NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4664 8.3344 115.4118 58.3248 64.4077 172.1288 2 S 4.3645 8.0270 113.4804 56.1684 65.1626 171.5030 3 C 4.3409 9.3572 125.9058 58.2899 29.0460 171.9864 4 P 4.3081 0.0000 0.0000 63.2152 31.3174 174.7810 5 G 3.8045 8.5256 110.9506 44.5351 0.0000 173.0283 6 K 3.4060 8.0737 120.7136 56.1650 31.2267 177.4943 7 S 4.0981 8.0907 121.8828 60.0971 63.3500 174.6986 8 S 4.3688 6.8382 111.8246 56.2131 64.1662 173.8919 9 W 4.4823 8.8581 125.6926 54.7612 31.4404 177.4551 10 P 4.7282 0.0000 0.0000 62.9653 30.1845 179.4118 11 H 5.0070 8.4273 108.5185 54.9297 28.9534 173.3859 12 L 4.4073 7.7013 120.0441 55.4909 42.1763 177.4529 13 V 3.7323 7.5010 119.1382 64.4947 31.6779 176.5733 14 G 3.9769 8.8735 114.4965 45.7663 0.0000 173.2038 15 V 3.8677 7.7755 119.9568 62.8249 31.8390 172.4124 16 G 3.9119 8.2725 115.6985 44.7402 0.0000 175.0289 17 G 3.4751 8.6642 111.0533 48.0016 0.0000 175.6680 18 S 4.0901 8.0349 116.6516 61.2749 63.0802 176.5285 19 V 3.6554 7.8569 119.6865 66.2824 31.1264 177.4919 20 A 3.8495 7.9153 120.0980 55.2488 18.1509 179.4699 21 K 3.7513 8.3445 118.0402 59.4236 32.0673 178.9713 22 A 3.9763 8.0546 121.3843 55.1020 18.2363 179.7272 23 I 3.6965 7.5418 117.8752 64.4890 37.2302 178.6706 24 I 3.3132 7.8003 121.0373 64.3543 36.7588 178.4680 25 E 4.1201 8.4122 119.7140 59.1951 28.9787 179.6116 26 R 4.0185 8.0578 118.1427 58.9705 30.2648 178.3774 27 Q 4.3315 8.4416 119.0034 57.6042 30.7092 175.6018 28 N 5.0085 8.5902 119.0748 50.6587 38.5835 172.6365 29 P 4.7736 0.0000 0.0000 63.1774 31.7988 176.6415 30 N 5.0150 7.9880 115.2499 52.7251 38.8895 174.7579 31 V 4.4705 7.8922 110.7602 59.5718 35.4926 174.9146 32 K 5.1741 8.7357 122.9471 54.0392 34.3349 174.5829 33 A 4.7948 8.0765 122.8935 50.0721 22.0803 175.5376 34 V 4.3857 7.9769 118.0300 61.0057 34.3292 175.1236 35 I 4.2545 8.2754 127.9599 60.3462 38.1544 175.0665 36 L 4.5750 7.8877 123.1143 54.4593 43.0349 175.6914 37 E 4.2719 8.3918 119.8083 55.7888 31.2764 175.6254 38 E 4.4763 8.2647 120.0429 55.4908 31.2110 175.6952 39 G 4.2035 7.9602 118.9291 46.9041 0.0000 174.1464 40 T 4.1177 7.7449 116.8798 61.3973 69.2853 172.8007 41 P 4.1684 0.0000 0.0000 63.3382 31.0524 176.2572 42 V 4.1449 7.9163 122.7406 60.5708 33.3743 174.4475 43 T 3.7967 8.4674 118.0695 61.9867 66.7963 173.7863 44 K 4.1622 8.5751 127.0332 56.7736 32.0208 177.2416 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 S 8.33 4.47 0.00 3.99 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.03 4.36 0.00 3.85 3.68 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 0.00 0.00 0.00 0.00 3 C 9.36 4.34 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 4 P 0.00 4.31 0.00 2.03 2.03 0.00 3.81 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 5 G 8.53 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 6 K 8.07 3.41 0.00 1.22 0.74 0.00 1.42 0.00 0.00 1.22 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.30 0.88 7.81 7 S 8.09 4.10 0.00 3.94 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 8 S 6.84 4.37 0.00 3.88 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 9 W 8.86 4.48 0.00 3.51 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 10 P 0.00 4.73 0.00 1.95 1.24 0.00 4.15 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 11 H 8.43 5.01 0.00 3.29 3.46 0.00 5.45 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.70 4.41 0.00 1.76 1.68 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.50 3.73 2.10 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 0.69 0.00 0.00 0.96 0.00 0.00 14 G 8.87 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.78 3.87 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.97 0.00 0.00 16 G 8.27 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 17 G 8.66 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.03 4.09 0.00 3.83 3.94 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 19 V 7.86 3.66 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.93 0.00 0.00 20 A 7.92 3.85 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 21 K 8.34 3.75 0.00 1.73 1.97 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.39 7.81 22 A 8.05 3.98 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 23 I 7.54 3.70 1.86 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 1.64 0.84 1.03 0.00 0.00 24 I 7.80 3.31 1.58 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.12 0.49 0.00 0.00 25 E 8.41 4.12 0.00 2.08 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 2.26 2.46 0.00 26 R 8.06 4.02 0.00 1.98 2.03 0.00 3.18 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 27 Q 8.44 4.33 0.00 2.43 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.13 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 28 N 8.59 5.01 0.00 2.96 2.82 0.00 0.00 7.35 7.41 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 29 P 0.00 4.77 0.00 2.10 2.11 0.00 3.78 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 30 N 7.99 5.02 0.00 2.81 2.81 0.00 0.00 6.69 7.56 0.00 0.00 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 V 7.89 4.47 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.08 0.00 0.00 32 K 8.74 5.17 0.00 1.69 1.69 0.00 1.53 0.00 0.00 2.36 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.35 7.81 33 A 8.08 4.79 1.11 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 0.00 0.00 34 V 7.98 4.39 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 0.82 0.00 0.00 0.92 0.00 0.00 35 I 8.28 4.25 1.85 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 1.43 0.65 0.89 0.00 0.00 36 L 7.89 4.58 0.00 1.67 1.57 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.39 4.27 0.00 1.98 1.96 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 2.30 2.28 0.00 38 E 8.26 4.48 0.00 1.91 1.84 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 2.23 2.29 0.00 39 G 7.96 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 40 T 7.74 4.12 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 41 P 0.00 4.17 0.00 2.04 2.04 0.00 3.66 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 2.03 2.08 0.00 42 V 7.92 4.14 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 0.87 0.00 0.00 1.01 0.00 0.00 43 T 8.47 3.80 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 44 K 8.58 4.16 0.00 1.79 1.72 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.62 7.81