NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.2318 0.0000 0.0000 63.3820 32.2880 173.6323 17 S 3.8293 8.8567 115.9558 57.3318 63.4814 170.2068 18 R 4.4316 8.2476 125.3787 55.3949 32.8815 171.6431 19 K 4.7344 8.3031 117.7754 55.3134 33.9915 176.2102 20 A 4.0892 8.3995 120.2007 51.6910 18.9599 177.3984 21 K 4.0734 8.4501 120.8792 56.5063 31.9537 176.5349 22 V 4.7115 7.8349 125.6883 61.0484 35.9741 171.2139 23 K 4.7164 9.3725 132.0430 57.3966 38.4890 177.3748 24 A 4.5870 8.9337 113.6426 51.1289 19.5415 176.7109 25 T 3.8356 7.2282 118.3607 65.6714 69.5315 178.2023 26 L 4.2958 7.8156 126.1971 55.6573 42.9391 177.6756 27 G 3.2368 7.6414 102.7066 46.3735 0.0000 175.1557 28 E 3.5386 7.6438 120.0789 58.5795 29.9064 177.5427 29 F 4.6161 5.9394 113.2954 57.8007 39.8597 173.6510 30 D 4.5779 8.3437 114.9041 54.3483 43.5904 177.5852 31 L 4.4121 8.6903 127.2851 54.3656 41.3502 177.0470 32 R 4.8024 7.8483 118.2247 57.5299 36.9981 174.7599 33 D 4.5752 8.5221 118.0287 54.6319 41.5645 175.1435 34 Y 4.2686 8.7130 123.6012 59.4318 39.1784 176.7512 35 R 4.0895 8.3200 119.0307 58.9187 30.4752 175.9588 36 N 5.1246 7.5565 113.2292 51.9665 39.2502 174.9817 37 V 3.6183 7.6053 117.0080 63.4361 32.1547 173.2923 38 E 4.6578 7.8047 124.7458 55.6538 35.2634 176.8469 39 V 3.9992 7.7888 119.0097 65.2416 31.2414 178.3463 40 L 4.0746 7.8344 117.6343 56.5474 41.7660 177.4568 41 K 4.3076 8.2713 118.4029 58.5283 33.2474 177.3807 42 R 3.8031 7.3925 115.1876 59.8977 30.0879 177.3638 43 F 4.1671 8.1077 116.7810 58.5974 39.4064 175.8554 44 L 4.2837 7.2071 121.9017 53.8971 42.5625 176.4333 45 S 4.2747 8.2919 116.2245 58.6136 63.3350 174.5050 46 E 4.3585 8.5911 120.5080 57.0578 29.2058 175.8860 47 T 4.7125 7.3307 115.4933 61.8192 72.3186 173.7904 48 G 3.7113 8.7313 110.1813 46.4374 0.0000 174.4047 49 K 3.6511 7.9880 119.4100 56.5909 32.1893 176.3725 50 I 3.5754 8.3257 125.0467 61.2426 37.1467 175.7580 51 L 3.8193 8.6523 125.3208 54.8477 41.0047 175.1100 52 P 4.3798 0.0000 0.0000 63.6289 32.1271 176.1340 53 R 5.1240 7.5080 118.2744 58.4474 37.7400 176.7523 54 R 3.9139 8.0841 115.8776 58.4290 29.5382 177.8381 55 R 4.1103 8.7668 125.4734 58.9036 31.1469 178.8110 56 T 3.6859 7.5290 114.4520 64.9117 68.9057 175.0263 57 G 4.3134 8.0341 114.5341 45.8062 0.0000 175.0128 58 L 4.2684 7.1180 120.5554 53.8647 43.4267 178.4682 59 S 4.4353 8.3529 120.6823 58.6280 67.5499 177.8228 60 G 4.1508 8.4702 109.2207 46.0301 0.0000 175.6576 61 K 3.9160 7.8187 121.5085 59.4171 32.2770 177.7229 62 E 4.4077 8.0591 115.6746 56.4020 29.4849 176.6129 63 Q 4.4801 7.8617 121.3708 56.3478 31.2390 177.5526 64 R 3.8975 7.5269 115.5613 59.3940 30.3916 177.7892 65 I 4.0933 7.5997 116.8561 62.8260 38.2679 177.6678 66 L 3.8934 8.1265 121.6001 58.1910 41.5595 178.4085 67 A 3.9587 7.8866 120.4657 55.6104 18.2866 179.8328 68 K 4.0765 8.0799 116.2011 59.4377 31.9591 179.6786 69 T 3.9728 7.9275 115.1351 66.2872 68.6324 175.4741 70 I 4.2948 7.7775 120.7039 62.6647 38.0374 177.8543 71 K 3.9446 8.0619 120.5245 59.2659 31.8570 178.6958 72 R 3.9258 7.9258 118.0387 59.4107 29.7732 178.2935 73 A 4.1509 7.9561 119.1758 56.1582 18.4954 179.1074 74 R 4.7302 8.0931 117.1761 59.4048 29.8466 179.0603 75 I 3.7789 7.6481 121.5552 64.2548 37.6926 177.5040 76 L 4.4157 8.4192 118.7981 54.1590 41.4369 179.2428 77 G 4.0532 8.5914 108.3202 46.1517 0.0000 175.9737 78 L 4.0231 7.7589 120.8053 57.4873 42.5261 176.7908 79 L 4.9360 7.4309 116.8883 52.5506 47.1433 174.5153 80 P 5.0138 0.0000 0.0000 62.8066 29.9070 175.7328 81 F 4.8210 9.2194 113.7540 59.1070 41.0853 173.7880 82 T 4.6266 7.6046 111.0734 61.1117 70.8242 171.9661 83 E 4.7867 8.3969 122.8044 55.0444 31.2735 175.5581 84 K 4.7334 8.3280 118.9776 55.7983 35.7580 175.3213 85 L 4.5010 7.8789 120.6349 54.5510 44.2455 174.6581 86 V 4.3838 7.7051 115.1896 62.6478 34.4770 176.4509 87 R 3.8289 9.0549 122.1231 55.5311 27.8971 176.3695 88 K 4.1241 7.5959 123.9374 56.9352 33.7131 174.5721 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 16 P 0.00 4.23 0.00 2.19 2.11 0.00 3.85 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 1.88 1.96 0.00 17 S 8.86 3.83 0.00 4.10 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 18 R 8.25 4.43 0.00 1.74 1.68 0.00 3.24 0.00 0.00 3.16 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 19 K 8.30 4.73 0.00 1.71 1.61 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.38 7.81 20 A 8.40 4.09 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 21 K 8.45 4.07 0.00 1.73 1.80 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.52 7.81 22 V 7.83 4.71 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 1.13 0.00 0.00 1.02 0.00 0.00 23 K 9.37 4.72 0.00 1.72 1.29 0.00 1.66 0.00 0.00 2.38 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.25 1.32 7.81 24 A 8.93 4.59 1.22 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 0.00 0.00 25 T 7.23 3.84 4.39 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 1.27 0.00 0.00 26 L 7.82 4.30 0.00 1.90 1.82 1.02 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.64 3.24 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 0.00 28 E 7.64 3.54 0.00 1.88 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 2.27 2.26 0.00 29 F 5.94 4.62 0.00 3.03 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 30 D 8.34 4.58 0.00 2.63 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 31 L 8.69 4.41 0.00 1.70 1.68 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.85 4.80 0.00 1.76 2.18 0.00 3.35 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 33 D 8.52 4.58 0.00 2.86 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 34 Y 8.71 4.27 0.00 2.93 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 35 R 8.32 4.09 0.00 1.82 2.03 0.00 3.38 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 36 N 7.56 5.12 0.00 2.68 2.76 0.00 0.00 6.97 7.56 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 37 V 7.61 3.62 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 0.61 0.00 0.00 0.63 0.00 0.00 38 E 7.80 4.66 0.00 2.01 1.70 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 2.33 2.36 0.00 39 V 7.79 4.00 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 0.47 0.00 0.00 0.59 0.00 0.00 40 L 7.83 4.07 0.00 1.50 1.66 0.51 0.69 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 41 K 8.27 4.31 0.00 1.70 1.86 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.38 7.81 42 R 7.39 3.80 0.00 2.04 1.77 0.00 2.21 0.00 0.00 2.39 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.61 0.00 43 F 8.11 4.17 0.00 2.98 3.05 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 0.00 0.00 0.00 44 L 7.21 4.28 0.00 1.66 1.70 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.29 4.27 0.00 4.02 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.59 4.36 0.00 1.96 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 0.00 2.27 2.29 0.00 47 T 7.33 4.71 4.22 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 1.20 0.00 0.00 48 G 8.73 3.71 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 0.00 0.00 0.00 49 K 7.99 3.65 0.00 1.72 1.77 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.45 7.81 50 I 8.33 3.58 1.83 0.00 0.00 0.81 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 0.38 0.88 0.00 0.00 51 L 8.65 3.82 0.00 1.61 1.66 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.38 0.00 2.03 1.96 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 53 R 7.51 5.12 0.00 1.72 1.86 0.00 3.34 0.00 0.00 2.25 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 54 R 8.08 3.91 0.00 1.95 1.74 0.00 3.24 0.00 0.00 3.33 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 55 R 8.77 4.11 0.00 1.83 1.99 0.00 3.29 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 56 T 7.53 3.69 4.35 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 1.20 0.00 0.00 57 G 8.03 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 0.00 0.00 0.00 58 L 7.12 4.27 0.00 1.61 1.52 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.35 4.44 0.00 3.93 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 60 G 8.47 4.15 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 0.00 0.00 0.00 61 K 7.82 3.92 0.00 1.62 1.81 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.41 7.81 62 E 8.06 4.41 0.00 1.97 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 2.29 2.28 0.00 63 Q 7.86 4.48 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 64 R 7.53 3.90 0.00 1.94 2.00 0.00 3.20 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 65 I 7.60 4.09 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 1.30 0.88 0.92 0.00 0.00 66 L 8.13 3.89 0.00 1.91 1.76 0.89 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.89 3.96 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 68 K 8.08 4.08 0.00 1.86 1.88 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 69 T 7.93 3.97 4.38 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 1.35 0.00 0.00 70 I 7.78 4.29 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.88 0.90 0.00 0.00 71 K 8.06 3.94 0.00 2.07 1.84 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.51 7.81 72 R 7.93 3.93 0.00 1.95 1.95 0.00 3.13 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.07 0.00 73 A 7.96 4.15 1.45 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 0.00 0.00 0.00 74 R 8.09 4.73 0.00 2.17 2.01 0.00 3.20 0.00 0.00 3.45 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.59 0.00 75 I 7.65 3.78 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.50 0.92 0.00 0.00 76 L 8.42 4.42 0.00 1.70 1.67 0.80 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.59 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.76 4.02 0.00 1.72 1.91 1.19 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.43 4.94 0.00 1.87 1.51 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 5.01 0.00 2.26 1.26 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 81 F 9.22 4.82 0.00 2.86 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 82 T 7.60 4.63 4.17 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 0.00 0.00 1.30 0.00 0.00 83 E 8.40 4.79 0.00 2.08 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 84 K 8.33 4.73 0.00 1.67 1.67 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.45 7.81 85 L 7.88 4.50 0.00 1.52 1.52 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.71 4.38 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 0.96 0.00 0.00 0.93 0.00 0.00 87 R 9.05 3.83 0.00 2.01 2.04 0.00 3.57 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 88 K 7.60 4.12 0.00 1.88 1.73 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.36 7.81