NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3918 8.3349 115.2914 58.3667 63.4535 175.5480 2 R 4.3901 9.0566 114.5795 55.3212 30.0286 170.6886 3 V 4.7871 7.3422 109.6027 58.9020 35.7639 176.1554 4 C 4.1417 8.5402 122.6134 61.0719 31.6962 175.3207 5 Q 3.7249 8.2802 114.7255 56.1889 25.7360 173.7016 6 V 4.1951 7.6152 117.9037 64.0609 32.8502 176.3405 7 T 4.5103 7.8017 104.3778 60.7878 73.2147 172.6996 8 G 3.5683 8.1989 109.1363 46.0225 0.0000 174.4585 9 K 4.1654 7.6778 118.0695 55.9720 33.0164 177.7885 10 R 4.2841 8.3302 123.4138 54.1246 31.3280 174.3820 11 P 5.0222 0.0000 0.0000 63.1683 31.6872 176.6996 12 V 4.2617 8.5685 118.3521 60.9973 33.6861 174.4040 13 T 5.0382 9.2744 111.1518 59.5954 72.6731 173.0496 14 G 4.2114 8.0017 109.5047 45.4956 0.0000 170.7869 15 N 5.1442 7.9732 116.5881 51.4231 40.2572 175.2452 16 N 4.1829 8.5396 120.2057 56.2426 39.2307 173.1417 17 R 3.6352 7.5517 125.9597 56.2421 28.9721 176.0815 18 S 4.6449 8.0707 118.2728 56.7431 65.3625 175.1232 19 H 4.3618 8.3679 113.3344 57.0492 27.6706 176.7566 20 A 4.5390 7.6628 119.3232 52.6996 20.1552 176.4388 21 L 3.5345 7.8707 115.6283 57.4764 38.3857 175.5714 22 N 4.8891 7.8891 116.6403 51.2065 40.1104 175.1713 23 A 4.2566 8.5715 125.8247 52.4420 19.7331 176.5021 24 T 4.0507 8.3673 110.1246 60.9583 70.7507 172.4409 25 K 4.7582 9.2355 128.3800 56.8424 32.3619 176.9643 26 R 4.3703 8.5804 114.9722 55.5294 33.7326 171.5874 27 R 4.0793 7.9960 125.5536 55.8715 29.8753 175.3013 28 F 4.4713 9.2011 122.1450 55.7732 39.7817 174.5443 29 L 4.8650 8.2014 125.8685 52.0699 43.1832 175.2179 30 P 4.5426 0.0000 0.0000 62.5094 31.9076 176.2078 31 N 4.3463 8.4815 116.1417 55.3760 38.8353 171.7097 32 L 3.9740 8.4164 125.1844 54.4888 42.1214 173.8139 33 H 4.8564 8.6512 118.9129 54.5493 33.9136 173.3210 34 S 4.8785 8.7767 118.9413 58.6654 63.1272 172.8629 35 H 4.5050 8.8298 125.4790 54.2069 32.3850 173.5053 36 R 4.4711 8.1258 125.0371 55.6019 28.6793 175.8783 37 F 4.7300 8.6461 122.2922 56.2974 41.5762 174.5839 38 W 4.8509 8.9538 131.4607 55.8827 30.7061 175.5974 39 V 3.3686 7.6053 126.4064 65.3441 31.0478 177.1495 40 E 3.9353 7.3119 118.0727 56.3782 28.5350 174.6861 41 S 4.7571 7.5412 110.5658 58.7835 64.4181 173.8674 42 E 4.5069 7.7265 117.1798 55.3465 35.4489 174.8427 43 K 2.7186 7.7329 116.6497 56.5353 28.7333 173.0182 44 R 4.0523 5.8400 114.6214 54.8290 34.0776 174.8065 45 F 5.2989 8.5362 116.8116 55.0987 40.7321 176.9660 46 V 4.3772 8.2778 121.9854 60.6833 30.6764 173.4698 47 T 4.1715 8.1832 116.8983 64.1003 69.4788 173.8419 48 L 4.8455 8.7109 126.2936 52.7297 45.5822 176.0114 49 R 4.7512 8.2020 123.1600 55.5437 30.6514 175.8699 50 V 5.4222 8.6425 118.8232 59.5894 37.1063 175.3305 51 S 4.9044 8.6376 118.6346 57.7232 65.2880 174.4646 52 A 4.6517 8.6948 121.2448 52.2475 19.1873 178.0178 53 K 4.2749 8.1198 119.5260 59.4482 32.5343 178.8611 54 G 3.6944 8.0757 105.6075 48.1615 0.0000 175.1352 55 M 4.1472 8.1066 120.2226 58.4602 32.1527 178.5320 56 R 3.9997 7.8175 117.9850 58.8730 30.1900 179.3331 57 V 3.5730 7.5015 117.8039 65.9946 31.6597 177.9100 58 I 3.5572 7.6544 119.0374 64.7610 36.6444 177.9870 59 D 4.4096 7.7211 117.9959 56.9137 40.7718 178.2393 60 K 4.1489 7.6745 119.1021 57.8653 32.3358 177.6872 61 K 4.3233 7.6798 118.4481 56.5163 34.1928 176.0807 62 G 4.1326 7.9161 107.0743 44.0780 0.0000 174.0689 63 I 3.6436 8.7016 124.2576 64.9432 37.7984 177.4696 64 D 4.7561 7.7280 119.0464 53.4931 39.3632 175.6930 65 T 4.6878 7.3570 115.7341 63.7958 76.4400 177.0046 66 V 3.5868 7.5879 119.9771 65.7351 31.3453 178.0198 67 L 4.2869 7.8540 117.0222 56.7994 41.2059 178.9616 68 A 4.0904 7.4443 121.3531 55.6109 18.4407 177.7854 69 E 4.2502 7.6299 114.5242 56.2973 32.6867 175.6845 70 L 4.1072 8.5320 125.0744 56.6604 41.8737 177.1284 71 R 3.9425 7.8884 113.7448 59.0466 29.8110 178.3889 72 A 4.1394 7.4374 119.9294 53.7256 18.3746 178.0056 73 R 4.3873 7.9173 112.5034 55.7217 31.0209 176.8067 74 G 4.0954 7.9894 104.9664 45.0332 0.0000 173.4544 75 E 4.7519 7.7223 118.2524 53.5066 32.5660 175.8327 76 K 3.8876 8.6189 122.2182 56.9563 32.6969 176.0905 77 Y 4.3398 8.6446 125.4435 57.9681 38.7044 175.2432 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 S 8.33 4.39 0.00 3.85 3.33 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 2 R 9.06 4.39 0.00 1.92 1.90 0.00 3.22 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 3 V 7.34 4.79 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 0.96 0.00 0.00 0.99 0.00 0.00 4 C 8.54 4.14 0.00 2.98 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 5 Q 8.28 3.72 0.00 2.29 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.67 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 6 V 7.62 4.20 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 0.80 0.00 0.00 0.94 0.00 0.00 7 T 7.80 4.51 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 8 G 8.20 3.57 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 0.00 0.00 0.00 9 K 7.68 4.17 0.00 1.85 1.78 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.47 7.81 10 R 8.33 4.28 0.00 1.81 1.86 0.00 3.23 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 11 P 0.00 5.02 0.00 2.10 2.14 0.00 3.38 0.00 0.00 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.87 0.00 12 V 8.57 4.26 2.13 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 0.72 0.00 0.00 0.95 0.00 0.00 13 T 9.27 5.04 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 1.24 0.00 0.00 14 G 8.00 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 0.00 0.00 0.00 0.00 15 N 7.97 5.14 0.00 2.75 2.77 0.00 0.00 6.79 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.54 4.18 0.00 2.80 2.98 0.00 0.00 7.16 7.64 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 17 R 7.55 3.64 0.00 2.06 1.97 0.00 3.36 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 18 S 8.07 4.64 0.00 4.10 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.37 4.36 0.00 3.16 3.28 0.00 5.70 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 20 A 7.66 4.54 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 21 L 7.87 3.53 0.00 1.86 1.86 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 22 N 7.89 4.89 0.00 2.69 2.75 0.00 0.00 6.87 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.57 4.26 1.23 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 0.00 0.00 0.00 24 T 8.37 4.05 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 1.19 0.00 0.00 25 K 9.24 4.76 0.00 1.67 1.75 0.00 1.91 0.00 0.00 2.58 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.26 7.81 26 R 8.58 4.37 0.00 1.67 1.87 0.00 2.87 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.83 0.00 27 R 8.00 4.08 0.00 1.92 2.03 0.00 3.16 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 28 F 9.20 4.47 0.00 3.12 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 29 L 8.20 4.86 0.00 1.63 1.58 0.89 1.10 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 30 P 0.00 4.54 0.00 2.06 2.05 0.00 3.70 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.14 0.00 31 N 8.48 4.35 0.00 2.77 2.95 0.00 0.00 6.91 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.42 3.97 0.00 1.76 1.71 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.65 4.86 0.00 3.07 3.12 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.78 4.88 0.00 3.73 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 H 8.83 4.50 0.00 3.14 2.66 0.00 5.77 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.13 4.47 0.00 1.30 1.34 0.00 2.64 0.00 0.00 2.87 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.32 0.00 37 F 8.65 4.73 0.00 3.10 3.14 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 38 W 8.95 4.85 0.00 3.40 3.10 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 39 V 7.61 3.37 1.67 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 0.75 0.00 0.00 0.86 0.00 0.00 40 E 7.31 3.94 0.00 2.30 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 2.27 2.61 0.00 41 S 7.54 4.76 0.00 4.06 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 42 E 7.73 4.51 0.00 1.74 1.83 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 2.16 2.27 0.00 43 K 7.73 2.72 0.00 1.79 1.92 0.00 1.74 0.00 0.00 1.88 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.33 7.81 44 R 5.84 4.05 0.00 1.67 1.77 0.00 2.86 0.00 0.00 3.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.46 0.00 45 F 8.54 5.30 0.00 3.06 2.94 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 0.00 0.00 0.00 46 V 8.28 4.38 2.11 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 0.53 0.00 0.00 0.84 0.00 0.00 47 T 8.18 4.17 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 1.13 0.00 0.00 48 L 8.71 4.85 0.00 1.71 1.73 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.20 4.75 0.00 1.86 1.87 0.00 3.22 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 50 V 8.64 5.42 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 0.83 0.00 0.00 1.22 0.00 0.00 51 S 8.64 4.90 0.00 3.82 4.07 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 52 A 8.69 4.65 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 53 K 8.12 4.27 0.00 1.86 1.82 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.50 7.81 54 G 8.08 3.69 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 55 M 8.11 4.15 0.00 2.18 2.32 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 3.07 0.00 56 R 7.82 4.00 0.00 2.04 1.98 0.00 3.19 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 57 V 7.50 3.57 2.20 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 1.00 0.00 0.00 0.99 0.00 0.00 58 I 7.65 3.56 1.74 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.57 0.42 0.00 0.00 59 D 7.72 4.41 0.00 2.66 2.76 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 60 K 7.67 4.15 0.00 1.83 1.97 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.48 7.81 61 K 7.68 4.32 0.00 1.87 1.75 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.40 7.81 62 G 7.92 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 63 I 8.70 3.64 1.89 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.80 1.01 0.00 0.00 64 D 7.73 4.76 0.00 2.64 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 65 T 7.36 4.69 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 1.20 0.00 0.00 66 V 7.59 3.59 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 0.97 0.00 0.00 0.86 0.00 0.00 67 L 7.85 4.29 0.00 1.75 1.93 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.44 4.09 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 69 E 7.63 4.25 0.00 2.05 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 2.34 2.46 0.00 70 L 8.53 4.11 0.00 1.94 1.88 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.89 3.94 0.00 1.99 2.22 0.00 2.70 0.00 0.00 2.56 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.61 0.00 72 A 7.44 4.14 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 73 R 7.92 4.39 0.00 1.86 1.96 0.00 3.18 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 74 G 7.99 4.10 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 0.00 75 E 7.72 4.75 0.00 1.97 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 76 K 8.62 3.89 0.00 1.73 1.75 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.48 7.81 77 Y 8.64 4.34 0.00 3.04 2.86 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 0.00 0.00 0.00