NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5242 8.3649 120.3109 52.7621 41.5172 175.1686 2 D 4.3802 8.0363 120.7859 52.6206 41.1667 174.4133 3 G 4.2509 8.3321 118.1840 45.5377 0.0000 170.2172 4 L 5.0020 7.4800 119.2673 53.1268 46.5654 175.5058 5 C 5.4210 8.6182 118.1389 55.6970 41.2198 172.2782 6 Y 5.2667 8.6020 121.1774 55.3521 41.6652 173.4892 7 E 4.9913 10.2543 117.2083 52.9316 32.8644 176.9050 8 G 4.5052 7.9423 111.3137 46.2250 0.0000 174.4006 9 T 4.5526 8.0844 120.7179 63.7810 70.0030 174.4728 10 N 4.5553 8.5831 121.2791 55.6561 38.8582 176.0030 11 C 4.9310 8.0511 114.9492 56.9374 41.1745 174.8582 12 G 3.9060 7.9363 106.3975 46.2022 0.0000 175.3709 13 K 4.1496 7.1866 119.7431 55.7359 32.1366 178.0081 14 V 3.4809 7.3100 118.2601 66.8340 31.6683 174.6816 15 G 4.0717 8.9400 116.5340 44.9348 0.0000 173.2023 16 K 4.2490 6.9544 119.6606 55.8626 33.3322 173.7176 17 Y 4.7732 8.3006 120.4604 58.1600 43.4230 173.1503 18 C 5.5225 8.4386 116.2313 55.5578 40.3991 171.1600 19 C 5.5362 8.9267 114.8158 53.9411 42.9690 173.3481 20 S 4.9288 8.3291 116.8113 57.1610 66.0492 174.1275 21 P 4.5315 0.0000 0.0000 63.5042 31.4837 176.7547 22 I 4.1135 8.0323 116.3360 61.9844 40.6779 175.2035 23 G 4.0058 8.5392 106.0222 45.9338 0.0000 174.7734 24 K 4.1398 7.5403 120.3268 58.9095 33.3796 177.9567 25 Y 4.0394 8.2258 116.0379 59.4617 38.7089 176.0910 26 C 4.3816 8.0848 115.6728 57.4620 42.9531 171.5050 27 V 4.4297 8.0937 120.3971 61.2954 33.6492 174.3307 28 C 5.5790 8.5046 124.3681 55.7673 38.0497 172.1994 29 Y 4.7538 8.4314 117.0108 57.1298 42.3351 176.1206 30 D 4.3562 8.9569 119.4548 56.2256 40.1485 177.0792 31 S 4.4682 7.9837 118.2992 57.1040 63.0616 174.7599 32 K 3.6569 8.8785 126.4761 60.1164 31.7173 178.5943 33 A 3.8690 7.8276 121.0145 55.1922 18.4359 179.4732 34 I 3.6903 7.9124 118.3735 64.7314 36.7654 177.1071 35 C 4.2112 7.8275 119.1065 59.4143 43.4519 174.8024 36 N 4.3831 7.8353 118.2609 57.1021 38.8879 176.5517 37 K 3.8256 8.6531 121.7314 59.1515 31.7600 178.1060 38 N 4.2130 7.7033 120.4470 56.4016 39.0471 177.4266 39 C 4.3439 7.5229 117.4409 60.0016 40.3018 174.0193 40 T 4.0059 7.5014 113.8805 61.7648 68.5294 174.2103 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 D 8.36 4.52 0.00 2.78 2.85 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 0.00 0.00 0.00 2 D 8.04 4.38 0.00 2.76 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.33 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 0.00 0.00 0.00 0.00 4 L 7.48 5.00 0.00 1.62 1.60 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 5 C 8.62 5.42 0.00 3.09 2.85 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 0.00 0.00 0.00 6 Y 8.60 5.27 0.00 3.16 3.05 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 0.00 0.00 0.00 7 E 10.25 4.99 0.00 2.30 2.17 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 2.29 2.40 0.00 8 G 7.94 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.08 4.55 4.26 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 1.21 0.00 0.00 10 N 8.58 4.56 0.00 2.80 3.13 0.00 0.00 7.09 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 11 C 8.05 4.93 0.00 3.01 3.02 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 12 G 7.94 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.19 4.15 0.00 2.01 1.93 0.00 1.27 0.00 0.00 1.47 0.00 0.00 2.80 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.33 1.21 7.81 14 V 7.31 3.48 2.04 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 0.71 0.00 0.00 0.90 0.00 0.00 15 G 8.94 4.07 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 0.00 16 K 6.95 4.25 0.00 1.63 1.84 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.27 7.81 17 Y 8.30 4.77 0.00 2.93 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.44 5.52 0.00 2.05 2.81 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 19 C 8.93 5.54 0.00 2.99 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 20 S 8.33 4.93 0.00 4.19 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 21 P 0.00 4.53 0.00 2.27 2.25 0.00 4.11 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 2.16 2.00 0.00 22 I 8.03 4.11 1.92 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 1.24 1.08 0.99 0.00 0.00 23 G 8.54 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 0.00 0.00 0.00 24 K 7.54 4.14 0.00 1.72 1.87 0.00 1.56 0.00 0.00 1.82 0.00 0.00 2.69 0.00 0.00 2.28 0.00 0.00 0.00 0.00 1.47 0.65 7.81 25 Y 8.23 4.04 0.00 3.11 3.10 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 26 C 8.08 4.38 0.00 3.09 3.08 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 27 V 8.09 4.43 2.24 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 1.10 0.00 0.00 1.10 0.00 0.00 28 C 8.50 5.58 0.00 2.74 3.08 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 29 Y 8.43 4.75 0.00 2.91 2.88 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 0.00 0.00 0.00 30 D 8.96 4.36 0.00 2.82 2.85 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 0.00 0.00 0.00 31 S 7.98 4.47 0.00 3.96 3.85 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 0.00 0.00 0.00 32 K 8.88 3.66 0.00 1.09 0.74 0.00 1.20 0.00 0.00 1.61 0.00 0.00 2.25 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.23 1.28 7.81 33 A 7.83 3.87 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 34 I 7.91 3.69 2.02 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 1.28 0.90 0.22 0.00 0.00 35 C 7.83 4.21 0.00 2.98 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.84 4.38 0.00 2.77 2.82 0.00 0.00 6.75 7.55 0.00 0.00 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 8.65 3.83 0.00 1.68 1.51 0.00 1.51 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.55 7.81 38 N 7.70 4.21 0.00 2.08 2.37 0.00 0.00 6.61 7.55 0.00 0.00 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 C 7.52 4.34 0.00 2.99 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 40 T 7.50 4.01 4.18 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 1.15 0.00 0.00