NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 V 3.9788 8.0544 117.9063 60.4618 33.4871 175.2797 -1 L 4.0978 8.1519 126.6514 52.2881 40.8459 173.7115 0 L 4.1006 8.2567 125.5799 56.1818 42.9678 176.3328 1 G 3.9248 9.0501 112.0349 45.8118 0.0000 173.9432 2 D 4.5856 7.7028 120.7774 52.5782 39.6196 176.4177 3 V 3.5533 7.8838 122.9372 65.6617 31.9902 176.7101 4 N 4.4534 8.6715 114.2391 53.0661 37.4840 175.5791 5 G 3.8807 7.9582 107.0797 46.6113 0.0000 174.1194 6 D 4.4795 8.3418 117.1993 53.2866 39.7421 177.3492 7 G 3.9821 9.5726 109.2759 45.5585 0.0000 173.3623 8 T 4.5697 7.7222 112.3999 60.0854 70.4295 173.0712 9 I 4.5020 8.3530 128.5913 59.9800 37.8985 174.4873 10 N 4.9957 9.1386 123.4735 50.7843 40.1424 175.0171 11 S 4.2785 8.6441 111.8058 61.5796 63.0917 176.2015 12 T 3.9129 7.9758 119.8038 66.6958 68.0828 176.2348 13 D 4.3944 8.1308 120.8140 57.1537 40.7821 178.6264 14 L 3.9513 7.7435 120.4966 58.3007 42.1199 178.8572 15 T 3.8609 8.0357 115.7303 67.0211 68.4472 176.4303 16 M 4.0402 7.8987 120.0255 58.1831 31.9827 178.5948 17 L 3.9294 8.1119 120.4958 58.0971 42.4341 178.9960 18 K 3.9186 8.4335 118.7583 59.8407 32.0453 179.5964 19 R 3.9994 8.3472 118.6520 59.0891 29.9859 179.3250 20 S 4.7269 8.1890 115.6835 60.9399 62.8708 176.7824 21 V 3.6637 7.7535 121.0515 65.2161 31.2971 176.9921 22 L 4.4116 7.6034 116.0447 53.6801 41.5807 176.6406 23 R 3.8394 7.5739 115.9546 57.1951 28.2002 177.4556 24 A 4.2650 8.4256 123.4368 53.9265 19.1671 178.6653 25 I 4.7199 7.3110 107.4098 59.5235 40.8486 173.9072 26 T 4.6520 8.2224 117.9349 62.1059 69.8471 174.7994 27 L 4.3854 8.2122 125.8937 53.9666 43.1218 177.5503 28 T 4.1440 8.1416 112.5271 61.6977 70.7960 175.3955 29 D 4.3885 8.5498 121.6829 57.5971 40.9262 178.8052 30 D 4.3040 8.0960 118.9227 57.2655 40.9661 178.4647 31 A 4.1490 7.7796 121.4575 54.9404 17.7995 179.7806 32 K 3.9007 8.0562 116.7589 59.6023 31.8692 179.3862 33 A 4.0287 7.3860 119.6926 55.1552 18.5652 179.5646 34 R 4.0165 7.7350 115.0250 58.3993 29.9861 178.5617 35 A 4.2730 7.5678 119.6283 53.2199 20.2071 177.6353 36 D 4.7112 7.5001 117.9265 53.5825 39.4618 176.9416 37 V 3.7069 8.2602 116.4291 62.8983 32.1336 177.0632 38 D 4.6053 8.1974 116.7874 52.1992 40.0891 175.9734 39 K 3.9282 7.5904 118.2173 58.1942 29.7094 175.5194 40 N 4.6857 8.7382 113.0363 52.3625 38.1585 175.5461 41 G 3.9559 9.1781 107.6008 45.7561 0.0000 173.5589 42 S 4.6764 7.9953 113.7505 56.4092 66.4273 173.7730 43 I 4.5937 8.2303 123.7599 59.8577 38.3898 174.4713 44 N 4.8431 9.0346 122.9125 50.6245 40.2139 174.5014 45 A 3.9786 8.8439 118.2182 55.8546 18.1898 179.6345 46 A 3.9774 7.8876 118.4501 55.3304 18.3661 179.6963 47 D 4.2658 8.2519 117.5961 57.3613 40.9139 178.8663 48 V 3.5955 7.7894 118.2856 66.2142 31.4987 177.9585 49 L 4.0149 8.0500 118.5436 57.6093 41.4279 179.3155 50 L 3.9697 7.9038 120.2675 58.0190 41.9819 178.7374 51 L 3.9809 8.0623 120.3279 58.1920 42.0095 178.9333 52 S 4.1575 8.2111 115.0936 61.8936 62.7351 176.9409 53 R 3.9516 8.1464 120.5055 59.4347 29.8211 178.5516 54 Y 4.0203 8.2595 119.2318 60.8033 38.6365 178.1128 55 L 4.0606 8.2279 118.8812 57.4444 41.8062 178.7327 56 L 4.1800 7.7753 116.6824 54.8540 41.7797 177.8067 57 R 3.9040 7.5791 116.8766 56.6584 27.9881 177.7779 58 V 3.8038 7.5276 113.1745 63.1984 31.8356 176.4313 59 I 4.1815 7.4838 117.2070 60.8810 37.6056 174.9940 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 V 8.05 3.98 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 0.91 0.00 0.00 0.93 0.00 0.00 -1 L 8.15 4.10 0.00 1.78 1.59 0.91 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0 L 8.26 4.10 0.00 1.58 1.51 0.88 1.06 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 1 G 9.05 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 0.00 0.00 0.00 2 D 7.70 4.59 0.00 2.78 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 3 V 7.88 3.55 2.07 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 0.86 0.00 0.00 0.91 0.00 0.00 4 N 8.67 4.45 0.00 2.86 2.92 0.00 0.00 7.10 7.77 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 5 G 7.96 3.88 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 0.00 0.00 0.00 6 D 8.34 4.48 0.00 2.84 2.79 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 7 G 9.57 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 8 T 7.72 4.57 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 1.26 0.00 0.00 9 I 8.35 4.50 2.03 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 1.50 0.73 0.91 0.00 0.00 10 N 9.14 5.00 0.00 2.91 2.94 0.00 0.00 6.33 8.13 0.00 0.00 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 S 8.64 4.28 0.00 4.08 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 0.00 12 T 7.98 3.91 4.36 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 1.22 0.00 0.00 13 D 8.13 4.39 0.00 2.81 2.79 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 14 L 7.74 3.95 0.00 1.77 1.89 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.04 3.86 4.38 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 0.00 0.00 0.00 1.21 0.00 0.00 16 M 7.90 4.04 0.00 2.09 2.24 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.55 0.00 17 L 8.11 3.93 0.00 1.87 1.84 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.43 3.92 0.00 2.01 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.68 7.81 19 R 8.35 4.00 0.00 1.83 1.98 0.00 3.12 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 20 S 8.19 4.73 0.00 4.06 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 21 V 7.75 3.66 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 0.84 0.00 0.00 0.94 0.00 0.00 22 L 7.60 4.41 0.00 1.69 1.67 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.57 3.84 0.00 1.98 2.00 0.00 3.15 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 24 A 8.43 4.27 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 25 I 7.31 4.72 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 1.32 0.77 0.91 0.00 0.00 26 T 8.22 4.65 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 27 L 8.21 4.39 0.00 1.63 1.58 0.91 0.90 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 28 T 8.14 4.14 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 29 D 8.55 4.39 0.00 2.70 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 30 D 8.10 4.30 0.00 2.68 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 31 A 7.78 4.15 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 32 K 8.06 3.90 0.00 2.01 1.87 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.45 1.66 7.81 33 A 7.39 4.03 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 34 R 7.73 4.02 0.00 2.10 2.13 0.00 3.16 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 35 A 7.57 4.27 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.50 4.71 0.00 2.79 2.56 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 0.00 0.00 0.00 0.00 37 V 8.26 3.71 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.94 0.00 0.00 38 D 8.20 4.61 0.00 2.75 2.76 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 39 K 7.59 3.93 0.00 1.90 1.92 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.34 7.81 40 N 8.74 4.69 0.00 2.80 2.89 0.00 0.00 6.42 7.00 0.00 0.00 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 G 9.18 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 0.00 0.00 0.00 42 S 8.00 4.68 0.00 3.85 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 4.59 1.86 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 1.46 0.58 0.90 0.00 0.00 44 N 9.03 4.84 0.00 2.90 2.90 0.00 0.00 6.47 7.40 0.00 0.00 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 A 8.84 3.98 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 46 A 7.89 3.98 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.25 4.27 0.00 2.89 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 48 V 7.79 3.60 2.26 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 1.08 0.00 0.00 0.93 0.00 0.00 49 L 8.05 4.01 0.00 1.88 1.71 0.93 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.90 3.97 0.00 1.90 1.78 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.06 3.98 0.00 1.79 1.80 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.21 4.16 0.00 4.12 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.15 3.95 0.00 2.11 2.03 0.00 3.14 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 54 Y 8.26 4.02 0.00 3.09 3.11 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 55 L 8.23 4.06 0.00 1.83 1.75 1.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.78 4.18 0.00 1.75 1.70 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.58 3.90 0.00 1.92 2.00 0.00 3.09 0.00 0.00 3.13 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.62 0.00 58 V 7.53 3.80 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 0.67 0.00 0.00 0.99 0.00 0.00 59 I 7.48 4.18 1.95 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.77 0.94 0.00 0.00