NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3328 8.2644 123.5830 51.8600 19.5305 175.9438 3 K 4.3304 8.4122 123.6013 54.2084 35.0706 173.1527 4 H 4.4014 10.4107 127.4646 55.8421 31.6735 173.5209 5 P 3.7984 0.0000 0.0000 62.0581 27.7650 175.4715 6 V 3.8767 8.0364 116.4876 60.2155 32.3348 175.0479 7 P 4.3791 0.0000 0.0000 65.8770 32.5095 179.7458 8 K 3.6637 8.7431 116.3414 56.1796 31.1563 177.8775 9 K 4.0363 9.2489 119.6954 57.6839 33.5093 176.7030 10 K 4.7325 8.3058 120.1587 55.1056 35.5430 176.7777 11 T 4.7796 7.7968 106.9821 60.8440 69.6503 173.6522 12 S 4.7975 7.5466 132.1000 58.0800 61.8142 178.5578 13 K 4.1030 8.6041 121.0484 56.9745 31.6834 172.4999 14 S 4.0100 8.1377 113.0263 59.3108 61.2710 173.7434 15 K 4.2144 7.3300 122.6555 57.1969 34.4259 177.9201 16 R 3.9277 8.7498 120.6064 57.4868 28.7693 176.1067 17 D 4.7607 7.6903 112.4345 56.2161 43.5230 176.8232 18 M 4.6743 7.7234 117.8698 54.4201 30.2730 176.9997 19 R 4.6274 7.4890 111.9731 56.1719 34.8740 176.0986 20 R 4.6620 7.1517 116.5919 53.4020 29.5004 173.4633 21 S 4.5688 7.5582 113.2643 59.2598 68.7222 174.9417 22 H 4.5788 8.3649 117.8382 56.2685 28.9701 173.9174 23 H 4.7677 7.5527 116.6640 53.7115 37.4722 174.2668 24 A 3.6921 7.4770 123.2069 51.0650 18.5286 176.7249 25 L 4.3068 7.0934 110.7072 53.7018 45.2676 175.4370 26 T 3.8708 8.6985 121.4449 64.1027 68.6527 170.2260 27 A 3.8862 7.5943 132.5756 50.9380 20.5297 174.1720 28 P 4.7414 0.0000 0.0000 61.7138 31.0394 176.0025 29 N 4.0540 9.1900 111.7032 53.6198 35.5361 171.1019 30 L 4.5301 7.7335 117.4691 54.8049 44.7003 177.0168 31 T 4.6822 7.4727 114.0161 62.1631 72.2831 174.5167 32 E 4.5953 7.7738 119.3384 55.4973 30.2580 172.6800 33 C 4.0770 7.9436 121.6090 58.1605 28.6288 172.0848 34 P 4.4190 0.0000 0.0000 65.5078 30.5878 176.7226 35 Q 4.4414 7.1662 112.7940 57.1604 31.8732 175.5683 36 C 4.3598 8.0097 119.0390 61.0848 31.0292 175.6396 37 H 3.6462 9.0141 123.1371 56.3295 29.6084 177.8444 38 G 5.0183 5.3800 118.7679 45.4696 0.0000 171.6440 39 K 4.3622 8.1484 124.5800 54.5380 33.5387 177.6105 40 K 4.2918 9.4469 130.0542 55.7903 33.2030 176.2439 41 L 3.5042 7.5905 116.5052 54.6071 40.5949 174.4660 42 S 4.3375 8.3726 111.1465 58.8975 60.6161 173.7197 43 H 4.1051 8.7658 125.9758 56.0595 25.6769 175.2577 44 H 4.7166 9.0559 119.0155 55.5416 32.4369 172.1809 45 I 3.5161 8.6351 126.5596 61.0580 39.3757 174.3350 46 C 3.2359 7.7011 113.7432 57.7908 29.4104 172.5419 47 P 4.4935 0.0000 0.0000 62.9483 30.8106 173.9308 48 N 4.4009 8.5820 118.1488 54.7788 36.9856 176.2729 49 C 3.8677 9.1270 126.1783 60.6645 29.4047 173.3977 50 G 3.9392 7.4667 107.3406 44.5633 0.0000 173.0831 51 Y 4.9443 7.1107 113.1447 55.8899 40.6513 174.2173 52 Y 4.4861 8.6989 119.7873 59.0145 38.8781 175.0743 53 D 4.3741 7.0945 122.8287 54.2547 44.4969 175.8236 54 G 3.7571 7.2414 106.0356 44.1595 0.0000 172.0186 55 R 3.4732 6.8132 117.9680 54.4883 30.3154 175.0880 56 Q 4.4764 9.0829 125.4902 56.1892 31.9237 173.6730 57 V 3.3584 8.2803 119.0876 65.6724 31.5375 171.2628 58 L 4.2548 8.3382 113.4914 54.3571 44.6805 174.8530 59 A 4.1602 9.0700 127.6624 52.8651 18.1405 177.0609 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 4.33 1.28 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 0.00 0.00 0.00 3 K 8.41 4.33 0.00 1.73 1.64 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.56 7.81 4 H 10.41 4.40 0.00 3.11 3.21 0.00 5.99 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 3.80 0.00 2.01 2.13 0.00 3.02 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.03 0.00 6 V 8.04 3.88 2.08 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 0.72 0.00 0.00 0.92 0.00 0.00 7 P 0.00 4.38 0.00 2.17 2.19 0.00 3.91 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 8 K 8.74 3.66 0.00 1.88 1.48 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.39 7.81 9 K 9.25 4.04 0.00 1.86 1.82 0.00 1.51 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.46 7.81 10 K 8.31 4.73 0.00 1.72 1.77 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.55 7.81 11 T 7.80 4.78 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 1.21 0.00 0.00 12 S 7.55 4.80 0.00 3.85 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 13 K 8.60 4.10 0.00 1.75 1.75 0.00 1.94 0.00 0.00 1.90 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.41 7.81 14 S 8.14 4.01 0.00 4.08 3.92 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 15 K 7.33 4.21 0.00 1.75 1.72 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.49 1.36 7.81 16 R 8.75 3.93 0.00 2.02 2.00 0.00 3.28 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 17 D 7.69 4.76 0.00 2.77 2.62 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 18 M 7.72 4.67 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.62 0.00 19 R 7.49 4.63 0.00 1.75 1.89 0.00 3.31 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 20 R 7.15 4.66 0.00 1.78 1.81 0.00 3.30 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 21 S 7.56 4.57 0.00 3.81 3.80 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 22 H 8.36 4.58 0.00 3.18 3.27 0.00 5.81 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 7.55 4.77 0.00 3.08 3.15 0.00 6.13 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 24 A 7.48 3.69 1.26 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 0.00 0.00 25 L 7.09 4.31 0.00 1.55 1.42 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.70 3.87 4.23 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 1.20 0.00 0.00 27 A 7.59 3.89 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.74 0.00 2.13 1.17 0.00 3.90 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.89 0.00 29 N 9.19 4.05 0.00 2.86 2.87 0.00 0.00 6.69 7.78 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 30 L 7.73 4.53 0.00 1.65 1.61 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.47 4.68 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 32 E 7.77 4.60 0.00 2.00 1.80 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 2.27 2.36 0.00 33 C 7.94 4.08 0.00 3.15 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 34 P 0.00 4.42 0.00 2.24 2.44 0.00 3.61 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 2.29 2.23 0.00 35 Q 7.17 4.44 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.00 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 36 C 8.01 4.36 0.00 2.84 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 37 H 9.01 3.65 0.00 3.13 2.66 0.00 6.07 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 38 G 5.38 5.02 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 39 K 8.15 4.36 0.00 1.66 1.52 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.21 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.46 7.81 40 K 9.45 4.29 0.00 2.08 1.96 0.00 1.89 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.48 7.81 41 L 7.59 3.50 0.00 1.87 1.73 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.37 4.34 0.00 3.81 3.78 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 0.00 0.00 0.00 43 H 8.77 4.11 0.00 3.34 3.37 0.00 5.76 0.00 0.00 0.00 0.00 8.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 H 9.06 4.72 0.00 3.03 3.17 0.00 5.79 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.64 3.52 1.83 0.00 0.00 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 1.58 0.74 0.98 0.00 0.00 46 C 7.70 3.24 0.00 2.95 2.40 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 47 P 0.00 4.49 0.00 2.10 2.37 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.91 0.00 48 N 8.58 4.40 0.00 2.67 2.42 0.00 0.00 7.14 7.66 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 49 C 9.13 3.87 0.00 2.45 1.68 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 50 G 7.47 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 51 Y 7.11 4.94 0.00 2.97 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 52 Y 8.70 4.49 0.00 3.09 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 D 7.09 4.37 0.00 1.81 2.24 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 54 G 7.24 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 55 R 6.81 3.47 0.00 1.77 1.77 0.00 3.32 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 56 Q 9.08 4.48 0.00 2.44 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 5.56 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 57 V 8.28 3.36 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 0.80 0.00 0.00 0.97 0.00 0.00 58 L 8.34 4.25 0.00 1.60 1.48 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 59 A 9.07 4.16 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