NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3198 8.2649 123.5802 52.5266 19.4341 176.6827 2 V 3.9593 8.4313 105.2936 62.4050 33.1712 175.3220 3 C 4.8095 7.6455 117.1217 54.0606 42.8457 171.5150 4 P 4.4715 0.0000 0.0000 62.9967 31.5521 174.8754 5 T 4.7855 7.9239 108.2981 61.3960 71.2229 174.3216 6 G 4.0375 8.6342 107.2663 43.7929 0.0000 174.5708 7 L 3.5773 8.6126 123.4237 57.3843 41.9306 176.8537 8 F 5.3819 7.9705 125.6165 55.5322 38.0598 175.3914 9 S 5.4611 8.2823 116.2818 56.4916 64.8370 173.2625 10 N 5.0005 8.0905 119.5037 51.0428 40.5072 172.0548 11 P 5.0144 0.0000 0.0000 62.5888 32.2631 175.7041 12 L 5.1296 10.0897 124.1510 53.1693 46.8574 174.9693 13 C 5.2707 9.2673 119.4420 55.9233 40.1944 172.4326 14 C 5.7732 9.0289 120.7697 53.7150 43.3266 175.3821 15 A 3.7734 8.8940 122.8991 55.1321 18.6330 177.5362 16 T 3.9283 7.1761 107.9420 62.2002 71.0771 171.6629 17 N 5.0635 8.0955 123.7896 50.8654 39.7445 172.4572 18 V 3.6198 8.6422 123.7656 64.3324 32.0335 176.0865 19 L 3.6386 9.5738 123.9908 55.2909 39.4538 173.8667 20 D 4.6620 8.9339 116.1940 55.3010 38.4836 174.8105 21 L 4.8573 8.5487 117.7387 55.2858 48.1626 176.0637 22 I 4.7760 7.8173 120.3304 59.2703 39.0102 175.5339 23 G 4.0164 8.9000 116.3444 46.0844 0.0000 172.3282 24 V 4.3407 8.9974 126.2289 61.6569 34.0073 175.2822 25 D 4.5471 8.3608 125.0706 55.5345 38.4072 174.1728 26 C 4.9083 7.7817 114.6201 56.7472 41.6478 175.1812 27 K 4.8376 9.0264 121.5097 54.7456 35.9525 175.5934 28 T 4.4851 8.5130 117.9254 60.8350 68.1954 172.6447 29 P 4.5961 0.0000 0.0000 63.5568 31.9287 176.0265 30 T 4.7200 8.6225 108.5650 61.1270 69.5462 174.2584 31 I 4.1403 7.2756 114.9191 60.6254 39.1494 172.8868 32 A 4.5843 8.5261 122.5985 50.6225 20.9803 176.0093 33 V 4.3015 8.2978 116.8059 59.7536 32.7314 175.3130 34 D 4.8578 8.6215 122.3445 52.3133 41.0116 176.1024 35 T 4.8517 7.5195 116.1697 60.8778 73.7391 174.7564 36 G 3.6548 8.6307 110.2072 47.8904 0.0000 175.7213 37 A 4.0236 8.1155 123.1423 55.2076 18.2296 179.7031 38 I 3.6911 7.7340 117.4562 64.3443 37.2813 178.1403 39 F 4.5779 8.3193 121.5265 61.6198 39.3170 176.9671 40 Q 3.6001 8.8057 119.1677 58.9209 28.9469 178.0988 41 A 3.9080 8.3612 122.1863 55.4553 18.2682 178.9470 42 H 4.1448 8.8125 116.5356 59.8358 30.1113 176.4870 43 C 4.3006 8.2636 117.9887 59.7817 38.2029 175.7987 44 A 3.8545 7.8008 122.6647 55.0823 17.7588 179.4955 45 S 4.1728 7.8270 110.5348 60.1822 61.8678 175.6099 46 K 4.4975 8.1270 121.9092 55.2408 32.1858 176.7967 47 G 4.0063 8.4822 107.2967 46.3162 0.0000 173.4882 48 S 4.8936 7.2587 114.2518 56.3377 66.3327 173.5346 49 K 4.4190 9.0957 120.7105 54.2509 34.5479 174.2825 50 P 4.3443 0.0000 0.0000 62.0214 32.4515 174.9023 51 L 4.9603 9.3256 124.2352 52.9509 46.4993 175.2702 52 C 5.2529 9.7445 119.9974 56.1489 39.9361 172.7426 53 C 5.5881 9.0682 123.8555 55.0970 42.6780 174.9523 54 V 4.4223 8.9651 111.3324 63.2611 31.7576 176.1671 55 A 4.6582 8.3307 123.3417 49.9461 19.7313 174.5262 56 P 4.3366 0.0000 0.0000 62.8225 32.3585 175.6305 57 V 4.4501 7.8793 111.1821 60.6944 35.4946 174.2999 58 A 4.7500 8.4014 122.3026 52.0246 19.0086 177.4841 59 D 4.6096 7.7996 115.9833 54.5223 46.2780 176.5772 60 Q 3.4198 8.4734 119.0449 54.9941 28.2393 169.1713 61 A 3.9178 9.8442 119.9612 51.0696 15.3997 175.8548 62 L 3.4033 7.8510 128.1384 54.1671 38.6931 173.3360 63 L 4.8356 8.1357 125.9609 54.8596 42.7757 176.0663 64 C 5.5135 9.6989 124.5536 55.3252 42.1868 173.3581 65 Q 4.5587 8.4955 119.9943 53.9883 32.3789 173.9675 66 K 4.5026 8.6148 125.2385 56.3561 33.4088 176.5878 67 A 4.1534 8.2068 127.2909 51.8881 19.0790 178.4041 68 I 3.9699 8.4761 115.6990 60.6772 35.2715 175.1655 69 G 4.0840 7.5615 114.5603 45.4530 0.0000 171.4798 70 T 4.3850 8.2349 115.4934 61.2850 69.3141 174.6307 71 F 4.9860 8.7344 118.6972 57.1104 39.3249 175.5237 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 1 A 8.26 4.32 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 2 V 8.43 3.96 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 0.79 0.00 0.00 0.62 0.00 0.00 3 C 7.65 4.81 0.00 2.89 2.96 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 4 P 0.00 4.47 0.00 2.28 2.25 0.00 3.74 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.03 0.00 5 T 7.92 4.79 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 1.21 0.00 0.00 6 G 8.63 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 7 L 8.61 3.58 0.00 1.53 1.26 0.65 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 8 F 7.97 5.38 0.00 3.05 3.25 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 0.00 9 S 8.28 5.46 0.00 3.81 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 10 N 8.09 5.00 0.00 2.79 2.78 0.00 0.00 6.85 8.03 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 11 P 0.00 5.01 0.00 1.37 1.55 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.78 0.00 12 L 10.09 5.13 0.00 1.63 1.61 0.97 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 13 C 9.27 5.27 0.00 2.85 2.97 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 0.00 0.00 0.00 14 C 9.03 5.77 0.00 2.85 3.27 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 15 A 8.89 3.77 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 16 T 7.18 3.93 4.26 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 1.22 0.00 0.00 17 N 8.10 5.06 0.00 2.88 2.68 0.00 0.00 6.47 7.71 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 18 V 8.64 3.62 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 1.00 0.00 0.00 0.94 0.00 0.00 19 L 9.57 3.64 0.00 1.82 1.73 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.93 4.66 0.00 2.79 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.55 4.86 0.00 1.55 1.68 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.82 4.78 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.99 0.99 0.00 0.00 23 G 8.90 4.02 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 0.00 0.00 0.00 24 V 9.00 4.34 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 0.96 0.00 0.00 1.00 0.00 0.00 25 D 8.36 4.55 0.00 2.83 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 26 C 7.78 4.91 0.00 2.89 3.04 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 27 K 9.03 4.84 0.00 1.63 1.66 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.35 7.81 28 T 8.51 4.49 4.26 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 1.23 0.00 0.00 29 P 0.00 4.60 0.00 2.10 2.11 0.00 3.70 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.27 0.00 30 T 8.62 4.72 4.28 0.00 0.00 0.00 0.00 0.00 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 31 I 7.28 4.14 1.79 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.33 0.84 0.00 0.00 32 A 8.53 4.58 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 33 V 8.30 4.30 1.84 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 0.80 0.00 0.00 0.62 0.00 0.00 34 D 8.62 4.86 0.00 2.70 2.68 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 35 T 7.52 4.85 4.26 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 1.25 0.00 0.00 36 G 8.63 3.65 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 0.00 0.00 0.00 37 A 8.12 4.02 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 38 I 7.73 3.69 1.92 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 1.54 0.93 0.94 0.00 0.00 39 F 8.32 4.58 0.00 3.10 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 40 Q 8.81 3.60 0.00 1.94 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.20 2.07 0.00 41 A 8.36 3.91 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 42 H 8.81 4.14 0.00 3.12 3.67 0.00 5.96 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 43 C 8.26 4.30 0.00 2.92 3.01 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 44 A 7.80 3.85 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 45 S 7.83 4.17 0.00 4.07 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 46 K 8.13 4.50 0.00 1.89 1.79 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.32 1.33 7.81 47 G 8.48 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 0.00 0.00 0.00 48 S 7.26 4.89 0.00 3.78 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.10 4.42 0.00 1.59 1.52 0.00 1.75 0.00 0.00 1.99 0.00 0.00 3.38 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.38 7.81 50 P 0.00 4.34 0.00 0.81 1.03 0.00 3.15 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.51 0.00 51 L 9.33 4.96 0.00 1.58 1.69 0.95 0.71 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 52 C 9.74 5.25 0.00 2.87 3.14 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 0.00 0.00 0.00 0.00 53 C 9.07 5.59 0.00 2.91 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 54 V 8.97 4.42 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 0.50 0.00 0.00 0.94 0.00 0.00 55 A 8.33 4.66 1.30 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 0.00 0.00 56 P 0.00 4.34 0.00 2.05 2.05 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 57 V 7.88 4.45 2.16 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 0.65 0.00 0.00 0.91 0.00 0.00 58 A 8.40 4.75 1.25 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 0.00 0.00 0.00 59 D 7.80 4.61 0.00 2.62 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 60 Q 8.47 3.42 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 61 A 9.84 3.92 1.40 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 0.00 0.00 0.00 62 L 7.85 3.40 0.00 1.91 1.78 0.96 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.14 4.84 0.00 1.80 1.59 1.06 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 64 C 9.70 5.51 0.00 3.13 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 65 Q 8.50 4.56 0.00 0.93 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.01 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 66 K 8.61 4.50 0.00 1.81 1.82 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.45 7.81 67 A 8.21 4.15 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.48 3.97 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 1.38 0.66 0.92 0.00 0.00 69 G 7.56 4.08 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 0.00 70 T 8.23 4.38 4.29 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 1.24 0.00 0.00 71 F 8.73 4.99 0.00 2.94 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