NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.6908 8.2833 119.2016 53.4897 39.1870 174.4818 7 I 3.7659 7.9586 127.3976 62.5971 37.3005 176.2639 8 Q 3.8348 8.7781 121.5988 59.4242 29.3848 177.7178 9 D 4.2359 8.6092 120.0718 57.2807 40.6729 178.9728 10 K 3.8918 7.5537 119.0455 59.3402 32.0600 179.2565 11 A 3.5497 7.7534 120.9967 54.6533 18.1535 179.6988 12 L 3.7556 7.3845 117.5947 57.6471 41.4997 179.4124 13 E 4.1551 8.2437 118.7275 59.3546 29.4064 178.8228 14 N 4.1456 7.6699 117.0731 56.8144 38.9301 177.0146 15 F 4.5633 7.6516 118.9877 60.3211 38.7165 177.7261 16 K 4.3062 8.5611 120.2843 59.0468 32.3376 178.4635 17 A 4.1638 8.9190 122.3267 54.9006 18.3063 178.9330 18 N 4.3292 8.3450 113.8330 53.6729 39.5269 174.7550 19 Q 3.2733 7.7741 120.9575 57.0205 28.1922 173.2430 20 T 4.4236 7.5451 110.5066 60.9337 69.0873 174.6062 21 E 4.3322 8.7691 127.8865 56.6322 30.2695 176.4530 22 V 4.1908 8.1001 118.2733 59.9611 35.0152 175.1205 23 T 4.5960 8.3628 118.4303 61.8454 71.0762 173.6163 24 V 4.3062 8.9120 127.7721 61.4977 33.4131 174.3309 25 F 4.9253 8.8217 127.2609 55.9703 41.2119 175.6960 26 F 4.8434 9.4422 122.9018 56.0960 40.6104 177.1703 27 L 4.0777 8.8240 120.9706 58.0433 41.4412 178.4714 28 N 4.6231 8.2908 112.9343 53.2011 37.4694 175.7142 29 G 4.1104 8.1984 108.2064 45.2287 0.0000 174.0820 30 F 4.7279 8.5394 122.9362 58.3771 40.5278 174.0068 31 Q 4.6897 7.3472 121.0984 54.4593 31.8188 173.7865 32 M 4.4537 8.5131 120.1361 53.5294 35.9011 173.6816 33 K 4.6173 8.5826 126.8953 55.0349 34.0432 174.7682 34 G 3.9567 8.3261 118.7772 43.8595 0.0000 170.4236 35 V 4.4347 7.9208 119.4884 61.1689 34.6675 176.8860 36 I 4.1229 8.3365 128.0403 61.0108 36.0530 175.9003 37 E 4.0613 8.9155 124.3845 59.3861 29.1505 177.9574 38 E 4.9450 8.2239 117.7708 55.7363 34.7839 174.0417 39 Y 5.0440 7.5703 116.5465 56.7553 40.7845 172.7916 40 D 4.5202 8.4118 118.1117 52.8130 41.3423 175.0814 41 K 3.9939 8.8753 116.6932 60.3069 32.5487 177.8110 42 Y 4.5118 7.8869 115.3319 59.5646 38.8282 175.0641 43 V 5.1983 9.1072 112.4330 59.7606 36.8497 174.6357 44 V 4.7861 8.7361 120.4733 61.9363 35.0525 173.4480 45 S 5.0729 9.3520 123.7537 57.1079 63.8500 172.3004 46 L 4.8842 9.0915 129.5083 53.4576 45.2368 174.8645 47 N 5.0828 9.5385 125.9090 51.8085 38.7744 171.8195 48 S 4.7717 8.1977 117.5290 56.8226 65.2122 173.8971 49 Q 3.3265 9.4270 128.5731 57.2760 27.1652 172.7134 50 G 3.9536 7.9745 107.3036 45.4381 0.0000 172.9529 51 K 3.8716 8.4030 115.8433 56.1943 33.7420 175.6507 52 Q 4.8869 8.2596 120.2467 55.1887 30.7317 174.7747 53 H 4.8379 9.0910 118.7267 54.0353 32.5668 172.5046 54 L 4.7859 8.7338 125.7874 53.9367 42.3099 175.0340 55 I 4.5443 8.6690 128.2714 59.9687 39.5278 175.2225 56 Y 4.6592 8.5723 123.9861 57.2445 38.9074 177.0386 57 K 4.1685 8.7625 123.4623 59.2807 32.4071 179.1019 58 H 4.3760 8.2653 113.2345 57.6861 28.9736 176.0639 59 A 4.5131 8.1041 122.2950 53.2446 19.2944 177.1077 60 I 4.1035 7.1672 116.5178 61.0164 38.0084 175.0144 61 S 4.5869 8.7392 119.2656 59.9214 63.1908 174.0546 62 T 4.6672 7.4267 114.2667 62.2479 73.2691 171.6284 63 Y 5.0582 8.5485 121.0901 56.6664 40.3379 175.2884 64 T 4.6910 9.1598 121.1069 61.9617 71.7361 173.9050 65 V 4.5703 8.5403 118.8545 59.4254 35.3154 175.6165 66 E 4.2324 8.5174 120.9530 56.5193 29.7154 175.2757 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 6 N 8.28 4.69 0.00 2.73 2.79 0.00 0.00 7.10 6.93 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 7 I 7.96 3.77 1.84 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 1.50 0.33 0.86 0.00 0.00 8 Q 8.78 3.83 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.91 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 9 D 8.61 4.24 0.00 2.84 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 10 K 7.55 3.89 0.00 1.79 1.77 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.51 7.81 11 A 7.75 3.55 1.05 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 0.00 0.00 0.00 0.00 0.00 12 L 7.38 3.76 0.00 0.91 0.38 0.27 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.24 4.16 0.00 2.09 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 2.55 2.52 0.00 14 N 7.67 4.15 0.00 2.62 2.57 0.00 0.00 7.23 7.57 0.00 0.00 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 F 7.65 4.56 0.00 3.18 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 16 K 8.56 4.31 0.00 2.02 2.22 0.00 1.72 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.63 7.81 17 A 8.92 4.16 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 18 N 8.34 4.33 0.00 3.07 2.96 0.00 0.00 7.31 6.97 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 19 Q 7.77 3.27 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 20 T 7.55 4.42 4.32 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 1.53 0.00 0.00 21 E 8.77 4.33 0.00 1.90 1.85 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 2.37 2.27 0.00 22 V 8.10 4.19 1.75 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 -0.02 0.00 0.00 0.79 0.00 0.00 23 T 8.36 4.60 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 0.70 0.00 0.00 24 V 8.91 4.31 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 0.42 0.00 0.00 0.88 0.00 0.00 25 F 8.82 4.93 0.00 2.89 2.91 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 26 F 9.44 4.84 0.00 3.29 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.82 4.08 0.00 1.77 1.81 1.05 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.29 4.62 0.00 2.87 2.98 0.00 0.00 6.29 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 29 G 8.20 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 30 F 8.54 4.73 0.00 3.06 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 31 Q 7.35 4.69 0.00 1.33 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.46 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 32 M 8.51 4.45 0.00 2.04 1.90 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 33 K 8.58 4.62 0.00 1.62 1.58 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.70 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.23 1.29 7.81 34 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 35 V 7.92 4.43 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 0.99 0.00 0.00 0.96 0.00 0.00 36 I 8.34 4.12 1.94 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.94 1.04 0.00 0.00 37 E 8.92 4.06 0.00 1.99 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 2.39 2.46 0.00 38 E 8.22 4.95 0.00 1.85 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 2.25 2.27 0.00 39 Y 7.57 5.04 0.00 3.20 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 40 D 8.41 4.52 0.00 2.81 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.88 3.99 0.00 1.50 1.06 0.00 1.64 0.00 0.00 1.39 0.00 0.00 2.74 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.25 1.36 7.81 42 Y 7.89 4.51 0.00 3.16 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 43 V 9.11 5.20 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 0.40 0.00 0.00 1.03 0.00 0.00 44 V 8.74 4.79 2.18 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 1.09 0.00 0.00 1.05 0.00 0.00 45 S 9.35 5.07 0.00 3.94 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 46 L 9.09 4.88 0.00 1.82 1.54 0.93 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 47 N 9.54 5.08 0.00 2.85 2.71 0.00 0.00 6.37 7.49 0.00 0.00 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 S 8.20 4.77 0.00 3.97 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.43 3.33 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.08 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 50 G 7.97 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 0.00 0.00 0.00 51 K 8.40 3.87 0.00 1.79 1.72 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.52 7.81 52 Q 8.26 4.89 0.00 1.90 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 53 H 9.09 4.84 0.00 3.17 3.26 0.00 5.79 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.73 4.79 0.00 1.61 1.56 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.67 4.54 1.94 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 1.52 0.76 1.07 0.00 0.00 56 Y 8.57 4.66 0.00 2.98 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.76 4.17 0.00 1.97 1.93 0.00 1.91 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.57 1.48 7.81 58 H 8.27 4.38 0.00 3.26 3.53 0.00 5.53 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.10 4.51 1.75 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 0.00 0.00 60 I 7.17 4.10 1.77 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 0.57 0.58 0.27 0.00 0.00 61 S 8.74 4.59 0.00 3.82 4.01 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 0.00 0.00 0.00 0.00 62 T 7.43 4.67 4.19 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 1.21 0.00 0.00 63 Y 8.55 5.06 0.00 2.89 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 T 9.16 4.69 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 65 V 8.54 4.57 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 0.44 0.00 0.00 1.06 0.00 0.00 66 E 8.52 4.23 0.00 1.87 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.33 0.00