NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4553 8.1933 115.2949 58.1290 62.3284 174.0931 5 S 4.2464 8.4808 124.5588 59.1033 61.4053 174.4741 6 L 3.7725 8.0938 123.9732 57.9024 42.1761 177.7256 7 Y 4.3033 7.9564 119.8104 60.6134 38.5099 177.4819 8 K 4.2883 8.2722 118.2133 58.4921 31.8931 179.0053 9 T 3.8325 7.0433 109.9945 64.2607 69.0993 176.6290 10 F 4.0692 6.8582 117.0242 59.2486 39.2852 177.2492 11 F 4.7513 7.4362 113.3912 55.5145 41.1735 176.3039 12 K 3.8240 8.8982 112.1199 57.1471 28.6095 175.2957 13 R 3.9668 8.2937 113.7925 56.8440 29.8473 177.0118 14 N 4.8420 8.0386 115.0987 51.5932 40.1461 174.7949 15 A 4.3041 8.0190 122.6513 51.0594 19.2401 177.6783 16 V 3.0363 7.5993 119.8231 62.3705 32.3355 176.5961 17 F 4.6528 7.8385 125.4900 56.7267 41.2007 176.9556 18 V 3.3590 8.5524 115.6373 64.7563 31.2944 179.1200 19 G 3.6048 7.9579 104.4780 48.3213 0.0000 175.7472 20 T 4.0353 7.8935 117.8478 66.0696 68.5422 176.9671 21 I 3.6879 7.6599 121.8688 64.3868 37.1958 178.4059 22 F 4.6709 8.7382 118.7083 60.7383 38.5732 177.5792 23 A 3.9862 8.2812 120.4711 55.2199 18.1126 179.9835 24 G 3.6194 8.5393 104.1588 47.7631 0.0000 175.8316 25 A 4.1336 8.2767 123.1156 55.1838 18.5691 179.7394 26 F 4.0888 8.6409 115.9729 60.5509 38.9547 178.1508 27 V 3.7615 7.8345 117.8413 65.9627 31.4593 177.5594 28 F 4.0322 8.5722 120.7375 61.5451 39.0615 176.4834 29 Q 4.0654 8.4597 119.0014 59.8628 28.7768 179.1500 30 T 3.8385 7.5575 114.8694 66.5696 68.5956 176.8975 31 V 3.5165 7.6869 120.0435 66.0912 31.5937 177.6051 32 F 3.9570 8.2116 120.5512 61.3401 38.9569 176.5412 33 D 4.1211 7.8068 117.2532 57.5811 40.9297 178.4326 34 T 3.7978 7.7078 115.4775 66.5098 68.4933 176.4484 35 A 3.9738 7.9271 122.6595 55.3046 18.2705 179.8739 36 I 3.5731 7.4414 118.0342 64.8104 37.1134 178.7300 37 T 3.9360 8.0572 116.8516 66.7045 68.2499 176.7471 38 S 4.1300 8.4115 117.2704 61.3792 62.9629 176.3964 39 W 4.0778 8.1874 130.7868 60.6713 30.4596 177.1565 40 Y 4.1509 8.7158 119.6401 61.0958 38.0743 178.1336 41 E 3.9189 8.3972 118.2128 59.1567 29.7986 178.7242 42 N 4.2882 8.1372 117.2001 56.9528 38.8752 176.4521 43 H 3.6893 7.8186 118.4719 58.2832 29.8801 175.7937 44 N 4.6959 7.1983 116.6140 51.4585 39.2520 174.3208 45 K 4.0726 7.0837 122.2850 58.1159 32.6595 175.5997 46 G 4.1093 10.0611 114.8791 45.5991 0.0000 174.6849 47 K 4.2240 7.4878 117.3732 57.8341 33.0803 178.0046 48 L 4.2630 7.6797 118.2252 54.1954 43.4613 177.7640 49 W 4.4365 8.7823 130.0978 60.4213 30.2719 178.4168 50 K 3.6563 8.0785 118.2666 59.6175 31.3160 178.7830 51 D 4.2962 7.8069 117.1345 57.2769 40.9813 178.5564 52 V 3.6061 7.4949 118.7840 65.6589 31.3991 178.0500 53 K 3.3285 7.4870 119.3987 58.8271 31.5943 178.7047 54 A 3.9692 7.1902 119.3851 54.3491 18.2125 178.0260 55 R 4.4380 7.1895 114.8882 56.0253 30.3037 176.1634 56 I 4.5000 7.2509 117.5743 59.6285 40.3450 175.9451 57 A 4.3408 8.2567 126.6164 51.3683 19.7739 176.1579 58 A 4.2310 8.1971 123.2276 53.2883 19.3916 175.8918 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 4 S 8.19 4.46 0.00 3.91 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 5 S 8.48 4.25 0.00 4.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.09 3.77 0.00 1.84 1.80 1.12 0.97 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 7 Y 7.96 4.30 0.00 3.16 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 8 K 8.27 4.29 0.00 1.88 1.88 0.00 1.77 0.00 0.00 1.92 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.67 1.67 7.81 9 T 7.04 3.83 3.75 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 1.14 0.00 0.00 10 F 6.86 4.07 0.00 1.93 1.73 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 11 F 7.44 4.75 0.00 2.18 2.85 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 0.00 0.00 0.00 12 K 8.90 3.82 0.00 1.92 1.78 0.00 2.10 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.31 7.81 13 R 8.29 3.97 0.00 2.13 2.19 0.00 3.06 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 14 N 8.04 4.84 0.00 3.00 2.77 0.00 0.00 6.92 6.91 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 15 A 8.02 4.30 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.60 3.04 1.71 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 0.46 0.00 0.00 -0.09 0.00 0.00 17 F 7.84 4.65 0.00 3.19 2.83 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 0.00 0.00 0.00 18 V 8.55 3.36 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 0.59 0.00 0.00 0.80 0.00 0.00 19 G 7.96 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.89 4.04 4.40 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 0.00 0.00 0.00 1.34 0.00 0.00 21 I 7.66 3.69 1.87 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.04 0.95 0.00 0.00 22 F 8.74 4.67 0.00 3.14 2.99 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 0.00 0.00 0.00 23 A 8.28 3.99 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 24 G 8.54 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.28 4.13 1.58 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 0.00 0.00 26 F 8.64 4.09 0.00 3.18 3.20 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 27 V 7.83 3.76 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 1.07 0.00 0.00 1.11 0.00 0.00 28 F 8.57 4.03 0.00 3.28 3.26 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 29 Q 8.46 4.07 0.00 2.37 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 30 T 7.56 3.84 4.39 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 1.22 0.00 0.00 31 V 7.69 3.52 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 0.98 0.00 0.00 1.03 0.00 0.00 32 F 8.21 3.96 0.00 1.74 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 33 D 7.81 4.12 0.00 2.90 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 34 T 7.71 3.80 4.33 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 1.21 0.00 0.00 35 A 7.93 3.97 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 36 I 7.44 3.57 1.51 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 -0.05 0.73 0.00 0.00 37 T 8.06 3.94 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 1.26 0.00 0.00 38 S 8.41 4.13 0.00 4.11 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 39 W 8.19 4.08 0.00 3.46 3.39 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 40 Y 8.72 4.15 0.00 3.36 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 41 E 8.40 3.92 0.00 2.03 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 2.42 2.60 0.00 42 N 8.14 4.29 0.00 2.80 2.76 0.00 0.00 6.78 7.29 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 43 H 7.82 3.69 0.00 1.64 2.65 0.00 5.97 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 7.20 4.70 0.00 2.53 2.57 0.00 0.00 6.52 7.79 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 45 K 7.08 4.07 0.00 1.81 1.61 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.32 7.81 46 G 10.06 4.11 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 0.00 47 K 7.49 4.22 0.00 1.87 1.85 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.35 7.81 48 L 7.68 4.26 0.00 1.92 1.62 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 49 W 8.78 4.44 0.00 3.36 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 50 K 8.08 3.66 0.00 1.77 1.76 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.57 7.81 51 D 7.81 4.30 0.00 2.71 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.49 3.61 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 1.05 0.00 0.00 1.08 0.00 0.00 53 K 7.49 3.33 0.00 0.79 1.32 0.00 1.54 0.00 0.00 1.47 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.17 1.08 7.81 54 A 7.19 3.97 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 55 R 7.19 4.44 0.00 1.69 1.89 0.00 3.07 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 56 I 7.25 4.50 1.88 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 1.36 0.85 0.93 0.00 0.00 57 A 8.26 4.34 1.19 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 0.00 0.00 58 A 8.20 4.23 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