NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5279 8.2233 120.3110 53.2320 40.5808 176.0834 2 Y 4.0856 8.7175 113.3656 61.2429 37.8335 176.5812 3 L 4.0519 9.0736 120.7781 58.4092 42.1615 179.6207 4 R 3.9346 7.8205 117.0048 59.0168 30.1806 178.2468 5 E 4.3229 8.1886 117.3682 57.7580 29.9713 177.9512 6 L 4.1947 8.3193 119.5572 57.7552 41.6633 178.5094 7 Y 4.0256 8.4062 119.9808 60.6296 38.8105 177.8226 8 K 4.8227 8.0891 121.5420 58.8892 32.2357 178.3876 9 L 3.9550 7.8742 120.3182 58.3852 42.1423 178.8745 10 E 3.9633 8.0172 117.8460 59.5009 29.3204 179.4800 11 Q 3.9275 7.6716 117.9667 58.9364 28.7067 178.6637 12 Q 3.9800 8.3171 119.0117 58.6845 28.7327 178.3457 13 A 3.9962 8.1945 121.9813 55.6585 18.4375 179.6845 14 M 4.1553 8.0529 116.7422 58.2231 32.0038 179.1498 15 K 3.9540 7.9183 118.6461 59.6508 32.1031 179.3402 16 L 4.1150 8.2994 118.6767 57.0973 41.5665 178.7034 17 Y 4.1459 8.0178 116.8387 60.0850 37.9296 178.1220 18 R 3.9453 8.0574 119.4411 59.4182 30.5007 178.8175 19 E 4.0109 8.3049 117.9481 59.1562 29.2137 179.2478 20 A 4.1766 7.7763 120.7928 54.7690 18.0977 179.6221 21 S 4.0719 8.2128 111.9159 61.2317 62.2452 175.5712 22 E 3.9633 7.9871 121.1741 59.8261 29.4775 178.4044 23 R 3.9461 8.0290 116.3175 56.7458 29.7740 178.6471 24 V 3.5171 6.3283 123.8705 66.5905 32.5490 178.3699 25 G 3.7067 7.6461 104.7888 46.5074 0.0000 172.7113 26 D 4.6844 7.9605 119.7794 51.8456 41.9073 174.6976 27 P 4.3287 0.0000 0.0000 65.9702 31.1626 178.8111 28 V 3.6800 7.7580 116.7101 64.4358 30.8903 178.2280 29 L 3.9319 8.5093 121.5216 57.9592 42.0211 178.7004 30 A 3.9856 7.9337 120.8331 54.5286 17.8010 179.5876 31 K 3.8392 7.7385 118.0414 59.7672 32.4350 179.0397 32 I 3.5831 7.9120 120.3831 63.9595 36.6893 178.1810 33 L 3.7469 7.2209 121.2241 57.7739 41.4307 178.5141 34 E 4.1286 7.8711 120.2668 58.4309 29.3715 178.5926 35 D 4.0757 7.5477 118.1828 57.3303 41.0878 178.1367 36 E 3.7485 7.7809 118.8496 59.6994 28.9006 179.6694 37 E 3.7953 7.6931 118.2812 59.4688 29.5174 179.6666 38 K 3.6359 7.1946 117.5483 59.2331 31.8488 179.2198 39 H 4.2385 7.8058 116.9388 58.7007 28.5502 177.7825 40 I 3.6573 7.4758 121.3881 64.3735 36.7265 178.2887 41 E 3.9551 7.4117 117.7569 59.3909 29.4067 179.2239 42 W 4.6636 7.8967 117.8419 59.8648 29.3711 178.1943 43 L 4.3088 8.6735 119.4783 57.7259 40.7946 178.8003 44 E 4.2224 8.0107 114.7000 57.1703 29.1891 176.6295 45 T 4.7244 7.8734 112.6247 63.3594 69.8492 174.1030 46 I 4.1126 7.9570 127.8903 61.5183 37.5770 175.5754 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 8.22 4.53 0.00 2.82 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 Y 8.72 4.09 0.00 3.15 3.01 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 3 L 9.07 4.05 0.00 1.78 1.82 1.07 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.82 3.93 0.00 2.05 2.00 0.00 3.02 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 5 E 8.19 4.32 0.00 2.14 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 2.39 2.50 0.00 6 L 8.32 4.19 0.00 2.08 1.78 0.94 0.78 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 7 Y 8.41 4.03 0.00 3.25 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.09 4.82 0.00 1.98 1.86 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.35 7.81 9 L 7.87 3.95 0.00 2.07 1.78 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.02 3.96 0.00 2.05 1.87 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 2.55 2.48 0.00 11 Q 7.67 3.93 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.18 2.13 0.00 12 Q 8.32 3.98 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 13 A 8.19 4.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 M 8.05 4.16 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 15 K 7.92 3.95 0.00 1.99 1.85 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.81 7.81 16 L 8.30 4.12 0.00 1.56 1.55 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.02 4.15 0.00 3.24 2.92 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 18 R 8.06 3.95 0.00 2.14 1.98 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 19 E 8.30 4.01 0.00 2.01 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 2.32 2.52 0.00 20 A 7.78 4.18 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.21 4.07 0.00 4.03 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 22 E 7.99 3.96 0.00 2.02 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 0.00 2.33 2.38 0.00 23 R 8.03 3.95 0.00 1.89 1.76 0.00 3.35 0.00 0.00 3.14 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 24 V 6.33 3.52 2.27 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 0.74 0.00 0.00 0.94 0.00 0.00 25 G 7.65 3.71 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 0.00 0.00 0.00 26 D 7.96 4.68 0.00 2.70 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.33 0.00 2.18 2.10 0.00 3.65 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 28 V 7.76 3.68 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 1.03 0.00 0.00 0.92 0.00 0.00 29 L 8.51 3.93 0.00 2.09 1.70 1.08 1.16 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 30 A 7.93 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.74 3.84 0.00 1.79 1.94 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.48 7.81 32 I 7.91 3.58 1.30 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 1.28 0.82 0.24 0.00 0.00 33 L 7.22 3.75 0.00 1.73 1.66 0.92 0.69 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 34 E 7.87 4.13 0.00 2.03 1.83 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 2.21 2.12 0.00 35 D 7.55 4.08 0.00 2.88 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.78 3.75 0.00 1.88 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 0.00 2.40 2.46 0.00 37 E 7.69 3.80 0.00 2.02 1.85 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 2.23 2.46 0.00 38 K 7.19 3.64 0.00 1.14 0.74 0.00 1.49 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.09 1.30 7.81 39 H 7.81 4.24 0.00 3.29 3.43 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.48 3.66 1.93 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.75 0.85 0.00 0.00 41 E 7.41 3.96 0.00 1.70 1.97 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 2.29 2.35 0.00 42 W 7.90 4.66 0.00 3.44 3.15 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 0.00 0.00 0.00 0.00 43 L 8.67 4.31 0.00 2.08 1.92 1.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.01 4.22 0.00 2.33 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 0.00 2.38 2.44 0.00 45 T 7.87 4.72 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 1.25 0.00 0.00 46 I 7.96 4.11 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.78 0.95 0.00 0.00