NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 46 M 4.2822 8.3001 120.3138 54.9151 33.8514 175.7656 47 A 4.0309 8.0952 123.2294 50.7598 16.1750 178.2104 48 T 4.1116 8.0913 112.7486 60.6398 69.5995 173.3983 49 T 4.1958 8.0926 124.3215 62.8454 69.5759 175.0286 50 T 4.3055 8.3434 116.1706 60.6464 69.2029 174.0411 51 L 4.7774 8.1825 126.0478 52.1733 44.5686 176.5731 52 G 3.6752 8.4861 110.5341 45.4448 0.0000 174.2209 53 V 4.1976 8.0811 123.9454 60.4163 33.6399 176.4904 54 K 4.5361 8.1333 117.9822 54.0831 31.8703 175.3590 55 L 4.7900 7.7598 120.0663 52.7432 44.7877 176.3652 56 D 4.9792 8.1320 120.5407 52.5978 44.2931 176.9896 57 D 4.3832 8.6591 122.5757 57.3363 40.7614 177.3428 58 P 4.2260 0.0000 0.0000 66.3280 31.4549 178.7302 59 T 3.8581 7.8397 113.5303 66.6315 68.2222 176.4462 60 R 3.9111 9.2071 119.5408 59.6505 30.4152 178.0739 61 E 4.1063 8.4792 118.5220 59.3614 29.4371 179.2890 62 R 3.9497 7.7527 118.8948 59.2596 30.0677 178.5229 63 L 4.0067 7.9388 119.0584 57.5145 41.5579 179.0617 64 K 3.8930 7.9161 119.0004 59.6667 32.1222 178.5376 65 A 4.0158 7.9893 120.6371 55.0806 17.9925 179.4665 66 A 3.9538 7.8959 118.5948 55.3006 18.4590 179.5836 67 A 4.1983 8.4826 119.7270 55.3812 18.1973 179.8959 68 Q 3.6396 8.4639 116.2515 58.9727 28.7647 178.4288 69 S 4.2303 7.7589 113.4575 60.6090 62.5124 175.0646 70 I 4.2135 7.1139 118.1811 59.4474 39.5836 173.8316 71 D 4.3094 8.7759 117.5652 56.2884 39.1566 171.6917 72 R 4.6823 7.3926 116.6167 54.0364 34.1645 176.2787 73 T 4.2055 7.9682 114.7000 63.0941 70.2535 173.2955 74 P 4.3767 0.0000 0.0000 66.4161 31.1849 177.9871 75 H 4.1016 8.2819 116.0067 59.5735 29.6899 176.6280 76 W 4.2212 8.4997 129.2585 60.4140 30.4644 177.4304 77 L 4.1393 8.9154 121.1993 58.1879 41.5732 178.6990 78 I 3.7356 7.9099 119.8396 64.6543 37.0009 178.3990 79 K 3.9984 7.7553 118.3690 59.4588 31.7511 179.4692 80 Q 3.9535 7.9760 117.4891 59.1024 28.6144 178.2259 81 A 3.7899 8.1884 120.6224 54.9799 18.0730 179.0225 82 I 4.0108 7.6989 116.4587 63.6411 38.5144 177.7689 83 F 4.2027 8.8608 121.8700 61.4008 39.3377 176.7073 84 N 3.1895 7.9452 117.1292 56.2978 38.5738 176.0591 85 Y 4.1600 7.4489 120.7191 60.5404 38.8286 178.2732 86 L 3.6288 7.9778 120.0479 57.6480 41.5768 179.0466 87 E 3.9662 7.8315 117.4706 59.2877 29.5968 178.3189 88 K 4.0569 8.1557 118.9964 58.9776 32.2418 178.3249 89 L 4.1683 7.3397 117.9088 56.3358 40.6477 176.5722 90 E 3.9995 7.6349 126.1764 56.8327 29.5304 176.2224 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 46 M 8.30 4.28 0.00 1.86 1.90 0.00 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 47 A 8.10 4.03 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 48 T 8.09 4.11 4.15 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 1.07 0.00 0.00 49 T 8.09 4.20 4.23 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 1.20 0.00 0.00 50 T 8.34 4.31 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 51 L 8.18 4.78 0.00 1.62 1.59 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.49 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 0.00 0.00 0.00 53 V 8.08 4.20 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 0.78 0.00 0.00 0.91 0.00 0.00 54 K 8.13 4.54 0.00 1.69 1.73 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.39 7.81 55 L 7.76 4.79 0.00 1.58 1.53 0.90 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.13 4.98 0.00 2.65 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.66 4.38 0.00 2.67 2.72 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 58 P 0.00 4.23 0.00 2.14 2.13 0.00 3.52 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 59 T 7.84 3.86 4.47 0.00 0.00 0.00 0.00 0.00 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 60 R 9.21 3.91 0.00 1.86 2.13 0.00 3.25 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 61 E 8.48 4.11 0.00 2.17 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 2.53 2.46 0.00 62 R 7.75 3.95 0.00 1.78 2.02 0.00 3.26 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 63 L 7.94 4.01 0.00 2.03 1.72 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.92 3.89 0.00 1.97 1.83 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.63 7.81 65 A 7.99 4.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 7.90 3.95 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 67 A 8.48 4.20 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 8.46 3.64 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.90 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 69 S 7.76 4.23 0.00 3.91 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 70 I 7.11 4.21 1.92 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.08 1.07 0.00 0.00 71 D 8.78 4.31 0.00 2.81 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 72 R 7.39 4.68 0.00 1.91 1.81 0.00 3.47 0.00 0.00 3.73 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.61 0.00 73 T 7.97 4.21 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 1.39 0.00 0.00 74 P 0.00 4.38 0.00 2.20 2.13 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 75 H 8.28 4.10 0.00 3.22 3.46 0.00 5.76 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 W 8.50 4.22 0.00 3.61 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.92 4.14 0.00 1.85 1.95 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.91 3.74 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.04 0.92 0.00 0.00 79 K 7.76 4.00 0.00 1.67 1.74 0.00 0.72 0.00 0.00 0.61 0.00 0.00 2.43 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.25 1.37 7.81 80 Q 7.98 3.95 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.58 2.82 0.00 81 A 8.19 3.79 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 82 I 7.70 4.01 2.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.30 1.07 0.00 0.00 83 F 8.86 4.20 0.00 3.08 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 84 N 7.95 3.19 0.00 2.24 2.60 0.00 0.00 6.80 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 7.45 4.16 0.00 2.95 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 86 L 7.98 3.63 0.00 1.91 1.68 1.03 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 87 E 7.83 3.97 0.00 1.94 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 2.26 2.44 0.00 88 K 8.16 4.06 0.00 1.82 1.71 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.37 7.81 89 L 7.34 4.17 0.00 1.61 1.54 0.68 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 90 E 7.63 4.00 0.00 1.99 1.95 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 2.31 2.28 0.00