NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3917 8.1133 117.4227 56.5944 33.5995 174.8694 2 T 5.1059 8.6639 114.8050 61.4609 71.5324 172.4592 3 C 5.3281 9.9048 125.4056 54.4941 44.6129 173.4263 4 L 4.3983 8.8123 121.5319 55.0315 42.0138 176.5110 5 I 4.3863 7.4567 122.9021 60.4580 40.0539 176.7607 6 S 3.4376 9.2435 123.5453 60.9017 62.8752 174.0575 7 P 4.2482 0.0000 0.0000 64.0751 31.6357 177.5861 8 S 4.3369 7.8269 111.3938 57.6797 63.6165 173.7134 9 S 3.8058 9.5949 114.5852 60.5963 60.1789 171.6221 10 T 4.8142 7.0982 116.5449 60.6692 71.9131 174.1976 11 P 4.5899 0.0000 0.0000 63.6109 32.3797 175.4529 12 Q 4.5312 8.4597 120.9048 55.2011 33.0773 173.1410 13 T 4.4903 8.5686 122.0009 62.1081 67.9264 174.6369 14 C 4.4760 9.6996 127.7775 56.4598 42.4416 172.2342 15 P 4.2966 0.0000 0.0000 62.7550 31.4433 175.1448 16 N 4.1315 8.4926 120.5777 55.1081 38.8519 174.3000 17 G 3.9697 9.1289 114.0204 45.1613 0.0000 172.8059 18 Q 4.6268 8.2084 118.3429 53.8601 29.1690 174.9418 19 D 4.8390 8.6476 121.7334 52.7150 40.9441 175.8467 20 I 4.6033 7.5197 120.7740 59.5696 41.0083 174.7793 21 C 6.0813 9.1018 125.9436 55.4399 43.6902 172.5855 22 F 5.4455 8.3482 114.9849 55.4836 41.8749 172.7801 23 L 4.8901 9.3391 121.6063 53.2446 44.8867 175.1722 24 K 4.9596 9.1556 127.2752 54.9464 36.0238 174.8703 25 A 5.5914 8.1413 123.4410 52.1285 22.8761 175.5080 26 Q 4.9546 8.6638 119.8398 54.8707 32.8047 175.1395 27 C 5.1608 8.7921 116.6810 55.4834 42.3667 173.0692 28 D 5.0025 8.0058 120.4104 51.4962 42.1028 175.8812 29 K 3.8191 8.7548 117.1920 60.2658 32.0819 178.2063 30 F 4.7905 7.8814 116.0482 58.2157 38.7424 177.3573 31 C 4.8308 8.6540 118.3452 57.2101 43.0868 173.7248 32 S 4.4825 7.9489 110.6445 58.2777 64.1419 174.5281 33 I 4.2848 7.8068 120.1472 61.9663 38.2467 176.2294 34 R 4.2823 8.5177 116.5615 56.9094 32.9626 173.5643 35 G 3.7691 8.2680 102.1165 42.8832 0.0000 170.6355 36 P 4.6160 0.0000 0.0000 62.4652 32.5426 176.5024 37 V 3.7862 8.5867 121.9063 63.1709 32.4834 174.6872 38 I 4.9507 8.4103 128.9456 59.5446 39.3087 174.4883 39 E 4.7454 8.7940 128.3963 54.1990 32.2619 174.5386 40 Q 4.1489 8.1892 124.2595 54.3528 31.7775 173.7710 41 G 3.8738 6.6134 110.4687 46.5088 0.0000 170.9290 42 C 5.5813 9.1171 120.5607 55.8390 39.3628 173.8068 43 V 4.4436 9.0219 114.5681 60.6839 35.7105 174.9047 44 A 4.4385 8.8600 121.3817 53.8052 20.4390 177.0762 45 T 4.6316 7.4106 103.6606 59.3135 71.3038 174.3466 46 C 4.3171 8.6764 124.3577 56.0165 44.2835 171.6613 47 P 4.5155 0.0000 0.0000 62.1849 31.6397 176.2578 48 Q 4.1618 8.4177 120.4270 55.4995 29.2337 176.3907 49 F 4.5297 8.8104 124.7951 58.5720 40.0933 174.2953 50 R 3.8662 5.9772 125.5090 54.3639 32.2026 175.4507 51 S 3.9577 8.2832 120.9007 61.6221 62.9561 177.7317 52 N 4.6575 7.5312 118.0191 52.2316 36.5973 173.9529 53 Y 5.0803 7.1246 116.2068 57.2173 40.6769 176.2762 54 R 4.3644 8.8828 125.3622 59.5100 30.4541 176.2641 55 S 4.7765 7.9405 110.8134 57.8603 66.4598 174.1562 56 L 4.5722 8.3071 120.9827 54.6832 44.3003 173.4112 57 L 4.7356 9.2041 130.1853 53.4417 44.5629 174.3219 58 C 5.6411 9.0251 123.7336 55.4421 39.4091 172.0401 59 C 5.2363 8.9397 118.6054 53.5209 45.0876 173.3568 60 T 5.0050 8.0476 110.2253 59.2359 67.1800 172.7120 61 T 4.4296 7.4487 122.8170 63.4363 72.8954 173.1288 62 D 4.5211 8.6711 123.0717 55.9328 41.5984 176.6679 63 N 4.1632 8.8940 119.8341 54.4379 36.6593 173.1955 64 C 4.4676 8.0548 115.0148 57.5412 43.0744 173.7787 65 N 4.6255 7.8703 118.7526 52.7453 34.5559 174.3139 66 H 4.4040 7.9814 120.3698 56.7537 28.3826 174.3077 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 R 8.11 4.39 0.00 1.97 2.06 0.00 2.93 0.00 0.00 3.54 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 2 T 8.66 5.11 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 1.21 0.00 0.00 3 C 9.90 5.33 0.00 2.79 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 4 L 8.81 4.40 0.00 1.69 1.53 0.89 0.92 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 5 I 7.46 4.39 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.32 0.92 0.00 0.00 6 S 9.24 3.44 0.00 4.01 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 7 P 0.00 4.25 0.00 2.05 2.10 0.00 3.63 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 8 S 7.83 4.34 0.00 3.80 3.85 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 0.00 0.00 0.00 9 S 9.59 3.81 0.00 4.04 3.86 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 10 T 7.10 4.81 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 11 P 0.00 4.59 0.00 2.03 2.32 0.00 3.52 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.06 0.00 12 Q 8.46 4.53 0.00 2.19 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.04 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 13 T 8.57 4.49 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 14 C 9.70 4.48 0.00 2.84 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 15 P 0.00 4.30 0.00 2.35 1.99 0.00 3.65 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.08 0.00 16 N 8.49 4.13 0.00 2.67 2.75 0.00 0.00 7.43 7.98 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 17 G 9.13 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 18 Q 8.21 4.63 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.66 0.00 0.00 0.00 0.00 0.00 2.31 2.18 0.00 19 D 8.65 4.84 0.00 2.77 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 20 I 7.52 4.60 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.58 0.97 0.00 0.00 21 C 9.10 6.08 0.00 3.12 2.97 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 F 8.35 5.45 0.00 3.12 2.99 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 0.00 0.00 0.00 23 L 9.34 4.89 0.00 1.62 1.52 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 24 K 9.16 4.96 0.00 1.90 1.76 0.00 1.51 0.00 0.00 0.86 0.00 0.00 2.76 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.96 0.73 7.81 25 A 8.14 5.59 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 26 Q 8.66 4.95 0.00 2.27 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 27 C 8.79 5.16 0.00 3.01 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 28 D 8.01 5.00 0.00 2.74 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.75 3.82 0.00 1.41 1.64 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.27 1.27 7.81 30 F 7.88 4.79 0.00 3.09 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 31 C 8.65 4.83 0.00 3.33 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 32 S 7.95 4.48 0.00 4.00 3.94 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 33 I 7.81 4.28 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.52 0.59 0.00 0.00 34 R 8.52 4.28 0.00 1.65 1.86 0.00 3.47 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 35 G 8.27 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 0.00 0.00 0.00 36 P 0.00 4.62 0.00 2.09 2.10 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 37 V 8.59 3.79 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 0.95 0.00 0.00 0.97 0.00 0.00 38 I 8.41 4.95 1.86 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 1.30 0.76 0.87 0.00 0.00 39 E 8.79 4.75 0.00 2.07 1.80 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 2.32 2.27 0.00 40 Q 8.19 4.15 0.00 1.86 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.31 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 41 G 6.61 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 0.00 0.00 0.00 42 C 9.12 5.58 0.00 2.93 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 43 V 9.02 4.44 1.98 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 0.47 0.00 0.00 0.96 0.00 0.00 44 A 8.86 4.44 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 45 T 7.41 4.63 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 1.20 0.00 0.00 46 C 8.68 4.32 0.00 2.97 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 47 P 0.00 4.52 0.00 2.03 1.89 0.00 3.59 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.79 0.00 48 Q 8.42 4.16 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 49 F 8.81 4.53 0.00 2.99 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 50 R 5.98 3.87 0.00 1.07 0.66 0.00 3.09 0.00 0.00 2.79 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.63 0.00 51 S 8.28 3.96 0.00 3.88 3.88 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 52 N 7.53 4.66 0.00 2.84 2.88 0.00 0.00 5.81 7.55 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 53 Y 7.12 5.08 0.00 2.70 2.90 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 54 R 8.88 4.36 0.00 1.91 2.18 0.00 3.33 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 55 S 7.94 4.78 0.00 3.94 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 56 L 8.31 4.57 0.00 1.95 1.83 1.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 57 L 9.20 4.74 0.00 1.77 1.52 0.94 0.66 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 58 C 9.03 5.64 0.00 2.90 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 59 C 8.94 5.24 0.00 2.92 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 60 T 8.05 5.01 4.26 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 1.23 0.00 0.00 61 T 7.45 4.43 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 1.21 0.00 0.00 62 D 8.67 4.52 0.00 2.65 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.89 4.16 0.00 2.65 2.86 0.00 0.00 6.98 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 C 8.05 4.47 0.00 3.10 3.21 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 65 N 7.87 4.63 0.00 2.78 2.89 0.00 0.00 5.80 7.90 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 66 H 7.98 4.40 0.00 3.22 3.19 0.00 5.56 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00