NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.4581 8.1749 115.4971 62.1348 68.5349 173.9362 4 C 4.4826 8.8786 125.9300 53.6259 41.3285 171.3402 5 P 4.6860 0.0000 0.0000 61.3764 32.9160 173.7403 6 P 4.6937 0.0000 0.0000 62.2287 31.7150 174.9839 7 P 4.5076 0.0000 0.0000 62.1923 32.1488 176.7132 8 V 3.8934 8.1390 113.4029 61.3403 32.2126 176.2257 9 S 4.6222 8.3210 116.8047 57.6400 64.3554 173.5571 10 I 4.2610 7.7826 122.1780 58.8474 39.5641 174.8133 11 E 3.7797 8.5892 125.8255 58.1875 29.8491 176.0305 12 H 3.7577 9.3851 121.1337 56.0415 25.8695 173.6558 13 A 5.2924 7.4055 118.5716 51.0253 22.3842 175.9927 14 D 5.0479 8.8652 118.1455 51.8228 43.5621 174.2183 15 I 4.6827 8.2980 120.4184 60.1716 41.2903 175.5484 16 R 4.3591 8.2949 126.6943 53.7866 30.2486 173.7822 17 V 3.6466 8.0588 126.4224 62.7226 31.8250 176.8301 18 K 4.3321 8.9097 128.5932 55.2422 32.4452 172.9910 19 N 4.9347 7.7290 114.1486 53.6261 41.7245 173.4296 20 Y 4.5149 8.8060 122.1789 58.0231 39.0028 175.8600 21 S 4.5445 8.5786 117.8524 57.5870 63.6773 173.9021 22 V 3.7450 7.7948 121.8193 64.6269 31.6194 176.1856 23 N 4.5870 9.2537 123.3216 52.9145 37.5434 174.8393 24 S 4.3314 7.6951 113.9516 58.2823 63.7551 172.9304 25 R 5.1318 8.6577 125.1946 54.6635 32.2970 174.7650 26 E 4.7998 9.1193 122.8730 54.4689 33.8031 175.2626 27 R 5.6939 7.8743 118.5669 53.7591 33.7325 175.1825 28 Y 4.2941 8.7144 120.8578 58.0135 39.4755 175.4003 29 V 4.4158 8.8147 120.9701 61.0928 34.6324 174.1770 30 C 4.8279 9.0078 125.9817 57.0234 35.3006 173.6131 31 N 4.5874 9.0896 121.7386 53.1139 39.6578 174.5141 32 S 4.2586 8.6676 114.6959 60.2064 62.9003 174.8196 33 G 3.7967 9.0871 113.7420 45.2813 0.0000 172.4413 34 F 5.3798 7.7787 116.4370 55.7169 43.0077 174.5375 35 K 4.7547 9.1608 118.6908 54.5538 36.9334 175.9025 36 R 4.2593 8.6813 123.7314 56.6158 30.7498 175.9573 37 K 4.2321 9.1239 128.5240 55.8041 33.3559 176.0727 38 A 4.0975 8.7033 130.0600 54.3585 18.5968 177.5963 39 G 4.0098 9.1830 110.9896 45.0262 0.0000 173.3264 40 T 4.6145 7.5534 108.8418 59.7560 71.1459 173.5425 41 S 4.7896 8.1419 116.7254 57.0366 64.6280 173.8300 42 T 4.5754 8.3568 114.7415 61.5832 69.8737 173.3500 43 L 5.2410 7.9734 124.5842 54.2690 43.9249 175.7790 44 I 4.8559 8.4570 117.2554 59.4004 41.4490 173.2393 45 E 5.4063 9.4558 126.2881 54.4505 32.9417 173.8410 46 C 4.1403 9.1058 127.4870 56.3944 44.7179 172.4354 47 V 4.7233 8.4252 120.2273 59.4972 34.4416 175.4658 48 I 4.3130 8.1524 123.3898 59.5490 39.6782 174.8339 49 N 4.8221 8.0388 121.9536 51.3142 38.6410 174.8038 50 K 3.8132 8.9529 128.7543 60.3281 32.3223 180.0495 51 N 4.5896 8.2110 114.0181 54.3544 37.7118 177.3065 52 T 4.4549 7.1159 101.6742 60.9582 70.5623 174.4266 53 N 4.3447 8.6118 118.3613 54.1170 35.9837 173.8558 54 V 4.5218 7.6227 110.4066 59.5418 34.8690 174.8265 55 A 4.8837 8.5495 126.5845 51.0559 21.0896 175.6213 56 H 4.8668 8.5924 114.1094 53.8823 32.4615 172.7194 57 W 5.0525 8.7814 120.3079 56.3726 29.7893 176.5477 58 T 4.2345 8.6160 114.6893 62.0150 69.2233 174.1585 59 T 4.1701 8.4664 120.4219 62.6494 68.8812 173.0582 60 P 4.5283 0.0000 0.0000 62.6876 32.1769 176.2417 61 S 4.5891 8.3509 113.6199 57.6422 63.6300 173.9873 62 L 3.9381 7.6462 123.0355 55.8917 42.2899 176.2650 63 K 4.5154 8.3559 123.5028 55.1624 36.2169 175.4913 64 C 5.3108 8.8907 123.2137 55.4108 41.6265 173.2469 65 I 4.8475 8.6160 119.3348 59.1457 40.9035 175.7008 66 R 3.8635 8.5278 123.2698 56.5548 30.2420 175.8518 67 D 4.2747 8.7104 124.0610 53.4274 41.4346 175.3551 68 P 4.3171 0.0000 0.0000 65.3641 31.3801 178.4421 69 S 4.2579 8.3118 112.9670 61.7791 63.0252 175.3083 70 L 3.9494 8.4356 123.4900 55.3273 41.8357 176.3465 71 A 4.1260 6.7366 127.1407 51.2702 18.5911 176.7219 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 3 T 8.17 4.46 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 1.17 0.00 0.00 4 C 8.88 4.48 0.00 2.34 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 0.00 0.00 0.00 5 P 0.00 4.69 0.00 2.18 2.13 0.00 3.71 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 2.20 2.08 0.00 6 P 0.00 4.69 0.00 2.15 2.14 0.00 3.76 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 2.07 2.11 0.00 7 P 0.00 4.51 0.00 1.81 1.10 0.00 3.89 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.59 0.00 8 V 8.14 3.89 2.10 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 0.81 0.00 0.00 0.97 0.00 0.00 9 S 8.32 4.62 0.00 3.96 3.87 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 0.00 0.00 0.00 10 I 7.78 4.26 1.39 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.47 0.64 0.00 0.00 11 E 8.59 3.78 0.00 1.76 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 1.64 2.00 0.00 12 H 9.39 3.76 0.00 2.94 2.06 0.00 5.71 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.41 5.29 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.87 5.05 0.00 2.79 2.73 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 15 I 8.30 4.68 1.29 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.62 0.57 0.00 0.00 16 R 8.29 4.36 0.00 1.82 1.69 0.00 3.32 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.13 0.00 17 V 8.06 3.65 1.55 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 0.18 0.00 0.00 0.36 0.00 0.00 18 K 8.91 4.33 0.00 1.81 1.69 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.33 1.23 7.81 19 N 7.73 4.93 0.00 2.68 2.70 0.00 0.00 7.12 7.42 0.00 0.00 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 Y 8.81 4.51 0.00 3.06 2.96 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 21 S 8.58 4.54 0.00 3.92 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 22 V 7.79 3.74 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 0.77 0.00 0.00 0.83 0.00 0.00 23 N 9.25 4.59 0.00 2.84 3.09 0.00 0.00 6.93 8.20 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 24 S 7.70 4.33 0.00 4.14 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.66 5.13 0.00 1.72 1.85 0.00 3.22 0.00 0.00 3.24 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.83 0.00 26 E 9.12 4.80 0.00 1.35 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 2.10 0.00 27 R 7.87 5.69 0.00 1.57 1.76 0.00 3.25 0.00 0.00 3.88 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.45 0.00 28 Y 8.71 4.29 0.00 2.79 2.81 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 29 V 8.81 4.42 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 1.00 0.00 0.00 0.93 0.00 0.00 30 C 9.01 4.83 0.00 2.97 3.13 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 31 N 9.09 4.59 0.00 2.66 2.85 0.00 0.00 6.27 6.83 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 32 S 8.67 4.26 0.00 3.87 3.84 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 33 G 9.09 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.78 5.38 0.00 3.18 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 35 K 9.16 4.75 0.00 1.66 1.66 0.00 1.80 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.40 7.81 36 R 8.68 4.26 0.00 1.84 1.87 0.00 3.49 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 37 K 9.12 4.23 0.00 1.95 1.71 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.41 7.81 38 A 8.70 4.10 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.18 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 40 T 7.55 4.61 4.33 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 1.23 0.00 0.00 41 S 8.14 4.79 0.00 3.86 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.36 4.58 4.52 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 1.24 0.00 0.00 43 L 7.97 5.24 0.00 1.70 1.63 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.46 4.86 1.99 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.20 1.17 0.00 0.00 45 E 9.46 5.41 0.00 2.11 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 2.19 2.42 0.00 46 C 9.11 4.14 0.00 1.50 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.43 4.72 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 0.67 0.00 0.00 0.76 0.00 0.00 48 I 8.15 4.31 1.80 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 1.26 0.65 0.87 0.00 0.00 49 N 8.04 4.82 0.00 2.85 2.77 0.00 0.00 7.50 6.63 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 50 K 8.95 3.81 0.00 1.85 1.87 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.46 7.81 51 N 8.21 4.59 0.00 2.74 2.74 0.00 0.00 6.47 7.71 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 52 T 7.12 4.45 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 53 N 8.61 4.34 0.00 2.87 2.99 0.00 0.00 6.77 7.22 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 54 V 7.62 4.52 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 0.93 0.00 0.00 0.94 0.00 0.00 55 A 8.55 4.88 1.07 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 0.00 0.00 56 H 8.59 4.87 0.00 3.24 3.36 0.00 5.46 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 W 8.78 5.05 0.00 3.26 3.16 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 0.00 58 T 8.62 4.23 4.34 0.00 0.00 0.00 0.00 0.00 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 59 T 8.47 4.17 4.28 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 1.23 0.00 0.00 60 P 0.00 4.53 0.00 2.07 2.17 0.00 3.77 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 61 S 8.35 4.59 0.00 3.97 3.98 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 62 L 7.65 3.94 0.00 1.75 1.39 0.90 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.36 4.52 0.00 1.67 1.62 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.59 7.81 64 C 8.89 5.31 0.00 2.88 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 65 I 8.62 4.85 1.92 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 1.25 1.10 0.95 0.00 0.00 66 R 8.53 3.86 0.00 1.62 1.77 0.00 3.28 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 1.55 1.20 0.00 67 D 8.71 4.27 0.00 2.70 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.32 0.00 2.04 2.09 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.20 0.00 69 S 8.31 4.26 0.00 4.00 3.98 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 70 L 8.44 3.95 0.00 1.64 1.64 0.85 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 71 A 6.74 4.13 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