NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3916 8.4293 120.2369 54.8260 33.6058 179.2163 2 K 3.4392 9.2823 115.0117 56.2297 34.1272 176.8976 3 Q 3.1781 9.9076 115.6696 57.0354 30.9747 174.7579 4 V 3.4687 8.3748 115.1158 65.9411 32.9739 176.4705 5 F 4.4589 7.4409 118.8757 57.1094 37.6362 173.5181 6 S 4.9475 7.4527 115.1765 56.8483 66.7274 174.5788 7 R 4.6239 8.5001 118.4458 54.5039 32.1860 175.6562 8 M 4.6101 8.6235 124.7296 54.3295 32.8173 174.1059 9 P 4.5263 0.0000 0.0000 62.4311 32.3208 176.0080 10 I 3.8399 8.7299 123.5464 61.4359 37.1902 175.3904 11 C 4.8167 8.2334 123.4038 55.0702 40.9808 172.6174 12 E 4.4661 7.7599 121.2061 56.0816 31.4334 174.6776 13 H 4.6012 8.5525 118.5609 54.3681 30.7940 173.3541 14 M 4.1865 8.3495 126.3698 55.3670 32.4787 176.9781 15 T 3.9365 8.5314 111.7860 65.2381 69.3210 175.0414 16 E 4.2798 7.8332 123.3966 53.3339 28.2334 177.1504 17 S 4.4955 7.2489 113.2219 56.7928 66.9906 171.7440 18 P 4.0703 0.0000 0.0000 64.4013 29.7058 177.6713 19 D 4.5890 8.9338 113.6673 53.4981 43.4746 175.6970 20 C 4.4677 9.0070 119.0742 62.5192 39.6124 176.7514 21 S 3.3282 7.9418 113.7258 64.6823 60.7881 174.2500 22 R 3.5159 8.5670 117.8507 57.8023 27.4963 179.9270 23 I 4.0043 7.9390 122.8044 60.9255 35.8239 174.4272 24 Y 3.9123 8.2907 125.3463 57.7146 39.4134 175.0443 25 D 4.8408 8.7761 124.4051 52.9467 43.8511 172.7785 26 P 4.8727 0.0000 0.0000 62.7687 33.2377 175.7920 27 V 5.1443 8.8283 113.0284 60.4302 37.0258 172.5146 28 C 5.0302 8.9675 122.9246 55.0584 45.6415 173.7304 29 G 4.6932 9.4006 114.0587 45.2228 0.0000 174.4644 30 T 4.1505 8.5399 111.2705 64.2575 68.7772 175.5862 31 D 4.3639 8.3563 121.6307 54.7017 39.8504 177.7982 32 G 4.0144 8.4987 107.9773 45.1876 0.0000 173.1440 33 V 4.2202 8.4946 119.7504 61.1150 33.0436 175.3741 34 T 4.5516 8.1088 122.0270 63.5773 69.2318 173.7020 35 Y 4.5447 8.6886 122.7071 56.1891 40.6828 176.8580 36 E 3.8868 8.5936 122.0869 58.1713 30.3130 176.5868 37 S 5.0492 7.5930 113.7237 56.1510 66.2776 173.8002 38 E 3.8662 8.9735 129.4925 59.8303 29.3106 179.1617 39 C 4.0903 8.2538 117.5856 60.0910 41.5985 175.5499 40 K 3.8938 8.0308 119.0950 59.3081 31.6577 178.7416 41 L 3.3677 8.2604 120.8786 58.3057 41.9810 178.3118 42 C 4.1160 8.2788 116.4289 60.0196 38.1166 175.9591 43 L 3.8918 8.3808 120.4546 57.9952 41.1956 179.5465 44 A 4.1638 8.3370 120.7131 55.1990 18.3116 179.4664 45 R 3.7513 8.1863 117.5660 59.6626 29.5524 178.8714 46 I 3.6978 8.2420 119.9706 64.2121 36.9464 178.2245 47 E 3.9693 8.2569 117.4121 59.8108 29.5351 178.7231 48 N 4.4762 8.3296 116.5893 52.6828 39.9367 174.3060 49 K 3.8123 7.4013 119.3859 56.7129 29.0490 174.2233 50 Q 4.6366 8.6543 119.2473 54.0820 33.3050 175.5132 51 D 4.8296 8.1563 117.8661 53.4497 40.5678 176.6306 52 I 3.8796 7.2497 120.2847 61.5058 38.5280 175.7574 53 Q 4.6562 8.7683 124.6072 54.0259 33.2245 174.2742 54 I 4.3506 8.3282 124.4355 61.2033 37.4627 177.1890 55 V 3.7633 8.8932 129.1705 65.5390 31.9519 176.0427 56 K 4.6976 7.7012 117.1153 55.4876 35.8714 174.8834 57 D 4.5733 8.6660 121.2618 55.4371 41.3761 177.7941 58 G 3.9483 8.9445 112.2201 44.4403 0.0000 172.8224 59 E 4.1964 8.3738 117.7295 56.0226 30.0603 178.2478 60 C 4.5074 8.2174 117.3218 57.5523 41.1605 173.9948 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 E 8.43 4.39 0.00 2.11 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 0.00 2.26 2.33 0.00 2 K 9.28 3.44 0.00 2.15 1.51 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.52 7.81 3 Q 9.91 3.18 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 7.06 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 4 V 8.37 3.47 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 0.43 0.00 0.00 0.76 0.00 0.00 5 F 7.44 4.46 0.00 3.16 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 6 S 7.45 4.95 0.00 3.94 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 7 R 8.50 4.62 0.00 1.76 1.86 0.00 3.38 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 8 M 8.62 4.61 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 9 P 0.00 4.53 0.00 2.15 1.97 0.00 3.77 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 1.92 1.89 0.00 10 I 8.73 3.84 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 1.39 0.79 0.89 0.00 0.00 11 C 8.23 4.82 0.00 2.88 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.76 4.47 0.00 2.01 1.91 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 2.10 2.21 0.00 13 H 8.55 4.60 0.00 3.07 3.25 0.00 5.94 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 M 8.35 4.19 0.00 2.01 1.93 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 2.58 2.59 0.00 15 T 8.53 3.94 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 1.22 0.00 0.00 16 E 7.83 4.28 0.00 1.95 1.92 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 2.28 2.29 0.00 17 S 7.25 4.50 0.00 3.91 3.74 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 0.00 0.00 0.00 18 P 0.00 4.07 0.00 2.22 1.95 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 19 D 8.93 4.59 0.00 2.66 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 20 C 9.01 4.47 0.00 3.04 3.04 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 0.00 0.00 0.00 0.00 21 S 7.94 3.33 0.00 3.88 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 22 R 8.57 3.52 0.00 1.93 2.31 0.00 3.25 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 23 I 7.94 4.00 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.63 0.93 0.00 0.00 24 Y 8.29 3.91 0.00 3.04 2.88 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 25 D 8.78 4.84 0.00 2.82 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.87 0.00 2.18 2.16 0.00 3.84 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 27 V 8.83 5.14 2.12 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 1.07 0.00 0.00 0.98 0.00 0.00 28 C 8.97 5.03 0.00 3.04 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.40 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.54 4.15 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 1.27 0.00 0.00 31 D 8.36 4.36 0.00 2.92 3.03 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 G 8.50 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 33 V 8.49 4.22 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 0.75 0.00 0.00 0.94 0.00 0.00 34 T 8.11 4.55 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 35 Y 8.69 4.54 0.00 3.02 2.82 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 36 E 8.59 3.89 0.00 1.82 1.44 0.00 0.00 0.00 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 2.17 0.00 37 S 7.59 5.05 0.00 3.76 3.59 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 38 E 8.97 3.87 0.00 2.06 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 2.36 2.35 0.00 39 C 8.25 4.09 0.00 3.01 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 3.89 0.00 1.99 1.92 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.51 7.81 41 L 8.26 3.37 0.00 1.52 1.68 0.75 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 42 C 8.28 4.12 0.00 3.14 3.09 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 0.00 43 L 8.38 3.89 0.00 1.81 1.74 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.34 4.16 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 3.75 0.00 1.85 2.06 0.00 2.99 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 46 I 8.24 3.70 1.99 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 1.56 1.02 0.90 0.00 0.00 47 E 8.26 3.97 0.00 2.09 2.09 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 2.45 2.36 0.00 48 N 8.33 4.48 0.00 2.80 2.93 0.00 0.00 7.44 8.35 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 49 K 7.40 3.81 0.00 1.93 1.86 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.43 7.81 50 Q 8.65 4.64 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.40 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 51 D 8.16 4.83 0.00 2.57 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.25 3.88 1.70 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.58 0.78 0.00 0.00 53 Q 8.77 4.66 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 54 I 8.33 4.35 2.02 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 1.10 0.37 0.96 0.00 0.00 55 V 8.89 3.76 2.23 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 0.74 0.00 0.00 0.98 0.00 0.00 56 K 7.70 4.70 0.00 1.82 1.87 0.00 1.60 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.44 7.81 57 D 8.67 4.57 0.00 2.69 2.67 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 0.00 0.00 0.00 0.00 58 G 8.94 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 0.00 0.00 0.00 59 E 8.37 4.20 0.00 1.99 1.92 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 2.34 2.38 0.00 60 C 8.22 4.51 0.00 2.93 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