NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4029 8.2644 123.5829 51.2597 20.3207 174.8627 3 K 4.1372 7.2872 125.0655 55.1589 36.1481 172.4530 4 H 4.4181 9.3593 116.7276 56.4963 28.5608 174.8562 5 P 4.3248 0.0000 0.0000 64.1509 32.1767 176.6526 6 V 4.4522 7.8427 118.6483 60.6358 34.4539 171.9506 7 P 4.3536 0.0000 0.0000 62.7762 31.5860 176.5211 8 K 4.1619 8.6068 123.2792 58.3311 32.6393 176.6582 9 K 4.5554 7.4749 115.8176 54.1784 35.9888 175.6911 10 K 4.0049 8.5307 123.0400 56.2949 31.8079 176.8792 11 T 3.8691 8.5449 124.0418 63.8626 68.9198 175.2145 12 S 4.3196 8.5530 121.5712 57.9053 65.1474 175.0979 13 K 3.7971 8.6956 123.1317 59.9065 31.9262 178.9907 14 A 3.9747 8.0890 120.1840 55.5939 18.1556 179.5390 15 R 3.9305 7.9746 116.7883 59.0505 29.8993 178.6451 16 R 3.8668 8.3171 118.3866 59.6208 30.4331 178.0139 17 D 4.4724 8.6596 118.8689 57.1809 40.9059 178.5119 18 A 3.9563 7.8743 120.9511 55.2313 18.1262 179.6700 19 R 3.8671 7.6322 115.8353 59.4104 30.3805 178.4494 20 R 3.8459 8.1479 117.2342 57.4782 29.9582 178.3739 21 S 3.9974 7.3275 113.7491 61.5517 62.5671 174.8817 22 H 4.7907 7.5532 116.4917 56.0260 28.4962 175.4498 23 H 4.5699 8.6444 118.2314 56.6102 29.0924 175.6158 24 A 3.8570 8.0177 121.3055 52.3789 18.3596 176.8754 25 L 4.2542 8.4528 125.2145 54.7932 43.0589 175.8640 26 T 4.6018 8.0870 114.8637 58.8047 70.6779 172.7145 27 P 4.3474 0.0000 0.0000 61.8667 31.8823 174.4305 28 P 4.3178 0.0000 0.0000 63.0649 31.7342 175.6153 29 T 4.3356 8.3087 111.3853 60.8746 69.7486 173.8075 30 L 5.1565 8.2210 124.6441 53.1321 46.1390 175.7048 31 V 4.6073 8.9978 112.4600 59.2685 36.4751 173.2613 32 P 5.0238 0.0000 0.0000 62.6984 32.1817 175.7889 33 C 4.4004 9.1170 123.4923 58.3290 32.3914 173.0692 34 P 4.3104 0.0000 0.0000 64.7032 31.2366 177.0132 35 E 4.6405 8.5705 116.5964 54.2921 30.1527 175.2316 36 C 5.3149 7.1705 118.6332 57.4601 32.0153 174.7899 37 K 3.9394 8.8281 120.0987 60.0840 32.4311 176.6346 38 A 3.6860 7.0384 119.4569 48.1262 19.9842 176.6728 39 M 4.8703 8.6143 122.3482 54.0665 32.2166 175.9028 40 K 4.4567 9.0900 124.0936 54.5463 34.8260 174.1767 41 P 4.9872 0.0000 0.0000 60.9095 32.4011 173.6783 42 P 4.0906 0.0000 0.0000 64.1622 31.6454 175.3882 43 H 4.2069 9.1406 117.0909 56.8888 25.5901 174.5538 44 T 4.7883 7.3733 106.9439 60.1413 71.8333 172.8891 45 V 4.4254 8.2623 121.8078 61.5287 33.2810 174.7542 46 C 4.7622 8.2077 125.5300 57.0150 34.7410 170.8094 47 P 4.3477 0.0000 0.0000 61.9459 32.8360 173.8813 48 E 4.6515 9.3189 130.0575 57.3421 37.4300 179.3089 49 C 4.0360 10.1241 118.1397 61.5792 28.8436 180.0713 50 G 2.9434 9.0218 104.9229 44.7984 0.0000 177.4066 51 Y 4.2938 6.9874 124.1125 57.1348 42.0366 171.2306 52 Y 4.6193 7.7182 118.9588 56.3423 39.5796 175.3101 53 A 3.7474 8.8186 126.7241 53.3243 16.3223 175.7985 54 G 3.8991 7.7176 106.3281 44.6939 0.0000 172.5264 55 R 4.3807 7.9327 119.5336 54.2347 31.6835 175.5632 56 K 4.1673 7.6506 115.7290 57.4733 36.3608 173.8676 57 V 3.8253 8.1204 112.2375 61.8583 32.0309 175.0410 58 L 4.6327 8.1259 121.9748 55.1553 44.1227 177.0023 59 E 4.3550 7.9177 124.1281 55.0565 32.5089 175.7682 60 V 3.8451 8.6111 126.5693 64.3158 32.0930 170.1032 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 2 A 8.26 4.40 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 3 K 7.29 4.14 0.00 1.74 1.60 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.58 7.81 4 H 9.36 4.42 0.00 3.16 3.05 0.00 5.80 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.32 0.00 2.17 2.07 0.00 3.83 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 2.01 1.99 0.00 6 V 7.84 4.45 2.09 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 0.79 0.00 0.00 1.05 0.00 0.00 7 P 0.00 4.35 0.00 2.22 2.05 0.00 3.82 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 8 K 8.61 4.16 0.00 1.72 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.52 7.81 9 K 7.47 4.56 0.00 1.72 1.63 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.36 7.81 10 K 8.53 4.00 0.00 1.71 1.75 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.46 7.81 11 T 8.54 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 1.21 0.00 0.00 12 S 8.55 4.32 0.00 4.04 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 13 K 8.70 3.80 0.00 1.82 1.92 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.53 7.81 14 A 8.09 3.97 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 3.93 0.00 1.91 2.04 0.00 3.10 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 16 R 8.32 3.87 0.00 1.80 2.20 0.00 3.32 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 17 D 8.66 4.47 0.00 2.67 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.87 3.96 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.63 3.87 0.00 1.80 2.24 0.00 3.29 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 20 R 8.15 3.85 0.00 2.07 2.05 0.00 3.35 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.89 0.00 21 S 7.33 4.00 0.00 3.93 4.01 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 22 H 7.55 4.79 0.00 3.13 3.31 0.00 5.69 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.64 4.57 0.00 3.18 3.32 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.02 3.86 1.27 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 0.00 0.00 25 L 8.45 4.25 0.00 1.63 1.58 0.92 0.98 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 26 T 8.09 4.60 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 1.22 0.00 0.00 27 P 0.00 4.35 0.00 2.20 2.11 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 28 P 0.00 4.32 0.00 2.20 2.10 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 29 T 8.31 4.34 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 1.22 0.00 0.00 30 L 8.22 5.16 0.00 1.49 1.63 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 31 V 9.00 4.61 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 0.68 0.00 0.00 0.97 0.00 0.00 32 P 0.00 5.02 0.00 1.92 1.96 0.00 3.65 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 33 C 9.12 4.40 0.00 2.92 2.96 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 0.00 0.00 0.00 34 P 0.00 4.31 0.00 2.07 2.06 0.00 3.60 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.05 0.00 35 E 8.57 4.64 0.00 1.93 1.94 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 2.27 2.26 0.00 36 C 7.17 5.31 0.00 3.15 3.09 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 0.00 37 K 8.83 3.94 0.00 1.88 2.00 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.45 7.81 38 A 7.04 3.69 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 39 M 8.61 4.87 0.00 1.90 2.04 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 40 K 9.09 4.46 0.00 1.63 1.69 0.00 1.57 0.00 0.00 1.75 0.00 0.00 2.68 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.39 7.81 41 P 0.00 4.99 0.00 2.09 2.00 0.00 3.64 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 42 P 0.00 4.09 0.00 2.30 2.09 0.00 4.01 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 43 H 9.14 4.21 0.00 3.39 3.55 0.00 5.66 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.37 4.79 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 1.31 0.00 0.00 45 V 8.26 4.43 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 1.08 0.00 0.00 1.05 0.00 0.00 46 C 8.21 4.76 0.00 2.94 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.35 0.00 2.22 2.12 0.00 3.87 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 48 E 9.32 4.65 0.00 1.98 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 2.16 2.21 0.00 49 C 10.12 4.04 0.00 3.06 3.18 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 0.00 0.00 0.00 0.00 50 G 9.02 2.94 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 0.00 0.00 0.00 51 Y 6.99 4.29 0.00 2.78 2.46 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 0.00 52 Y 7.72 4.62 0.00 3.20 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 53 A 8.82 3.75 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 54 G 7.72 3.90 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 0.00 0.00 0.00 55 R 7.93 4.38 0.00 1.67 1.77 0.00 3.37 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 1.52 1.63 0.00 56 K 7.65 4.17 0.00 1.95 1.87 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.17 1.25 7.81 57 V 8.12 3.83 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 0.69 0.00 0.00 0.94 0.00 0.00 58 L 8.13 4.63 0.00 1.60 1.56 0.92 0.80 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 59 E 7.92 4.36 0.00 1.94 1.46 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 2.22 2.30 0.00 60 V 8.61 3.85 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 0.68 0.00 0.00 0.93 0.00 0.00