NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.3344 8.4444 120.2256 56.4598 30.9461 174.7031 5 I 3.9968 7.9113 120.2646 59.2658 40.8091 172.1399 6 N 4.7329 8.2564 126.2467 50.8226 39.4834 172.4988 7 P 4.1636 0.0000 0.0000 65.3752 31.5362 178.2141 8 L 4.1435 7.8130 118.1311 57.5072 41.7119 177.7825 9 H 4.6244 8.2157 114.0313 57.3678 30.1825 175.9825 10 A 3.8931 7.9645 125.3179 50.3248 17.1783 177.4263 11 Y 4.1792 7.7260 120.7789 59.1355 38.6483 178.8428 12 F 4.1365 6.3834 114.1157 58.2474 38.3681 175.5322 13 K 4.1946 6.3419 123.1131 54.7007 30.4663 174.9690 14 L 4.2804 7.8334 123.6050 52.7293 42.7270 175.5323 15 P 4.3746 0.0000 0.0000 63.1589 31.7491 175.8502 16 N 5.0684 8.6453 116.9365 52.3624 38.1229 173.9859 17 T 4.7549 7.6583 107.2934 60.1901 71.9030 173.3864 18 V 4.4774 8.1880 121.5646 60.0068 34.2144 174.9579 19 S 4.6765 8.5671 118.7708 56.5701 65.8987 173.1945 20 L 4.5874 8.4408 124.7214 53.4605 42.7692 176.3831 21 V 4.5313 7.9552 115.0676 59.9985 35.8116 174.3298 22 A 4.5040 7.6520 122.2314 51.6460 21.6806 175.6347 23 G 4.0793 8.0142 107.8307 45.7105 0.0000 172.4129 24 S 4.5838 8.6153 113.3303 57.2174 66.0652 173.0240 25 S 4.4388 7.9439 112.5923 57.9454 64.6310 174.3943 26 E 4.5546 8.5545 124.9791 55.2672 30.9142 175.1457 27 G 4.2020 7.8371 109.0840 44.7913 0.0000 173.6026 28 E 4.1735 8.7693 120.2113 58.3141 30.1304 177.7102 29 T 4.7696 7.4289 107.7588 58.2336 73.3958 172.7029 30 P 4.2522 0.0000 0.0000 65.9551 31.2959 178.7686 31 L 4.0429 7.8666 118.4262 58.2575 42.0161 178.5878 32 N 4.3958 8.3345 116.3530 56.0836 38.3343 177.3447 33 A 4.1457 8.2797 122.5122 54.9407 18.4699 179.4323 34 F 4.0298 8.4327 119.2592 61.4743 39.5040 176.7343 35 D 4.4157 8.6950 118.1977 57.4870 41.0342 178.5748 36 G 3.6741 8.6186 107.4988 47.1311 0.0000 175.5805 37 A 3.9671 8.1203 123.3533 54.7493 18.2702 179.7396 38 L 3.7352 7.6882 117.5172 57.8314 41.7166 179.6649 39 L 3.9131 7.7577 118.8494 57.9423 41.3737 179.1930 40 N 4.2922 7.9968 115.3190 56.4748 38.9421 176.2729 41 A 4.5440 7.2484 122.0787 52.4017 18.5562 178.2882 42 G 3.9032 8.4685 105.2268 45.5497 0.0000 173.5303 43 I 4.6490 7.7340 118.4780 60.2483 38.3591 176.4479 44 G 3.7927 8.3295 108.4100 46.7286 0.0000 174.5116 45 N 5.0638 7.9444 117.3351 52.9750 39.4336 174.3929 46 V 4.4872 7.5110 108.8944 59.5777 35.8058 175.1818 47 N 4.6973 8.5506 119.1445 52.0824 38.7413 175.0758 48 L 4.2434 8.4597 124.2461 53.9512 42.5231 176.7157 49 I 4.2222 8.0589 124.9977 59.1174 37.1709 175.2397 50 R 3.9837 8.4460 126.2535 56.3192 30.4757 175.9188 51 I 4.5247 8.1752 125.8458 59.7322 39.3254 175.7689 52 S 4.2543 8.3134 116.5176 58.6107 63.0354 173.8133 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 4 E 8.44 4.33 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 5 I 7.91 4.00 1.84 0.00 0.00 0.77 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 0.53 0.88 0.00 0.00 6 N 8.26 4.73 0.00 2.68 2.64 0.00 0.00 6.93 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.16 0.00 2.18 2.13 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 8 L 7.81 4.14 0.00 1.88 1.78 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 9 H 8.22 4.62 0.00 3.25 3.37 0.00 5.71 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 10 A 7.96 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 7.73 4.18 0.00 3.10 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.38 4.14 0.00 2.93 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 6.34 4.19 0.00 1.20 1.50 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.67 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.33 7.81 14 L 7.83 4.28 0.00 1.65 1.57 1.02 1.13 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 15 P 0.00 4.37 0.00 2.02 1.98 0.00 3.60 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 2.01 2.05 0.00 16 N 8.65 5.07 0.00 2.77 2.84 0.00 0.00 5.84 7.71 0.00 0.00 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 T 7.66 4.75 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 18 V 8.19 4.48 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 0.93 0.00 0.00 19 S 8.57 4.68 0.00 3.82 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 20 L 8.44 4.59 0.00 1.62 1.59 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.96 4.53 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.91 0.00 0.00 22 A 7.65 4.50 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.01 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.62 4.58 0.00 3.94 3.79 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 25 S 7.94 4.44 0.00 3.85 3.83 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 26 E 8.55 4.55 0.00 1.94 1.82 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 2.23 2.36 0.00 27 G 7.84 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.77 4.17 0.00 1.98 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 2.32 2.30 0.00 29 T 7.43 4.77 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 P 0.00 4.25 0.00 2.17 2.16 0.00 3.60 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 2.16 0.00 31 L 7.87 4.04 0.00 1.75 1.68 0.91 0.67 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 32 N 8.33 4.40 0.00 2.95 2.87 0.00 0.00 6.90 7.69 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 33 A 8.28 4.15 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 34 F 8.43 4.03 0.00 3.23 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 35 D 8.70 4.42 0.00 2.99 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 36 G 8.62 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.12 3.97 1.24 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 0.00 0.00 0.00 38 L 7.69 3.74 0.00 1.71 1.74 0.86 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.76 3.91 0.00 1.83 1.69 0.90 0.59 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 40 N 8.00 4.29 0.00 2.76 2.96 0.00 0.00 7.27 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 41 A 7.25 4.54 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.47 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 43 I 7.73 4.65 1.84 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 1.21 0.96 0.85 0.00 0.00 44 G 8.33 3.79 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 0.00 0.00 0.00 45 N 7.94 5.06 0.00 2.68 2.79 0.00 0.00 6.71 7.68 0.00 0.00 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 V 7.51 4.49 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 0.74 0.00 0.00 0.95 0.00 0.00 47 N 8.55 4.70 0.00 2.71 2.78 0.00 0.00 6.96 7.85 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 48 L 8.46 4.24 0.00 1.71 1.65 0.99 0.89 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 49 I 8.06 4.22 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 1.30 0.82 0.91 0.00 0.00 50 R 8.45 3.98 0.00 1.79 1.85 0.00 3.22 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 51 I 8.18 4.52 1.88 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 1.47 0.87 0.92 0.00 0.00 52 S 8.31 4.25 0.00 3.91 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