NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3448 8.2644 123.5841 52.5650 19.8886 177.2092 3 R 4.2708 7.8765 121.9925 57.5208 32.6726 175.8362 4 K 3.8078 8.4760 120.2758 59.4738 33.5297 178.0907 5 A 4.0987 8.0607 120.1064 54.4473 18.1405 178.5473 6 L 4.4247 7.4999 116.6762 56.0752 41.6794 178.8620 7 I 3.8153 8.1244 114.0634 63.4249 37.7618 177.4907 8 E 3.9804 8.0427 118.9516 57.5746 29.6382 177.9751 9 K 4.0622 7.4917 117.5321 58.5723 32.2663 178.2787 10 A 3.8672 7.4452 120.7424 54.7839 18.7502 179.1457 11 K 4.0435 7.2883 115.5041 58.3210 32.2404 177.2918 12 R 3.8330 7.2278 119.7825 57.4675 29.2768 177.1525 13 T 4.6415 8.2128 122.2325 62.5020 69.2814 175.0958 14 P 4.3304 0.0000 0.0000 64.7271 31.8054 176.3206 15 K 4.2692 7.0342 114.7943 54.5414 34.1052 175.4358 16 F 3.9374 7.5216 118.3928 56.0844 39.8329 177.0910 17 K 4.2886 8.6694 121.9398 58.0677 32.6628 178.0775 18 V 3.8299 7.8072 119.9546 65.7882 31.6907 176.6967 19 R 4.3410 8.0578 115.9934 56.7740 30.2090 177.2291 20 A 4.2913 7.6609 122.6403 50.9722 17.4350 176.7385 21 Y 4.5594 7.5179 119.8706 55.9673 40.7424 175.5622 22 T 4.4627 8.2069 110.1424 60.9753 70.9691 173.3611 23 R 4.6665 7.8020 118.2611 55.2869 32.6677 173.7719 24 C 4.4869 9.0389 125.6025 59.5878 32.2068 173.8422 25 V 3.7906 8.3397 126.4420 66.1442 31.5704 177.8902 26 R 4.0972 8.1296 117.5647 58.4341 30.2042 176.8226 27 C 4.8594 7.7476 110.8272 55.9509 32.1910 175.2489 28 G 3.9414 8.5519 112.4001 45.4962 0.0000 172.0103 29 R 4.5388 7.7061 120.3942 54.7091 32.5799 176.2684 30 A 4.2844 8.7154 128.0953 54.3701 19.2887 177.7628 31 R 4.3065 7.8291 113.3060 55.3966 32.0766 175.8286 32 S 3.4773 8.2488 111.3628 59.2856 61.7545 172.9376 33 V 4.5225 7.3844 118.2895 62.2987 32.4326 174.4089 34 Y 4.3362 8.7665 126.4076 57.6062 38.4144 177.4870 35 R 4.0746 8.7389 123.6415 59.0486 30.5436 178.0550 36 F 4.3499 8.3307 119.4999 61.2075 39.7460 176.3695 37 F 3.8938 8.3311 118.3214 58.4939 39.2680 177.0917 38 G 3.9949 8.6284 107.1644 45.3569 0.0000 172.5700 39 L 5.0314 7.6795 119.0156 52.7560 44.5504 176.1181 40 C 5.8001 8.4298 117.8832 56.7560 32.9366 174.4183 41 R 4.0158 8.2641 116.4733 59.4474 28.9469 178.9991 42 I 3.7208 7.6643 120.0924 64.4065 37.2407 177.8839 43 C 4.1911 8.0028 116.9127 62.7976 28.0955 175.4253 44 L 3.5116 7.9736 122.3195 58.5195 41.5031 179.2292 45 R 3.8440 7.6717 118.1486 58.9932 30.0865 178.3302 46 E 3.9707 7.9587 118.5263 59.4816 29.5432 179.2906 47 L 4.0452 8.2890 119.1255 57.4023 41.4332 179.4018 48 A 4.0268 7.6688 120.2887 55.3207 18.4053 179.0019 49 H 4.2832 7.9645 113.8831 58.8228 28.7817 178.0095 50 K 4.1538 7.6264 119.2245 59.9259 32.3687 178.4656 51 G 4.0899 8.4500 105.7934 45.4609 0.0000 175.2336 52 Q 4.2063 7.9712 114.9756 56.3757 28.1236 175.5960 53 L 4.6589 7.7067 119.0181 52.0020 43.3487 174.6663 54 P 4.1210 0.0000 0.0000 64.0791 31.4687 178.1016 55 G 4.0364 9.0116 111.7802 45.9078 0.0000 173.7023 56 V 3.7144 7.6971 119.9453 63.1430 31.7307 175.1137 57 R 4.6429 8.2114 126.0043 53.7695 33.3052 174.1985 58 K 3.9198 8.6524 123.6809 56.1652 32.4371 176.5973 59 A 4.2719 8.5279 129.7902 52.7781 18.8501 177.6675 60 S 4.5060 8.4709 118.4591 57.0690 64.7267 174.3703 61 W 4.7674 7.9346 121.0505 56.4076 28.0727 175.6702 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 A 8.26 4.34 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.88 4.27 0.00 1.91 1.89 0.00 3.20 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 4 K 8.48 3.81 0.00 1.92 1.79 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.57 7.81 5 A 8.06 4.10 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 6 L 7.50 4.42 0.00 1.73 1.80 1.03 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.12 3.82 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 1.87 0.83 0.98 0.00 0.00 8 E 8.04 3.98 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 9 K 7.49 4.06 0.00 2.08 2.05 0.00 1.83 0.00 0.00 1.78 0.00 0.00 3.16 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.49 7.81 10 A 7.45 3.87 1.08 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 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.29 4.04 0.00 1.52 1.82 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.64 7.81 12 R 7.23 3.83 0.00 1.86 1.93 0.00 3.11 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 13 T 8.21 4.64 4.21 0.00 0.00 0.00 0.00 0.00 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 14 P 0.00 4.33 0.00 2.13 2.15 0.00 3.86 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 15 K 7.03 4.27 0.00 1.79 1.89 0.00 1.73 0.00 0.00 1.44 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.59 7.81 16 F 7.52 3.94 0.00 3.08 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 17 K 8.67 4.29 0.00 1.90 1.96 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.48 7.81 18 V 7.81 3.83 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.98 0.00 0.00 19 R 8.06 4.34 0.00 2.11 2.10 0.00 3.46 0.00 0.00 3.37 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 20 A 7.66 4.29 1.24 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 21 Y 7.52 4.56 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.21 4.46 4.30 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 1.26 0.00 0.00 23 R 7.80 4.67 0.00 1.74 1.78 0.00 3.38 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 24 C 9.04 4.49 0.00 3.06 3.22 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 25 V 8.34 3.79 2.10 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 0.82 0.00 0.00 1.02 0.00 0.00 26 R 8.13 4.10 0.00 1.85 1.98 0.00 3.20 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 27 C 7.75 4.86 0.00 3.05 2.89 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 28 G 8.55 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.71 4.54 0.00 1.86 1.82 0.00 3.20 0.00 0.00 3.38 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.62 0.00 30 A 8.72 4.28 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 31 R 7.83 4.31 0.00 1.82 1.88 0.00 3.35 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 32 S 8.25 3.48 0.00 4.16 4.09 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 0.00 0.00 0.00 33 V 7.38 4.52 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.08 0.00 0.00 34 Y 8.77 4.34 0.00 3.29 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.74 4.07 0.00 1.89 2.06 0.00 3.23 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 36 F 8.33 4.35 0.00 2.88 3.03 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 37 F 8.33 3.89 0.00 3.10 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.63 3.99 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 0.00 0.00 0.00 39 L 7.68 5.03 0.00 1.64 1.53 0.84 0.87 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 40 C 8.43 5.80 0.00 3.31 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.26 4.02 0.00 2.15 2.43 0.00 2.82 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 42 I 7.66 3.72 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.31 0.92 0.00 0.00 43 C 8.00 4.19 0.00 2.95 2.94 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 0.00 0.00 0.00 44 L 7.97 3.51 0.00 1.32 1.57 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.67 3.84 0.00 1.91 1.88 0.00 3.18 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 46 E 7.96 3.97 0.00 2.22 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 2.33 2.54 0.00 47 L 8.29 4.05 0.00 1.55 1.66 0.90 0.63 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 48 A 7.67 4.03 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 49 H 7.96 4.28 0.00 3.41 3.34 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.63 4.15 0.00 1.90 1.87 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.73 7.81 51 G 8.45 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 7.97 4.21 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 53 L 7.71 4.66 0.00 1.64 1.72 0.67 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.12 0.00 2.24 2.06 0.00 3.78 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 55 G 9.01 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.70 3.71 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 1.24 0.00 0.00 57 R 8.21 4.64 0.00 1.77 1.75 0.00 3.32 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 58 K 8.65 3.92 0.00 1.76 1.74 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.40 7.81 59 A 8.53 4.27 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.47 4.51 0.00 3.87 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 61 W 7.93 4.77 0.00 3.29 3.13 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