NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1553 8.2649 123.5823 52.6489 19.4875 175.6431 3 K 3.5052 7.6305 123.7110 53.7552 32.0450 173.5157 4 D 4.1760 8.1611 114.9516 52.4341 41.9650 173.5900 5 G 2.9498 9.6432 109.6309 43.9335 0.0000 170.2470 6 P 4.1474 0.0000 0.0000 61.9896 29.6149 175.2738 7 R 4.5759 7.5136 122.4893 55.1527 37.1008 175.2105 8 I 4.3827 7.2866 118.4745 59.4237 41.5986 173.1454 9 I 3.4468 8.2842 125.8854 60.1452 38.3503 172.6653 10 V 4.5750 8.0666 123.0390 59.9428 34.4940 175.4812 11 K 4.6904 8.3765 118.2619 56.1466 32.6099 175.7142 12 M 4.6956 7.5420 117.2245 54.3392 35.4297 176.8057 13 E 4.6275 8.6034 118.2224 56.4629 30.2153 175.0629 14 S 4.2704 8.2233 113.9465 58.5247 62.9025 171.9904 15 S 4.4923 7.8168 110.2074 58.2315 64.3283 175.8578 16 A 4.5407 8.2386 127.8319 49.4551 21.5694 175.5296 17 G 3.4717 8.4332 112.6769 46.6733 0.0000 174.3316 18 T 3.2341 8.5802 111.7612 62.1438 68.8309 172.4475 19 G 3.4043 6.9143 110.5109 43.3275 0.0000 173.6026 20 F 4.1957 5.4600 116.6812 58.0959 38.8645 174.5413 21 Y 5.2991 7.7465 117.3490 57.8956 41.7451 174.3075 22 Y 4.3504 8.9166 121.1374 58.4623 38.7692 177.7888 23 T 3.8068 8.2145 117.6798 63.2208 67.6383 172.1727 24 T 4.2961 8.5559 112.9794 61.5869 66.4210 171.2574 25 T 4.8211 7.4153 105.6046 59.3111 72.2748 173.0201 26 K 4.7206 7.8175 120.6361 56.7262 35.0977 173.0869 27 N 4.3543 7.5660 122.1917 52.1035 43.8760 174.6332 28 R 4.6128 6.4133 120.0711 55.4560 34.5365 175.2313 29 R 4.1128 8.4264 118.3960 57.3546 29.6401 177.6842 30 N 4.3716 8.1872 117.5709 56.7168 38.4972 176.0118 31 T 4.2013 7.5269 105.4563 60.5325 69.9142 173.6037 32 Q 3.9976 8.4319 120.1636 56.4931 29.1065 176.6600 33 A 4.5268 8.1786 122.2316 51.3376 20.5950 174.5810 34 K 3.9324 8.0600 117.8725 57.1703 30.8853 176.4925 35 L 4.0953 7.7268 123.4508 56.0262 43.3119 177.0373 36 E 4.9698 7.8862 117.8672 55.6099 30.9852 175.2665 37 L 4.3033 7.9547 121.6230 54.6053 43.3604 177.5266 38 K 4.4216 7.7806 121.6099 56.7972 35.6313 174.2013 39 K 4.2217 8.4471 125.6575 57.2428 36.0990 172.8244 40 Y 3.7769 8.9655 124.3729 56.0588 39.4038 168.4222 41 D 4.4594 8.2586 124.5084 54.2796 42.9445 174.5858 42 P 5.1586 0.0000 0.0000 62.7126 30.9812 176.4792 43 V 3.7479 8.7748 108.1581 62.6496 32.3984 175.5063 44 A 4.2912 7.4354 125.0949 50.3823 24.8009 179.2907 45 K 3.7622 9.7467 120.8055 59.3309 29.9927 174.8687 46 K 4.4419 8.2240 119.6078 57.4643 36.1789 176.0851 47 H 4.7516 8.0159 115.9043 55.2662 35.8522 175.2777 48 V 3.2410 7.7867 119.1222 60.1594 32.7491 172.5266 49 V 3.0100 8.5347 115.4481 64.6762 30.0203 173.4941 50 F 4.3976 9.0470 126.5700 57.1524 38.0343 175.3264 51 R 4.5804 8.4755 120.3963 55.0959 35.0379 173.2405 52 E 3.7596 8.1324 123.4957 55.8220 29.1655 172.4184 53 K 4.2451 7.5064 124.6515 55.5374 39.6276 174.9374 54 K 4.1739 7.9341 125.6362 56.4241 32.2009 176.2838 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 4.16 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 7.63 3.51 0.00 1.97 1.81 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.49 7.81 4 D 8.16 4.18 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.64 2.95 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 6 P 0.00 4.15 0.00 2.06 2.06 0.00 3.69 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 7 R 7.51 4.58 0.00 1.73 1.77 0.00 3.23 0.00 0.00 3.15 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 8 I 7.29 4.38 1.87 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 1.30 1.07 0.91 0.00 0.00 9 I 8.28 3.45 1.87 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 1.47 0.81 0.91 0.00 0.00 10 V 8.07 4.57 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 0.89 0.00 0.00 0.93 0.00 0.00 11 K 8.38 4.69 0.00 1.71 1.79 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.49 7.81 12 M 7.54 4.70 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 13 E 8.60 4.63 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.53 0.00 14 S 8.22 4.27 0.00 4.30 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 15 S 7.82 4.49 0.00 3.83 3.77 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 16 A 8.24 4.54 -0.17 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 0.00 0.00 17 G 8.43 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.58 3.23 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 1.17 0.00 0.00 19 G 6.91 3.40 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 0.00 20 F 5.46 4.20 0.00 3.01 3.18 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 0.00 0.00 0.00 0.00 21 Y 7.75 5.30 0.00 2.97 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.92 4.35 0.00 3.07 3.09 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 23 T 8.21 3.81 4.31 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 1.16 0.00 0.00 24 T 8.56 4.30 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 1.16 0.00 0.00 25 T 7.42 4.82 4.20 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 1.23 0.00 0.00 26 K 7.82 4.72 0.00 1.68 1.74 0.00 1.97 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.53 1.65 7.81 27 N 7.57 4.35 0.00 2.72 2.60 0.00 0.00 5.70 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 28 R 6.41 4.61 0.00 1.91 2.15 0.00 3.14 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.38 0.00 29 R 8.43 4.11 0.00 1.84 1.94 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 1.64 1.66 0.00 30 N 8.19 4.37 0.00 2.69 2.88 0.00 0.00 6.90 7.01 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 31 T 7.53 4.20 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 32 Q 8.43 4.00 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 33 A 8.18 4.53 1.23 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 0.00 0.00 34 K 8.06 3.93 0.00 1.91 1.81 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.47 7.81 35 L 7.73 4.10 0.00 1.60 1.58 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 36 E 7.89 4.97 0.00 1.90 1.79 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 2.07 2.14 0.00 37 L 7.95 4.30 0.00 1.66 1.60 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.78 4.42 0.00 1.74 1.59 0.00 1.80 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.74 7.81 39 K 8.45 4.22 0.00 1.79 1.27 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.73 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.17 1.30 7.81 40 Y 8.97 3.78 0.00 2.94 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 41 D 8.26 4.46 0.00 2.41 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 0.00 0.00 0.00 0.00 42 P 0.00 5.16 0.00 2.10 1.15 0.00 3.91 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.88 0.00 43 V 8.77 3.75 2.03 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 0.53 0.00 0.00 0.79 0.00 0.00 44 A 7.44 4.29 0.95 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 45 K 9.75 3.76 0.00 1.83 1.62 0.00 1.56 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.48 7.81 46 K 8.22 4.44 0.00 1.67 1.63 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.35 7.81 47 H 8.02 4.75 0.00 3.12 3.30 0.00 5.85 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.79 3.24 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 0.33 0.00 0.00 0.77 0.00 0.00 49 V 8.53 3.01 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 0.77 0.00 0.00 0.87 0.00 0.00 50 F 9.05 4.40 0.00 3.30 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 51 R 8.48 4.58 0.00 1.75 1.91 0.00 3.35 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 52 E 8.13 3.76 0.00 2.38 1.94 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 2.32 2.36 0.00 53 K 7.51 4.25 0.00 1.61 1.60 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.23 1.39 7.81 54 K 7.93 4.17 0.00 1.75 1.65 0.00 1.95 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.38 7.81