NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1383 8.2649 123.5819 52.4458 19.2279 177.7415 2 K 3.8141 8.8069 123.8722 56.6105 31.2473 172.9986 3 T 4.5791 9.0297 113.5093 64.9731 75.5078 171.0093 4 I 3.6332 7.7026 128.0139 60.1211 37.4163 172.3081 5 K 4.9192 8.2665 122.5673 54.9012 34.8350 175.7070 6 I 4.7334 8.7304 124.7396 60.8045 40.1614 174.5729 7 T 4.6847 7.7357 117.2481 63.2914 73.0425 175.0336 8 Q 4.0969 9.1790 125.5162 58.3518 29.4672 178.2964 9 T 3.4746 8.0928 102.5474 62.3627 68.5236 171.9593 10 R 4.5244 7.9477 121.1991 54.7206 34.1737 175.0063 11 S 4.1522 8.7595 118.2816 58.6760 63.2815 173.9732 12 A 4.5242 8.4288 127.4131 52.3347 20.1347 179.2033 13 I 3.8280 8.5042 121.2780 64.5108 35.9432 178.2078 14 G 3.8084 9.3222 115.8206 47.3795 0.0000 174.3070 15 R 4.2110 7.7150 119.0456 55.6328 30.8417 177.1824 16 L 4.1492 8.4221 119.5580 54.5922 43.6111 176.9838 17 P 4.2398 0.0000 0.0000 65.4807 31.3652 179.0628 18 K 3.9986 7.9276 118.3672 59.4970 32.2163 178.5735 19 H 4.3240 7.9264 116.0939 58.7864 28.8660 177.3255 20 K 3.8293 8.2742 120.3530 59.6528 31.8850 178.9095 21 A 3.9725 8.1094 120.7116 55.5634 18.4473 179.7860 22 T 3.8727 7.8323 107.8091 64.9579 68.5491 176.5407 23 L 3.9995 7.9229 121.8017 57.5336 41.5187 179.0819 24 L 4.3108 7.8254 117.6677 56.8582 41.5659 178.7159 25 G 3.9238 7.5964 103.8347 45.3834 0.0000 174.9774 26 L 4.5849 7.6263 118.5483 53.1043 42.9859 175.4464 27 G 3.7151 8.3867 111.1217 44.8829 0.0000 172.0059 28 L 4.1608 7.5065 118.8038 55.1691 40.6349 175.3541 29 R 3.9448 8.0611 125.7337 57.8951 30.4416 181.3175 30 R 4.2104 7.8844 123.9506 56.5610 31.0495 177.6319 31 I 3.8545 8.0712 109.5110 61.3131 35.2721 171.1461 32 G 3.6649 8.3175 119.9060 45.9618 0.0000 171.3290 33 H 4.2723 8.6611 124.5779 56.5374 30.2875 174.9229 34 T 4.1827 7.6400 113.5460 64.6658 66.2267 172.8547 35 V 3.7102 7.5040 120.5524 61.4444 32.5337 174.8811 36 E 4.7195 8.6291 124.6943 54.9286 29.7504 174.3977 37 R 3.9415 7.6811 129.2074 56.3301 29.7814 177.7774 38 E 4.6602 7.7508 119.6828 56.3481 33.7696 173.9610 39 D 4.8671 9.0231 114.2563 52.9375 41.1191 175.2696 40 T 4.5796 7.3382 118.1070 61.0848 70.5100 174.7354 41 P 4.3961 0.0000 0.0000 64.8001 31.3180 177.7262 42 A 4.1944 7.4320 122.4983 54.5795 18.8151 179.3645 43 I 3.7783 7.5490 108.3789 62.8433 38.3850 178.0830 44 R 3.8945 8.6080 121.7998 58.0071 30.2393 178.1274 45 G 3.7633 7.7122 104.8908 46.5760 0.0000 175.2419 46 M 4.2533 7.5101 120.9763 57.9716 31.8807 178.2389 47 I 3.6257 7.2820 119.7977 64.7196 37.1651 177.8300 48 N 4.2520 8.2998 115.5382 56.1977 36.7451 176.4915 49 A 4.1551 7.7052 122.0480 54.4778 19.2036 179.8663 50 V 3.8879 7.1845 109.8500 60.9153 32.1136 178.1217 51 S 4.1829 7.9777 117.1029 61.3737 63.4934 176.3135 52 F 4.6692 8.1207 110.8654 57.8216 37.1773 175.1337 53 M 4.8877 7.8724 121.7805 54.1816 33.3112 175.2381 54 V 5.3311 7.6383 111.5583 60.5529 34.3371 174.2450 55 K 4.4246 8.7410 127.3820 55.1352 34.0827 174.9749 56 V 4.7093 8.3346 126.5955 61.0983 33.5864 173.8900 57 E 4.5792 8.6129 129.0371 54.3825 31.7177 175.4753 58 E 4.2024 8.7191 126.4507 56.3235 29.7810 175.2589 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 4.14 1.28 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 0.00 0.00 0.00 2 K 8.81 3.81 0.00 2.17 1.88 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.52 7.81 3 T 9.03 4.58 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 1.25 0.00 0.00 4 I 7.70 3.63 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 1.42 1.87 0.95 0.00 0.00 5 K 8.27 4.92 0.00 1.67 1.67 0.00 1.63 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.43 7.81 6 I 8.73 4.73 1.85 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 1.37 1.03 0.88 0.00 0.00 7 T 7.74 4.68 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 9.18 4.10 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.12 0.00 0.00 0.00 0.00 0.00 2.60 2.24 0.00 9 T 8.09 3.47 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 10 R 7.95 4.52 0.00 1.77 1.88 0.00 3.55 0.00 0.00 3.40 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 11 S 8.76 4.15 0.00 3.98 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 8.43 4.52 1.29 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 0.00 0.00 0.00 13 I 8.50 3.83 1.89 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 0.92 0.93 0.00 0.00 14 G 9.32 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 15 R 7.71 4.21 0.00 2.08 2.03 0.00 3.34 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 1.87 1.95 0.00 16 L 8.42 4.15 0.00 1.54 1.55 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.24 0.00 2.15 2.11 0.00 3.58 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 18 K 7.93 4.00 0.00 1.79 1.71 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.52 7.81 19 H 7.93 4.32 0.00 3.42 3.31 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.27 3.83 0.00 1.96 1.90 0.00 1.86 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.72 7.81 21 A 8.11 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 3.87 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 1.35 0.00 0.00 23 L 7.92 4.00 0.00 1.90 1.73 0.86 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.83 4.31 0.00 1.77 1.74 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.60 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 0.00 0.00 0.00 26 L 7.63 4.58 0.00 1.62 1.70 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.39 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.51 4.16 0.00 1.70 1.66 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.06 3.94 0.00 1.80 1.83 0.00 3.26 0.00 0.00 3.21 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 30 R 7.88 4.21 0.00 1.80 1.94 0.00 3.22 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 31 I 8.07 3.85 1.87 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 1.35 0.52 0.91 0.00 0.00 32 G 8.32 3.66 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 0.00 0.00 0.00 33 H 8.66 4.27 0.00 3.07 3.35 0.00 6.08 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.64 4.18 4.16 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 1.23 0.00 0.00 35 V 7.50 3.71 2.15 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 0.89 0.00 0.00 0.96 0.00 0.00 36 E 8.63 4.72 0.00 1.94 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 2.24 2.28 0.00 37 R 7.68 3.94 0.00 1.76 1.69 0.00 3.49 0.00 0.00 3.15 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 38 E 7.75 4.66 0.00 1.90 1.79 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 2.11 2.15 0.00 39 D 9.02 4.87 0.00 2.56 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 7.34 4.58 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 1.23 0.00 0.00 41 P 0.00 4.40 0.00 2.17 2.11 0.00 3.59 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 2.11 2.10 0.00 42 A 7.43 4.19 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 43 I 7.55 3.78 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 1.30 0.74 0.91 0.00 0.00 44 R 8.61 3.89 0.00 1.80 2.09 0.00 3.09 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 45 G 7.71 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 0.00 0.00 0.00 46 M 7.51 4.25 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.57 0.00 47 I 7.28 3.63 2.02 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 1.77 0.94 0.89 0.00 0.00 48 N 8.30 4.25 0.00 2.88 2.99 0.00 0.00 5.98 7.26 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 49 A 7.71 4.16 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.18 3.89 1.79 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 0.59 0.00 0.00 0.87 0.00 0.00 51 S 7.98 4.18 0.00 4.01 4.27 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 52 F 8.12 4.67 0.00 3.19 3.17 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 53 M 7.87 4.89 0.00 1.80 1.70 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 2.14 0.00 54 V 7.64 5.33 2.03 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 0.74 0.00 0.00 0.97 0.00 0.00 55 K 8.74 4.42 0.00 1.78 1.64 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.36 7.81 56 V 8.33 4.71 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 0.87 0.00 0.00 0.92 0.00 0.00 57 E 8.61 4.58 0.00 2.01 1.76 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 2.20 2.22 0.00 58 E 8.72 4.20 0.00 1.93 1.79 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 2.22 2.34 0.00