NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3046 8.4449 118.7962 56.0078 31.9739 176.1398 4 R 3.9854 7.8315 118.5790 54.6471 31.1689 174.7880 5 P 4.1896 0.0000 0.0000 66.2709 32.2204 178.7933 6 L 3.9749 7.8512 116.5193 57.2898 41.5344 179.2225 7 D 4.3138 7.8951 119.3456 57.2922 40.5820 178.7249 8 V 3.5401 7.6251 116.6790 66.0932 31.8508 177.5166 9 I 3.6517 7.3548 118.9127 64.4842 36.9090 177.6553 10 H 4.1442 7.9424 119.1874 59.3183 29.5231 176.7805 11 R 4.1919 7.7400 113.8065 57.2560 29.7088 177.3862 12 S 4.5363 7.8704 115.8092 57.4865 63.3247 173.7604 13 L 4.1031 7.1234 122.8006 56.5433 41.7602 177.0015 14 D 4.5602 9.5508 121.9190 54.6695 39.1621 173.6129 15 K 4.7484 7.9220 118.9030 54.2146 35.7898 175.0388 16 D 4.9582 8.4974 121.9712 54.6856 42.6147 175.4107 17 V 4.9315 8.8792 117.3840 59.8110 37.0282 173.5057 18 L 5.0244 8.8029 124.5735 53.4433 44.4926 175.2036 19 V 4.6407 9.1152 127.1195 61.3865 33.4389 174.3056 20 I 4.5457 8.7748 130.7552 60.6217 37.1226 175.6687 21 L 4.9271 8.6285 127.2917 53.4887 43.2400 178.0059 22 K 4.0498 8.6805 121.4447 59.8242 32.0899 178.7943 23 K 3.8066 8.3454 120.0884 57.8092 32.0280 178.2469 24 G 4.8786 5.3800 116.4294 46.1653 0.0000 171.0469 25 F 5.1785 6.2640 115.7852 55.3261 41.5828 173.5820 26 E 5.1975 8.9713 116.4966 55.5827 34.6504 174.4318 27 F 5.4025 9.1731 118.8052 55.9934 42.9912 174.8207 28 R 5.0954 9.0884 120.0814 54.4001 34.5761 175.0002 29 G 4.0861 8.0658 107.9282 46.3836 0.0000 171.1748 30 R 4.8445 8.0981 120.8878 54.8809 31.3839 175.6484 31 L 4.6287 8.9126 130.1774 55.3299 42.8126 176.8070 32 I 4.6290 8.4339 118.3451 59.9821 38.9122 175.1221 33 G 4.1535 7.6998 108.7965 46.6407 0.0000 171.6906 34 Y 5.3939 7.7457 117.4196 56.7097 40.5546 172.1044 35 D 4.7958 8.5423 118.4267 51.1792 42.7580 176.1768 36 I 3.6727 8.3180 118.4571 64.0973 37.7973 175.8590 37 H 4.5853 8.2167 114.7251 55.5513 28.8236 175.1354 38 L 3.8103 8.2331 118.7400 55.6340 39.5498 174.2359 39 N 4.8901 8.3924 116.2511 53.4786 39.8233 174.7947 40 V 4.9957 8.8479 114.7186 59.6472 36.7871 174.4640 41 V 4.7882 8.7133 122.3004 61.1626 34.0898 174.3199 42 L 5.3186 8.9435 127.2208 52.8973 45.1658 175.2758 43 A 4.9504 8.9132 124.2246 50.4735 21.8945 175.8775 44 D 4.4910 8.1928 118.5707 55.4158 39.0029 173.2430 45 A 5.2755 8.3900 121.7255 50.5242 22.6865 177.3523 46 E 5.1593 9.2474 117.2753 54.8185 33.1444 174.3729 47 M 4.5668 9.1433 124.3294 55.0611 33.7412 174.7336 48 I 5.0052 8.9860 127.3286 59.6222 41.0419 174.6206 49 Q 4.4986 8.7363 126.7851 54.9162 32.2886 174.4904 50 D 4.1961 9.6755 127.9670 55.5897 38.2329 175.2488 51 G 3.9573 8.3270 105.3992 45.6832 0.0000 173.5049 52 E 4.4252 7.7041 120.4992 54.2796 30.8215 175.4483 53 V 4.1126 8.3305 123.8867 63.2307 31.5656 175.3953 54 V 4.1048 8.6145 122.0284 62.9544 32.7284 176.5176 55 K 4.6583 7.6900 117.2015 54.8019 36.9850 175.5264 56 R 5.0574 7.8053 118.6203 54.9329 34.2212 174.5336 57 Y 4.7348 9.2940 119.2660 56.2072 41.9117 176.8675 58 G 3.6739 8.9944 110.2305 49.1974 0.0000 173.3270 59 K 5.0762 7.7671 118.8447 55.3591 35.2696 174.8988 60 I 4.4589 8.8292 126.7684 59.3735 41.9306 173.4205 61 V 4.5808 8.2029 128.3841 61.3400 33.0148 174.5045 62 I 4.3530 8.7161 129.2680 59.4827 39.8867 175.3448 63 R 4.5702 8.4849 125.7965 55.2709 31.0282 177.9159 64 G 3.7576 9.6107 112.7379 48.5101 0.0000 175.0809 65 D 4.3346 8.1455 118.3103 56.8254 41.5109 176.4691 66 N 4.6663 8.0881 114.7860 53.6008 39.2189 174.8602 67 V 4.3588 7.5913 119.4082 62.4397 32.3518 175.1869 68 L 4.3977 9.0662 129.6432 57.3654 42.8202 176.0049 69 A 4.5951 7.4614 117.2896 51.3831 22.6654 175.0123 70 I 5.0675 8.2488 118.9651 59.7246 41.1205 175.1806 71 S 4.6972 9.0759 121.0844 55.5442 65.5869 171.0139 72 P 4.6856 0.0000 0.0000 62.7152 31.7441 176.5275 73 T 4.0811 8.2086 114.2574 61.7574 68.7883 174.2576 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 3 E 8.44 4.30 0.00 2.09 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 2.17 2.34 0.00 4 R 7.83 3.99 0.00 2.10 1.88 0.00 3.15 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 5 P 0.00 4.19 0.00 2.13 2.10 0.00 3.58 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 2.11 2.19 0.00 6 L 7.85 3.97 0.00 1.65 1.72 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.90 4.31 0.00 2.95 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 8 V 7.63 3.54 2.17 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 0.83 0.00 0.00 0.95 0.00 0.00 9 I 7.35 3.65 1.48 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.54 0.15 0.00 0.00 10 H 7.94 4.14 0.00 3.38 3.56 0.00 5.78 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.74 4.19 0.00 2.02 2.04 0.00 3.11 0.00 0.00 3.24 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.65 0.00 12 S 7.87 4.54 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 13 L 7.12 4.10 0.00 1.71 1.64 1.00 1.20 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 14 D 9.55 4.56 0.00 2.81 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 15 K 7.92 4.75 0.00 1.74 1.67 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.55 1.48 7.81 16 D 8.50 4.96 0.00 2.82 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 17 V 8.88 4.93 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 0.78 0.00 0.00 1.00 0.00 0.00 18 L 8.80 5.02 0.00 1.77 1.53 1.07 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.12 4.64 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 1.02 0.00 0.00 0.98 0.00 0.00 20 I 8.77 4.55 1.90 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 1.26 0.46 0.93 0.00 0.00 21 L 8.63 4.93 0.00 1.97 1.77 1.35 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.68 4.05 0.00 1.64 1.85 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.48 1.59 7.81 23 K 8.35 3.81 0.00 1.35 0.83 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.20 1.25 7.81 24 G 5.38 4.88 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 25 F 6.26 5.18 0.00 2.98 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 26 E 8.97 5.20 0.00 1.90 1.96 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 2.27 2.35 0.00 27 F 9.17 5.40 0.00 3.04 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.09 5.10 0.00 1.79 1.81 0.00 3.23 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 29 G 8.07 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 30 R 8.10 4.84 0.00 1.92 1.95 0.00 3.11 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.50 0.00 31 L 8.91 4.63 0.00 1.83 1.72 1.05 0.77 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 32 I 8.43 4.63 1.88 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 1.28 0.85 0.98 0.00 0.00 33 G 7.70 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 0.00 0.00 0.00 0.00 34 Y 7.75 5.39 0.00 3.00 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 35 D 8.54 4.80 0.00 2.79 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 36 I 8.32 3.67 1.84 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 1.37 0.62 0.67 0.00 0.00 37 H 8.22 4.59 0.00 3.34 3.32 0.00 5.85 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.23 3.81 0.00 1.83 1.83 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.39 4.89 0.00 2.96 2.74 0.00 0.00 6.80 7.03 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 40 V 8.85 5.00 2.11 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 0.81 0.00 0.00 0.92 0.00 0.00 41 V 8.71 4.79 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 0.95 0.00 0.00 0.90 0.00 0.00 42 L 8.94 5.32 0.00 1.52 1.50 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.91 4.95 1.22 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 0.00 0.00 44 D 8.19 4.49 0.00 2.82 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 45 A 8.39 5.28 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 46 E 9.25 5.16 0.00 2.00 2.05 0.00 0.00 0.00 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 2.29 0.00 47 M 9.14 4.57 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 2.09 0.00 48 I 8.99 5.01 1.86 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 1.11 0.73 0.91 0.00 0.00 49 Q 8.74 4.50 0.00 2.13 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.35 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 50 D 9.68 4.20 0.00 2.84 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 51 G 8.33 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 52 E 7.70 4.43 0.00 2.26 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 2.25 2.26 0.00 53 V 8.33 4.11 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 0.96 0.00 0.00 54 V 8.61 4.10 2.04 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 0.77 0.00 0.00 0.88 0.00 0.00 55 K 7.69 4.66 0.00 1.48 1.16 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.38 7.81 56 R 7.81 5.06 0.00 1.49 1.70 0.00 3.12 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 57 Y 9.29 4.73 0.00 2.83 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 58 G 8.99 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.77 5.08 0.00 1.72 1.64 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.31 1.45 7.81 60 I 8.83 4.46 1.41 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 1.02 0.51 0.00 0.00 61 V 8.20 4.58 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 0.86 0.00 0.00 0.87 0.00 0.00 62 I 8.72 4.35 1.76 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.15 0.89 0.00 0.00 63 R 8.48 4.57 0.00 1.88 1.85 0.00 3.13 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 64 G 9.61 3.76 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 0.00 0.00 0.00 65 D 8.15 4.33 0.00 2.64 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 66 N 8.09 4.67 0.00 2.91 2.92 0.00 0.00 6.49 6.96 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 67 V 7.59 4.36 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 0.83 0.00 0.00 1.03 0.00 0.00 68 L 9.07 4.40 0.00 1.63 1.87 0.92 0.99 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 69 A 7.46 4.60 1.21 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 0.00 0.00 0.00 70 I 8.25 5.07 1.86 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 1.25 0.72 0.91 0.00 0.00 71 S 9.08 4.70 0.00 3.84 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.69 0.00 2.11 2.05 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 73 T 8.21 4.08 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 1.29 0.00 0.00