9.08 5.20 0.00 3.95 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 54 A 8.10 5.26 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 55 I 8.77 4.73 1.74 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.35 0.82 0.00 0.00 56 K 9.17 4.55 0.00 1.75 1.49 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.37 7.81 57 V 8.46 4.76 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 0.82 0.00 0.00 0.91 0.00 0.00 58 R 9.35 4.46 0.00 1.81 1.70 0.00 3.10 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 59 G 9.03 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.48 4.03 0.00 1.86 1.81 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.43 7.81 61 A 8.44 5.07 1.28 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 0.00 0.00 62 Y 9.42 4.60 0.00 3.03 2.84 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 0.00 0.00 0.00 63 I 7.80 5.04 1.77 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.05 0.92 0.00 0.00 64 Q 9.08 5.05 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.18 2.12 0.00 65 T 8.33 4.83 4.14 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 1.22 0.00 0.00 66 R 8.60 3.98 0.00 1.63 1.84 0.00 3.15 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 67 H 7.36 4.71 0.00 3.29 3.27 0.00 5.74 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 68 G 7.43 4.01 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 0.00 0.00 0.00 69 V 8.56 4.47 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 0.96 0.00 0.00 0.47 0.00 0.00