NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3790 8.2649 122.4652 51.9060 22.0808 178.8436 2 K 4.5797 8.7608 121.8521 56.6184 35.9419 170.8788 3 T 5.4663 8.1739 114.1115 59.6876 72.0499 172.4503 4 I 3.8596 8.3578 123.4849 62.0117 38.6357 173.6546 5 K 3.7251 8.3536 131.7386 56.7534 30.2083 175.3402 6 I 4.7781 8.6186 118.5537 59.3327 37.2977 173.7963 7 T 4.5461 8.1496 119.8284 62.3184 70.7901 174.3749 8 Q 4.6145 8.5249 126.6788 55.2526 30.7178 175.5606 9 T 4.4907 8.4538 117.2147 60.8344 70.7574 173.9844 10 R 4.1903 8.1360 121.1881 57.1379 30.5620 176.8513 11 S 4.4051 9.7861 109.2494 59.3925 62.5524 166.5957 12 A 4.4343 8.1211 130.8237 52.7395 24.5115 176.9984 13 I 4.2104 7.6906 108.0932 61.0441 39.0728 175.3680 14 G 4.0413 8.8700 110.5527 45.8278 0.0000 174.0314 15 R 4.2269 7.5274 117.2438 55.7020 31.1268 176.0671 16 L 4.2711 8.1660 118.5425 53.8923 42.2630 176.6725 17 P 4.2886 0.0000 0.0000 65.9084 31.1064 179.3023 18 K 4.0895 7.9013 116.7894 59.8448 32.0761 178.4992 19 H 4.2622 7.9618 116.2945 58.9021 28.4590 177.8174 20 K 3.9701 8.1199 120.0079 60.0259 32.4914 178.4668 21 A 4.1459 7.6309 121.0909 55.3048 18.3440 179.7014 22 T 3.9160 7.9698 108.3283 64.7137 68.6431 176.4011 23 L 4.1643 7.4822 119.9622 56.5474 41.5342 178.9121 24 L 4.2703 7.8840 120.1946 57.5382 41.5638 179.1615 25 G 3.8107 7.8270 106.5137 47.4968 0.0000 173.1724 26 L 4.7793 7.3677 119.4434 52.4194 44.1985 177.6882 27 G 3.8490 8.7574 110.3445 46.8129 0.0000 173.5393 28 L 3.8421 6.9259 119.5475 55.1073 42.2333 176.6446 29 R 4.2560 8.6415 119.0338 56.3883 33.6518 175.0742 30 R 3.5199 8.3867 116.4932 57.4954 28.8069 174.1773 31 I 4.7392 7.2057 112.9424 63.0067 39.3737 178.0230 32 G 3.5269 8.0111 109.8998 48.4169 0.0000 173.2689 33 H 4.1234 7.6033 119.3419 57.3580 30.1942 173.4923 34 T 5.4971 8.0222 118.9005 60.1935 70.8654 172.8096 35 V 4.4279 7.8362 123.4656 62.1003 35.4067 172.4117 36 E 5.6872 9.3414 118.0180 53.9457 34.1977 174.9591 37 R 4.6019 8.1156 116.3628 55.4590 32.9589 173.1785 38 E 4.2762 8.1453 119.5211 57.0571 30.0352 177.8642 39 D 4.5977 8.4389 126.9516 53.8985 40.6223 175.3483 40 T 4.3283 7.3209 115.2028 60.6446 68.6281 172.9803 41 P 4.4646 0.0000 0.0000 65.9012 31.0720 178.3855 42 A 4.0520 8.0692 120.0352 54.9723 18.2544 179.3269 43 I 3.5844 7.6336 115.5730 64.0566 37.2209 178.0429 44 R 3.9381 8.6614 120.0617 59.0293 29.6798 178.2536 45 G 3.9839 7.6237 104.0591 46.8503 0.0000 175.3026 46 M 3.9892 8.4559 120.8121 58.8432 31.7971 178.5559 47 I 3.7648 8.1272 120.0399 64.3930 37.3537 178.0213 48 N 4.4123 7.6442 117.4938 56.1246 38.0590 177.3504 49 A 4.0105 7.9704 121.4703 55.0214 18.6985 179.2540 50 V 4.0043 7.2890 115.5226 63.2774 31.6906 177.5096 51 S 4.1718 7.4716 114.8910 59.8262 62.0762 174.9274 52 F 4.6914 8.0011 124.0155 60.9843 39.8010 176.6830 53 M 4.3821 7.7060 115.0160 55.8480 31.9247 174.9538 54 V 4.7091 7.5163 119.8171 61.6018 34.3587 174.2052 55 K 4.7430 8.5626 125.2118 54.4182 36.1252 176.9454 56 V 4.6568 8.1518 114.5814 60.7256 33.1671 176.4657 57 E 4.5827 7.9196 119.2623 55.2464 29.8990 174.6062 58 E 4.1443 8.4153 123.9164 57.0576 29.9504 177.2619 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 A 8.26 4.38 0.99 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 0.00 0.00 2 K 8.76 4.58 0.00 1.79 1.71 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.51 7.81 3 T 8.17 5.47 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 1.20 0.00 0.00 4 I 8.36 3.86 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.92 0.90 0.00 0.00 5 K 8.35 3.73 0.00 2.03 1.83 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.35 7.81 6 I 8.62 4.78 1.84 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 1.43 0.93 0.89 0.00 0.00 7 T 8.15 4.55 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 1.19 0.00 0.00 8 Q 8.52 4.61 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.26 0.00 9 T 8.45 4.49 4.09 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 1.11 0.00 0.00 10 R 8.14 4.19 0.00 1.75 1.90 0.00 3.21 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 11 S 9.79 4.41 0.00 3.93 3.92 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 0.00 0.00 0.00 12 A 8.12 4.43 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 13 I 7.69 4.21 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 1.36 0.95 0.91 0.00 0.00 14 G 8.87 4.04 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 0.00 0.00 0.00 15 R 7.53 4.23 0.00 1.86 2.00 0.00 3.45 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 16 L 8.17 4.27 0.00 1.51 1.50 0.75 0.96 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 17 P 0.00 4.29 0.00 2.14 2.11 0.00 3.57 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 2.11 2.19 0.00 18 K 7.90 4.09 0.00 1.79 1.85 0.00 1.51 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.57 7.81 19 H 7.96 4.26 0.00 3.37 3.31 0.00 5.63 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.12 3.97 0.00 1.92 1.99 0.00 1.59 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.68 7.81 21 A 7.63 4.15 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.97 3.92 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 1.35 0.00 0.00 23 L 7.48 4.16 0.00 1.84 1.78 0.92 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.88 4.27 0.00 1.97 1.71 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.83 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 0.00 0.00 0.00 26 L 7.37 4.78 0.00 1.66 1.52 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.76 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 0.00 0.00 0.00 28 L 6.93 3.84 0.00 1.81 1.67 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.64 4.26 0.00 1.79 1.80 0.00 3.52 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.41 0.00 30 R 8.39 3.52 0.00 1.91 1.93 0.00 3.32 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 31 I 7.21 4.74 1.86 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 1.29 2.29 0.95 0.00 0.00 32 G 8.01 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.60 4.12 0.00 3.24 3.34 0.00 5.56 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.02 5.50 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 1.26 0.00 0.00 35 V 7.84 4.43 2.04 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 0.93 0.00 0.00 0.77 0.00 0.00 36 E 9.34 5.69 0.00 1.82 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 2.19 2.14 0.00 37 R 8.12 4.60 0.00 1.90 2.11 0.00 3.29 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.31 0.00 38 E 8.15 4.28 0.00 1.93 1.90 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 2.31 2.35 0.00 39 D 8.44 4.60 0.00 2.61 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 7.32 4.33 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 1.25 0.00 0.00 41 P 0.00 4.46 0.00 2.19 2.10 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 42 A 8.07 4.05 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.63 3.58 2.06 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 1.52 2.03 1.07 0.00 0.00 44 R 8.66 3.94 0.00 2.08 2.10 0.00 3.18 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 45 G 7.62 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 0.00 0.00 0.00 46 M 8.46 3.99 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.61 0.00 47 I 8.13 3.76 1.87 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 1.51 1.21 0.91 0.00 0.00 48 N 7.64 4.41 0.00 3.06 2.88 0.00 0.00 6.93 7.79 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 49 A 7.97 4.01 1.38 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 0.00 0.00 0.00 50 V 7.29 4.00 2.06 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 0.95 0.00 0.00 0.96 0.00 0.00 51 S 7.47 4.17 0.00 3.92 4.02 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 52 F 8.00 4.69 0.00 3.03 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 53 M 7.71 4.38 0.00 1.95 2.19 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.42 0.00 54 V 7.52 4.71 2.18 0.00 0.00 0.00 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 0.88 0.00 0.00 55 K 8.56 4.74 0.00 1.68 1.62 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.50 7.81 56 V 8.15 4.66 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.92 0.00 0.00 57 E 7.92 4.58 0.00 2.02 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 2.18 2.29 0.00 58 E 8.42 4.14 0.00 2.07 1.96 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 2.26 2.35 0.00