NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5554 8.3044 120.3494 54.8428 35.8983 175.5359 2 K 4.4311 8.2565 113.9031 54.8848 31.8423 176.4816 3 S 4.4624 9.2374 107.4799 57.9614 65.4957 174.1680 4 T 4.1351 8.6520 114.4127 61.8764 69.6032 175.0967 5 G 3.8237 8.0523 108.4424 46.6619 0.0000 173.0079 6 I 4.4155 7.8233 119.5972 59.1188 39.2344 176.0312 7 V 4.2861 8.1898 118.5846 60.2600 32.9980 175.6064 8 R 4.7335 7.9813 120.3846 54.2618 34.1553 175.2988 9 K 4.2286 8.3387 119.3403 56.4972 32.7532 177.6060 10 V 4.0733 8.2725 120.7504 62.4930 32.0948 176.3885 11 D 4.6020 7.9928 116.2924 54.5239 39.6795 173.2603 12 E 4.5252 8.7359 110.4629 57.7521 31.5274 177.3504 13 L 4.0511 8.2810 117.4102 55.3500 41.8206 177.7300 14 G 4.0245 7.6330 107.2807 44.8878 0.0000 173.4063 15 R 4.4340 7.5986 116.6632 54.0264 30.5445 176.1924 16 V 4.0475 8.1838 123.3591 60.8049 32.3549 177.2394 17 V 3.8111 7.7298 125.1125 61.8960 29.4576 173.4424 18 I 3.8261 7.7997 123.6989 59.3163 38.7618 174.5141 19 P 4.3501 0.0000 0.0000 62.8711 33.0455 177.3309 20 I 3.7662 8.4385 115.0844 64.1246 37.0569 178.5126 21 E 3.9390 8.0099 119.2741 59.3191 29.6469 178.7303 22 L 4.2496 8.0705 120.0572 57.2371 41.9868 179.4874 23 R 4.0291 7.8987 114.8155 58.4642 29.1989 178.3974 24 R 4.0643 7.8777 119.0525 59.0137 29.9390 178.0455 25 T 4.0521 8.1322 116.4323 66.3600 68.3064 176.2497 26 L 4.3653 7.9103 118.2885 55.0007 42.1585 177.9068 27 G 4.0044 7.9196 106.6541 45.1499 0.0000 174.9290 28 I 4.2855 7.2402 114.9758 60.6242 40.5000 173.2126 29 A 4.7469 9.5346 128.4929 52.4843 23.7571 176.2043 30 E 4.8349 9.2965 117.8572 57.7182 36.3027 177.6534 31 K 3.9525 8.0015 116.5088 57.2137 32.4022 176.6037 32 D 4.6564 7.4568 118.6053 52.7364 40.6028 175.0745 33 A 4.8339 8.3346 120.1381 50.0168 22.2596 174.9708 34 L 4.8732 8.3847 120.3836 52.8690 44.7321 176.1393 35 E 4.1676 9.5611 126.4487 55.2493 29.9400 174.6463 36 I 4.6107 7.8126 127.6995 60.5808 38.6842 174.7949 37 Y 5.0140 9.0243 123.5520 56.4110 42.3629 174.2858 38 V 4.8673 8.3511 118.4234 62.3649 34.8436 174.3289 39 D 4.6967 9.4610 128.4751 53.2670 40.5518 177.2689 40 D 4.5700 8.7654 122.1516 54.5290 39.7912 173.9838 41 E 5.1237 7.7702 120.6767 55.7512 32.7419 176.2428 42 K 4.7705 7.0864 118.2730 55.2013 36.5636 175.1223 43 I 4.6906 8.3224 121.7921 60.5584 38.8442 175.6620 44 I 4.4542 9.2565 127.0826 59.6325 40.0615 174.8011 45 L 4.6243 8.6022 128.3095 53.4931 42.3021 176.1753 46 K 4.7468 8.6964 126.6379 53.7544 34.6339 175.3561 47 K 4.1401 8.9954 126.2147 57.6201 32.7190 175.8672 48 Y 4.3121 8.9672 124.8441 57.4116 39.8609 175.7137 49 K 3.8207 7.8544 126.9839 55.9379 32.3494 174.8566 50 P 4.3389 0.0000 0.0000 63.1152 31.2290 176.9589 51 N 4.5124 7.5019 119.9722 53.4995 36.7844 172.4513 52 M 4.6640 8.0090 117.9135 53.3580 33.4740 176.0498 53 T 4.1812 8.4871 113.1067 61.5634 69.0634 173.8211 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 4.56 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 K 8.26 4.43 0.00 1.77 1.27 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.49 7.81 3 S 9.24 4.46 0.00 4.02 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 4 T 8.65 4.14 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 5 G 8.05 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.82 4.42 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 1.42 0.57 0.91 0.00 0.00 7 V 8.19 4.29 2.08 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 0.81 0.00 0.00 0.93 0.00 0.00 8 R 7.98 4.73 0.00 1.73 1.76 0.00 3.44 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 9 K 8.34 4.23 0.00 1.78 1.71 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.36 7.81 10 V 8.27 4.07 2.08 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 0.92 0.00 0.00 0.93 0.00 0.00 11 D 7.99 4.60 0.00 3.06 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 12 E 8.74 4.53 0.00 2.06 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 0.00 2.15 2.22 0.00 13 L 8.28 4.05 0.00 1.65 1.75 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.63 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 0.00 0.00 0.00 15 R 7.60 4.43 0.00 1.91 1.94 0.00 3.02 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 16 V 8.18 4.05 2.08 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 0.79 0.00 0.00 0.95 0.00 0.00 17 V 7.73 3.81 2.08 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 0.82 0.00 0.00 0.93 0.00 0.00 18 I 7.80 3.83 1.87 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 1.42 0.93 0.96 0.00 0.00 19 P 0.00 4.35 0.00 2.20 1.97 0.00 3.66 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 2.12 2.16 0.00 20 I 8.44 3.77 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 1.64 0.55 0.91 0.00 0.00 21 E 8.01 3.94 0.00 1.96 2.05 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 2.32 2.40 0.00 22 L 8.07 4.25 0.00 1.86 1.72 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.90 4.03 0.00 2.11 2.19 0.00 2.95 0.00 0.00 3.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 24 R 7.88 4.06 0.00 1.90 2.18 0.00 3.49 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 25 T 8.13 4.05 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 1.26 0.00 0.00 26 L 7.91 4.37 0.00 1.62 1.73 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.92 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 0.00 0.00 0.00 28 I 7.24 4.29 2.25 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 1.45 0.65 0.94 0.00 0.00 29 A 9.53 4.75 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 30 E 9.30 4.83 0.00 2.11 2.13 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 2.27 2.33 0.00 31 K 8.00 3.95 0.00 1.77 1.90 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.37 7.81 32 D 7.46 4.66 0.00 2.77 2.74 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 33 A 8.33 4.83 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.38 4.87 0.00 1.48 1.55 0.92 0.93 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 35 E 9.56 4.17 0.00 2.10 1.85 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 1.79 2.21 0.00 36 I 7.81 4.61 1.76 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 1.30 0.48 0.92 0.00 0.00 37 Y 9.02 5.01 0.00 2.81 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.35 4.87 2.13 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 0.85 0.00 0.00 0.99 0.00 0.00 39 D 9.46 4.70 0.00 2.68 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 40 D 8.77 4.57 0.00 2.82 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 41 E 7.77 5.12 0.00 2.02 2.01 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 2.16 2.10 0.00 42 K 7.09 4.77 0.00 1.80 1.89 0.00 1.50 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.47 7.81 43 I 8.32 4.69 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 0.59 0.92 0.00 0.00 44 I 9.26 4.45 2.17 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.33 0.98 0.00 0.00 45 L 8.60 4.62 0.00 1.52 1.64 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.70 4.75 0.00 2.08 2.06 0.00 1.88 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.44 7.81 47 K 9.00 4.14 0.00 1.83 1.87 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.49 7.81 48 Y 8.97 4.31 0.00 2.88 3.01 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 49 K 7.85 3.82 0.00 1.65 1.20 0.00 1.57 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.38 7.81 50 P 0.00 4.34 0.00 2.20 2.10 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 51 N 7.50 4.51 0.00 2.66 2.70 0.00 0.00 6.77 7.67 0.00 0.00 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 M 8.01 4.66 0.00 2.15 2.04 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 2.48 2.72 0.00 53 T 8.49 4.18 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