NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4329 8.3344 116.7949 57.8492 64.7159 172.6651 3 I 4.3927 7.3979 120.0594 57.0294 40.1868 174.2314 4 S 4.1563 9.0050 122.4958 60.6937 64.2227 174.2161 5 A 3.9995 7.9414 124.0548 52.5842 18.1679 177.5383 6 R 4.0237 8.6414 122.0962 57.8753 30.7898 176.0949 7 N 4.8381 7.8409 115.6549 51.6818 40.3036 174.3899 8 Q 4.7860 8.6491 122.9975 54.1718 31.8659 174.7977 9 L 4.6589 8.9476 125.7677 52.5483 43.7942 176.4818 10 K 4.5859 8.6852 124.4019 56.6146 33.6591 176.7179 11 G 4.2414 8.9935 110.5992 45.6586 0.0000 171.4640 12 K 5.1991 8.5067 118.4591 54.5747 35.7516 175.9720 13 V 4.2054 8.7635 123.6538 63.4863 32.0143 176.4308 14 V 4.4187 8.5266 120.2891 60.2565 33.3931 175.9598 15 G 4.3249 7.7861 107.0613 44.6622 0.0000 172.1697 16 L 5.0926 8.2594 124.7801 53.5159 45.4576 174.6249 17 K 4.5467 9.2977 127.5912 54.7214 35.2502 174.8047 18 K 4.6005 8.8814 127.1466 55.3816 33.4117 177.1169 19 G 4.2819 8.7327 114.8827 44.8533 0.0000 173.0241 20 V 4.0058 8.4142 117.5194 63.8580 32.7595 177.6798 21 V 4.3394 7.7291 118.5804 63.3923 34.0677 175.0678 22 T 5.2363 7.7213 108.5766 59.8456 72.8527 172.3900 23 A 5.0416 9.1172 121.6230 50.4919 23.2319 174.6237 24 E 4.9877 9.3842 121.4487 54.4254 32.1028 174.8860 25 V 4.7863 8.8976 126.9997 61.0436 34.8721 173.9952 26 V 4.7928 8.7400 128.0648 61.1727 33.7671 174.0089 27 L 5.1917 8.9514 128.2454 52.9317 44.6687 175.0109 28 E 4.8249 9.2006 125.7530 55.3305 30.6526 175.7925 29 I 4.7708 8.9192 121.5776 58.1800 40.7608 174.9790 30 A 3.9609 8.4662 124.5311 53.7728 18.5016 178.0210 31 G 3.7937 9.0780 107.4780 45.6237 0.0000 175.0656 32 G 3.9463 7.8178 106.1813 45.0733 0.0000 174.0673 33 N 4.6715 7.7618 117.0204 53.1240 39.9465 174.0475 34 K 5.1230 8.5117 119.8949 54.7120 35.5597 175.4473 35 I 4.6114 8.8488 123.0843 59.6515 41.3281 173.8629 36 T 5.0686 8.6130 125.4884 62.0239 70.4111 173.8369 37 S 4.7745 9.2559 120.3074 56.4555 66.1485 172.5205 38 I 5.0325 8.4301 126.4372 59.6223 39.2283 174.6136 39 I 4.8720 8.6090 120.1536 58.5608 41.8564 174.8711 40 S 4.6845 8.4644 116.2597 57.7752 63.8382 175.0902 41 L 3.9755 8.7976 124.8418 58.3689 41.6846 179.1334 42 D 4.3940 8.1392 118.5145 57.6476 40.7869 178.9331 43 S 4.1098 8.0104 115.1559 61.4474 62.8298 176.7108 44 V 3.5981 7.5982 120.6295 66.2697 31.0763 178.0329 45 E 4.0108 8.2627 118.1294 59.4287 29.1033 179.1783 46 E 4.0110 8.2355 117.8510 58.8977 29.6209 178.5396 47 L 4.3820 8.0408 116.7477 53.9408 42.2403 176.7760 48 G 3.8446 7.7223 106.9179 46.0005 0.0000 174.4334 49 V 3.6202 7.6493 119.5215 62.8142 32.1599 175.0269 50 K 4.4809 8.2300 123.7486 55.5171 35.0796 174.4493 51 E 4.2282 8.5533 119.1500 58.4232 29.6670 178.5405 52 G 4.0081 9.0998 112.3813 44.9971 0.0000 173.7734 53 A 4.1168 7.8641 122.1614 52.2775 19.6377 176.4611 54 E 4.8257 8.6818 121.3432 55.5454 30.6077 175.6042 55 L 4.9170 8.9916 123.8754 53.5353 47.1962 175.1211 56 T 5.0519 8.3678 115.4262 61.8636 71.2241 173.9547 57 A 4.3910 9.0494 129.1431 51.2039 20.2391 176.1332 58 V 4.8366 8.4078 122.3538 61.0459 33.6350 174.8221 59 V 4.4794 8.6589 127.6284 60.7220 34.6452 175.0906 60 K 4.2203 8.6749 127.2177 56.2233 32.9575 178.1200 61 S 4.1030 8.8425 119.1769 62.0317 62.8786 176.4057 62 T 4.1240 7.8625 107.5316 63.1651 68.6790 174.3298 63 D 4.6401 8.0688 121.5548 54.1552 41.4334 176.0834 64 V 4.1094 7.4570 120.5672 61.5991 32.0786 175.3117 65 M 4.5014 8.3881 126.7608 54.2353 33.4918 175.3667 66 I 4.4490 8.0709 120.9680 59.3657 39.6625 174.9196 67 L 4.5644 8.5237 126.3510 53.1383 43.7751 175.8132 68 A 4.3338 8.5600 127.6005 52.3034 19.1903 176.1708 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 S 8.33 4.43 0.00 3.88 3.96 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 3 I 7.40 4.39 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 1.47 0.99 0.91 0.00 0.00 4 S 9.01 4.16 0.00 4.02 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 5 A 7.94 4.00 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 6 R 8.64 4.02 0.00 1.81 2.00 0.00 3.34 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.59 0.00 7 N 7.84 4.84 0.00 2.86 2.74 0.00 0.00 6.58 7.86 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 8 Q 8.65 4.79 0.00 1.87 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.79 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 9 L 8.95 4.66 0.00 1.53 1.57 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.69 4.59 0.00 1.71 1.72 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.45 7.81 11 G 8.99 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 0.00 0.00 0.00 0.00 12 K 8.51 5.20 0.00 1.82 1.89 0.00 1.32 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.34 7.81 13 V 8.76 4.21 2.23 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 1.04 0.00 0.00 0.93 0.00 0.00 14 V 8.53 4.42 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 0.89 0.00 0.00 0.93 0.00 0.00 15 G 7.79 4.32 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 0.00 16 L 8.26 5.09 0.00 1.59 1.51 0.97 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 17 K 9.30 4.55 0.00 1.80 1.59 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.39 7.81 18 K 8.88 4.60 0.00 1.67 1.71 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.43 7.81 19 G 8.73 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.41 4.01 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 21 V 7.73 4.34 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 1.04 0.00 0.00 0.93 0.00 0.00 22 T 7.72 5.24 4.37 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 1.21 0.00 0.00 23 A 9.12 5.04 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 24 E 9.38 4.99 0.00 1.99 1.80 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 2.21 2.22 0.00 25 V 8.90 4.79 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 0.90 0.00 0.00 0.93 0.00 0.00 26 V 8.74 4.79 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 0.80 0.00 0.00 0.93 0.00 0.00 27 L 8.95 5.19 0.00 1.58 1.53 0.92 0.56 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 28 E 9.20 4.82 0.00 2.02 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 2.26 2.25 0.00 29 I 8.92 4.77 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 1.31 1.13 0.91 0.00 0.00 30 A 8.47 3.96 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 31 G 9.08 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 32 G 7.82 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.76 4.67 0.00 2.69 2.74 0.00 0.00 6.90 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 34 K 8.51 5.12 0.00 1.60 1.68 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.39 7.81 35 I 8.85 4.61 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 1.23 1.62 0.96 0.00 0.00 36 T 8.61 5.07 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 37 S 9.26 4.77 0.00 3.81 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 38 I 8.43 5.03 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 1.40 0.78 0.91 0.00 0.00 39 I 8.61 4.87 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 1.28 1.31 0.91 0.00 0.00 40 S 8.46 4.68 0.00 4.02 4.03 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 0.00 0.00 0.00 41 L 8.80 3.98 0.00 1.75 1.71 0.96 1.21 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 42 D 8.14 4.39 0.00 2.80 2.71 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 0.00 0.00 0.00 0.00 43 S 8.01 4.11 0.00 4.06 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 44 V 7.60 3.60 2.25 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 1.03 0.00 0.00 0.93 0.00 0.00 45 E 8.26 4.01 0.00 2.16 1.98 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 2.58 2.49 0.00 46 E 8.24 4.01 0.00 1.94 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 2.34 2.52 0.00 47 L 8.04 4.38 0.00 1.69 1.71 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.72 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.65 3.62 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 0.96 0.00 0.00 50 K 8.23 4.48 0.00 1.93 1.85 0.00 1.58 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.51 1.43 7.81 51 E 8.55 4.23 0.00 2.01 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 2.40 2.27 0.00 52 G 9.10 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 53 A 7.86 4.12 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 54 E 8.68 4.83 0.00 1.86 1.91 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 2.27 2.33 0.00 55 L 8.99 4.92 0.00 1.52 1.51 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.37 5.05 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 57 A 9.05 4.39 1.23 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 0.00 0.00 58 V 8.41 4.84 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 0.99 0.00 0.00 59 V 8.66 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 0.92 0.00 0.00 0.93 0.00 0.00 60 K 8.67 4.22 0.00 1.86 1.71 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.46 7.81 61 S 8.84 4.10 0.00 3.88 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.86 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 63 D 8.07 4.64 0.00 2.83 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 7.46 4.11 2.18 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 0.78 0.00 0.00 0.93 0.00 0.00 65 M 8.39 4.50 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 66 I 8.07 4.45 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 0.87 0.91 0.00 0.00 67 L 8.52 4.56 0.00 1.55 1.53 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.56 4.33 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00