NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4366 8.3049 120.3442 55.3757 33.7020 175.2067 2 D 4.6682 8.1624 124.4455 49.9658 45.6164 175.4535 3 S 4.1885 8.5621 119.7352 61.4490 63.6222 176.1537 4 N 4.4331 8.0097 121.4918 55.3659 37.1819 177.3588 5 T 3.9456 7.8175 117.8468 66.6354 68.6332 176.5487 6 M 4.1632 7.9554 120.7848 58.5040 31.6412 179.0635 7 S 4.6525 8.3513 115.9534 60.9696 63.1456 176.7043 8 S 4.1914 8.2380 119.0936 61.2376 62.5406 176.3196 9 F 4.2210 8.4042 123.5364 61.3009 39.0307 177.2607 10 Q 3.9677 8.2923 117.6883 59.1518 28.5733 179.3145 11 V 3.7614 7.8253 113.4047 64.4973 31.5040 178.3660 12 D 4.4809 8.1736 118.7040 57.4700 40.6030 178.6804 13 C 4.0302 7.9663 117.2272 62.8367 28.1539 176.0150 14 F 4.3103 8.1886 122.0309 61.2872 38.9956 177.2582 15 L 3.8568 8.6354 119.0937 57.2984 41.3266 179.2298 16 W 3.9004 8.5365 128.8481 60.6126 30.6784 177.5319 17 H 4.0901 8.2760 118.2504 59.1501 29.2118 177.3346 18 I 3.4290 7.3561 121.5593 64.4190 36.8432 178.6294 19 R 4.0178 7.6967 118.8321 59.0292 29.7027 179.0789 20 K 3.5351 7.4890 119.4840 59.3699 32.0875 179.1953 21 R 3.8102 7.6458 118.2433 59.0176 29.8332 178.6996 22 F 3.9917 8.4089 120.4396 61.2391 39.3613 177.0727 23 A 3.9108 8.4090 120.5215 55.2971 17.9942 179.2380 24 D 4.3045 8.0460 116.5285 57.5578 41.0038 178.2413 25 N 4.5301 7.8397 114.1652 53.5118 38.5381 175.8521 26 G 3.7281 7.6418 108.6166 46.0705 0.0000 174.4536 27 L 3.9862 6.8067 118.3583 54.1715 42.1046 177.1935 28 G 3.7954 7.2081 108.2299 44.5531 0.0000 173.8568 29 D 4.7635 8.3761 122.4337 51.4147 42.7563 177.3828 30 A 4.0444 8.5039 120.9170 55.2648 18.1750 178.0773 31 P 4.2480 0.0000 0.0000 65.5499 31.4324 178.5368 32 F 4.0544 8.8558 119.6809 61.4482 39.3221 177.2784 33 L 4.1179 8.3216 118.5443 57.6277 41.3056 179.0396 34 D 4.3260 8.3140 118.2225 57.4702 41.1286 178.5172 35 R 3.8728 8.0790 118.6216 58.9733 29.9580 178.7849 36 L 3.8924 7.7992 120.2322 58.0210 42.0527 178.9617 37 R 3.9305 8.0483 118.5675 59.5479 30.1557 178.1443 38 R 3.9011 8.1388 118.5044 59.9548 29.9327 178.1954 39 D 4.4177 8.5374 118.5745 56.9937 40.8033 178.5283 40 Q 3.1161 8.2068 120.3173 58.8398 29.0879 178.5183 41 K 3.8822 7.7446 118.9566 59.5176 32.0540 179.2267 42 S 4.0888 7.9118 113.2033 61.5082 62.2305 176.2624 43 L 4.1543 8.1222 121.8604 57.5181 41.2704 179.5664 44 K 4.0069 8.0821 118.6855 59.4234 32.0623 179.4546 45 G 3.6138 8.0519 105.7525 48.0130 0.0000 175.8991 46 R 3.9685 8.4427 121.3989 58.6497 30.0433 179.4258 47 G 3.1608 8.3706 105.9048 47.5118 0.0000 175.1476 48 N 4.2145 7.9940 119.7442 56.7623 38.7920 176.8749 49 T 3.8001 7.5109 115.4743 66.6586 68.6716 176.0331 50 L 4.1829 7.6444 118.5053 54.5752 41.9053 177.3208 51 G 3.8101 7.6025 106.7315 46.4670 0.0000 173.2217 52 L 4.7279 7.5823 118.5809 52.0652 44.4860 176.6992 53 D 4.5846 8.5429 122.0516 53.8647 42.7514 177.1896 54 I 3.7706 8.5122 127.6914 64.5271 37.0900 178.2279 55 E 3.9873 8.3260 118.7896 59.9326 29.4215 179.5287 56 T 3.9045 8.0541 114.8318 66.5809 68.5026 176.7781 57 A 4.0710 8.1082 122.7586 55.4651 18.3718 179.8125 58 T 3.9381 8.2990 114.6475 66.8213 68.1678 176.9170 59 L 3.9492 7.6447 121.0638 57.6400 41.5797 179.7899 60 V 3.6496 7.9640 118.4377 65.8913 31.4868 178.1446 61 G 3.7392 8.4537 105.9747 47.7584 0.0000 175.3892 62 K 2.0000 7.6777 121.5888 58.8881 32.0874 178.9873 63 Q 4.1091 7.5274 117.8308 58.8407 28.6050 178.7997 64 I 3.6760 7.8375 120.9193 64.4422 37.1653 178.6759 65 V 3.7252 8.1715 119.4689 66.0480 31.3940 177.7947 66 E 4.0027 8.5717 118.8091 59.1313 29.3050 179.1411 67 W 3.9950 8.3107 128.2964 60.5159 30.5810 178.0553 68 I 3.9739 7.9551 118.3818 64.6673 36.7002 178.2462 69 L 4.1464 8.1994 118.8457 57.4895 41.4518 179.2053 70 K 3.8869 7.8419 119.1182 57.7310 32.2155 176.4777 71 E 3.8216 7.7007 122.2314 56.5621 29.8240 174.0023 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 M 8.30 4.44 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 2 D 8.16 4.67 0.00 2.73 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.56 4.19 0.00 4.03 4.11 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 0.00 0.00 0.00 0.00 4 N 8.01 4.43 0.00 3.01 3.11 0.00 0.00 6.75 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 5 T 7.82 3.95 4.42 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 0.00 0.00 0.00 1.20 0.00 0.00 6 M 7.96 4.16 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.53 0.00 7 S 8.35 4.65 0.00 4.02 4.11 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 0.00 0.00 0.00 0.00 8 S 8.24 4.19 0.00 4.10 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.40 4.22 0.00 3.21 3.26 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 10 Q 8.29 3.97 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 11 V 7.83 3.76 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 0.82 0.00 0.00 1.06 0.00 0.00 12 D 8.17 4.48 0.00 2.85 2.72 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 13 C 7.97 4.03 0.00 2.92 2.87 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 14 F 8.19 4.31 0.00 3.35 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 15 L 8.64 3.86 0.00 1.69 1.67 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 16 W 8.54 3.90 0.00 3.47 3.40 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 17 H 8.28 4.09 0.00 3.47 3.37 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.36 3.43 1.77 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 -0.23 0.79 0.00 0.00 19 R 7.70 4.02 0.00 1.63 1.79 0.00 2.61 0.00 0.00 2.91 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 20 K 7.49 3.54 0.00 0.79 1.44 0.00 1.58 0.00 0.00 1.57 0.00 0.00 3.04 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.21 1.09 7.81 21 R 7.65 3.81 0.00 1.96 1.89 0.00 3.15 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 22 F 8.41 3.99 0.00 3.01 3.19 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 0.00 0.00 0.00 0.00 23 A 8.41 3.91 1.52 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 0.00 0.00 0.00 24 D 8.05 4.30 0.00 2.79 2.70 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 0.00 0.00 0.00 25 N 7.84 4.53 0.00 2.62 2.71 0.00 0.00 7.12 7.27 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 26 G 7.64 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 0.00 0.00 0.00 27 L 6.81 3.99 0.00 0.27 0.78 0.59 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.21 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 29 D 8.38 4.76 0.00 2.99 2.84 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 30 A 8.50 4.04 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.25 0.00 2.24 2.15 0.00 4.06 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 32 F 8.86 4.05 0.00 3.29 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.32 4.12 0.00 1.96 1.77 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.31 4.33 0.00 2.82 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 35 R 8.08 3.87 0.00 1.81 1.82 0.00 3.12 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 36 L 7.80 3.89 0.00 1.61 1.83 0.17 0.61 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 37 R 8.05 3.93 0.00 2.17 2.07 0.00 3.36 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 38 R 8.14 3.90 0.00 1.99 2.11 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 39 D 8.54 4.42 0.00 3.00 2.83 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 0.00 0.00 0.00 40 Q 8.21 3.12 0.00 2.32 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.16 1.82 0.00 41 K 7.74 3.88 0.00 1.98 1.82 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.58 7.81 42 S 7.91 4.09 0.00 3.98 3.99 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 43 L 8.12 4.15 0.00 1.58 1.60 0.74 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.08 4.01 0.00 1.98 1.82 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.48 7.81 45 G 8.05 3.61 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 0.00 0.00 0.00 46 R 8.44 3.97 0.00 2.18 1.95 0.00 3.19 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 47 G 8.37 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 0.00 0.00 0.00 48 N 7.99 4.21 0.00 2.91 2.94 0.00 0.00 7.26 7.30 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 49 T 7.51 3.80 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 1.15 0.00 0.00 50 L 7.64 4.18 0.00 1.24 1.52 0.52 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.60 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 52 L 7.58 4.73 0.00 1.44 1.65 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.54 4.58 0.00 2.81 2.57 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 54 I 8.51 3.77 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.71 0.83 0.00 0.00 55 E 8.33 3.99 0.00 2.18 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 0.00 2.43 2.38 0.00 56 T 8.05 3.90 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 57 A 8.11 4.07 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 3.94 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 59 L 7.64 3.95 0.00 1.84 1.69 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.96 3.65 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 1.07 0.00 0.00 0.95 0.00 0.00 61 G 8.45 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.68 2.00 0.00 1.09 1.62 0.00 1.57 0.00 0.00 1.52 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.22 0.72 7.81 63 Q 7.53 4.11 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.54 0.00 64 I 7.84 3.68 1.98 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 1.33 1.00 0.90 0.00 0.00 65 V 8.17 3.73 2.28 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 1.29 0.00 0.00 1.20 0.00 0.00 66 E 8.57 4.00 0.00 2.23 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 0.00 2.34 2.35 0.00 67 W 8.31 3.99 0.00 3.57 3.36 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 68 I 7.96 3.97 2.15 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.00 1.01 0.00 0.00 69 L 8.20 4.15 0.00 1.61 1.75 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.84 3.89 0.00 1.71 1.82 0.00 1.70 0.00 0.00 1.52 0.00 0.00 2.36 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.24 1.35 7.81 71 E 7.70 3.82 0.00 2.08 1.88 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 2.17 2.39 0.00