NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2931 8.2649 123.5867 52.0244 19.8663 175.3903 3 R 4.0645 8.3264 115.3107 55.4745 31.2114 174.3144 4 K 4.1441 8.9659 120.2070 59.2337 33.8276 177.3238 5 A 4.2182 8.2748 121.4029 55.5309 18.1529 181.4731 6 L 4.6943 7.7537 114.7882 54.8009 40.6869 177.2847 7 I 4.7486 8.7723 117.7794 61.3543 38.4643 176.1363 8 E 4.4826 8.2424 116.1688 55.6126 30.4674 176.0705 9 K 3.5738 8.0999 122.0296 59.9709 31.9893 178.5981 10 A 4.1971 7.7252 118.3904 52.0524 17.8447 177.2716 11 K 4.2366 8.5154 123.4524 56.4678 31.3285 177.1052 12 R 3.9816 8.5075 126.8235 58.9076 30.3490 177.6594 13 T 4.4602 6.9775 107.2361 59.2161 67.6020 172.1943 14 P 4.2526 0.0000 0.0000 65.2493 32.3721 177.2173 15 K 3.7689 7.8596 121.2923 56.5641 29.7979 175.9031 16 F 4.8754 7.8568 117.0976 55.8207 42.6825 175.1438 17 K 3.8883 9.1034 125.5298 59.2541 32.6994 178.1990 18 V 3.8092 7.9997 113.5015 64.8605 31.6176 177.7876 19 R 4.4682 8.3610 116.0802 56.4616 29.4248 176.7682 20 A 4.2106 7.7451 122.8339 51.3524 17.4437 177.5325 21 Y 4.6791 7.3023 120.0359 57.4675 38.3836 177.4846 22 T 2.9444 7.3991 118.2007 61.2531 69.8908 171.0927 23 R 3.7460 7.4599 135.0000 56.7091 28.9297 175.0966 24 C 3.7948 8.3680 123.8686 57.6869 32.5974 175.3218 25 V 3.5468 8.6956 128.2201 64.9495 30.5367 177.3035 26 R 4.1256 7.3577 120.6269 58.0867 30.5938 176.9152 27 C 4.1644 7.8291 115.5611 59.3851 30.2123 175.1310 28 G 4.3060 8.2975 106.7004 45.0179 0.0000 172.4797 29 R 3.8440 7.8368 119.8440 56.3085 29.5912 176.4781 30 A 4.0660 8.7461 128.8246 55.3092 18.7974 178.0863 31 R 4.1104 8.0015 113.8457 57.1875 31.6646 176.7194 32 S 3.9992 8.6619 110.7235 59.5442 62.4583 171.6245 33 V 4.1811 8.1506 117.7529 62.0513 31.7481 176.1185 34 Y 4.7246 9.8365 124.0724 57.7964 39.1700 176.4490 35 R 4.3953 8.5663 118.2676 58.5196 31.0755 178.9377 36 F 4.2871 8.5328 117.2798 60.1845 39.2532 175.1836 37 F 4.7826 8.4097 116.3008 56.3146 41.1483 175.9190 38 G 4.2068 8.2994 107.0409 46.2625 0.0000 172.9852 39 L 5.1069 7.4940 118.7635 52.3710 45.2143 175.8522 40 C 4.5131 8.2477 115.3707 57.0390 30.6721 174.8362 41 R 3.4450 7.9392 118.8172 59.8354 28.4924 178.3537 42 I 3.9096 7.5871 120.8265 63.5809 37.3205 177.2127 43 C 3.9273 7.9719 114.8528 62.0852 29.1984 174.9942 44 L 3.7068 7.9450 122.2377 58.4496 40.9934 178.8113 45 R 3.8920 7.8992 117.9348 59.3551 30.2446 177.9289 46 E 4.1401 8.2829 119.4446 59.0073 29.2225 178.7220 47 L 3.9836 8.2307 118.0392 57.9279 41.7977 179.4093 48 A 4.1806 7.7330 119.5699 56.0171 18.3144 179.2718 49 H 4.3640 7.6211 111.7511 58.7278 28.7661 178.0356 50 K 4.1929 7.6428 119.6347 60.0678 32.1863 177.0867 51 G 3.6209 8.6737 107.4415 45.5340 0.0000 174.7958 52 Q 4.3384 8.0667 117.3073 56.1126 28.3873 176.1553 53 L 4.7049 7.4984 119.0222 51.6558 43.1237 174.5735 54 P 4.3120 0.0000 0.0000 63.8238 31.7631 178.3820 55 G 3.9862 8.8893 110.8527 46.7272 0.0000 173.9629 56 V 3.6632 8.2505 119.1015 63.2639 29.9519 174.9237 57 R 4.4248 8.0393 127.4935 54.3706 32.2222 175.5226 58 K 4.2741 8.3087 118.3964 54.4447 31.3716 176.4050 59 A 4.2111 8.4666 126.8131 52.8276 18.7689 176.7198 60 S 4.6043 8.3438 116.0778 56.6239 65.6789 173.7832 61 W 4.2091 8.1491 122.7790 57.4181 27.2012 174.0898 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 4.29 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.33 4.06 0.00 1.92 1.94 0.00 3.21 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 4 K 8.97 4.14 0.00 1.70 1.83 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.49 7.81 5 A 8.27 4.22 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 6 L 7.75 4.69 0.00 1.71 1.82 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.77 4.75 1.94 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 1.39 0.74 0.92 0.00 0.00 8 E 8.24 4.48 0.00 2.02 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 0.00 2.16 2.68 0.00 9 K 8.10 3.57 0.00 1.11 1.63 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.90 1.02 7.81 10 A 7.73 4.20 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 11 K 8.52 4.24 0.00 2.06 1.64 0.00 1.54 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.41 7.81 12 R 8.51 3.98 0.00 1.80 1.99 0.00 3.36 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 13 T 6.98 4.46 4.17 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 1.17 0.00 0.00 14 P 0.00 4.25 0.00 2.22 2.21 0.00 3.75 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 1.95 1.94 0.00 15 K 7.86 3.77 0.00 1.50 1.37 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.30 0.83 7.81 16 F 7.86 4.88 0.00 3.13 2.88 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 17 K 9.10 3.89 0.00 1.89 2.02 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.56 7.81 18 V 8.00 3.81 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 1.00 0.00 0.00 1.12 0.00 0.00 19 R 8.36 4.47 0.00 1.92 2.12 0.00 3.34 0.00 0.00 3.38 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.96 0.00 20 A 7.75 4.21 1.32 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 0.00 0.00 0.00 21 Y 7.30 4.68 0.00 3.04 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 22 T 7.40 2.94 4.35 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 1.29 0.00 0.00 23 R 7.46 3.75 0.00 2.29 1.97 0.00 3.30 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.90 0.00 24 C 8.37 3.79 0.00 3.27 2.87 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 0.00 0.00 0.00 25 V 8.70 3.55 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 0.80 0.00 0.00 0.95 0.00 0.00 26 R 7.36 4.13 0.00 1.82 1.91 0.00 3.25 0.00 0.00 3.29 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 27 C 7.83 4.16 0.00 3.13 3.06 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 0.00 0.00 0.00 28 G 8.30 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 0.00 0.00 0.00 0.00 29 R 7.84 3.84 0.00 1.91 1.90 0.00 3.26 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 30 A 8.75 4.07 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.00 4.11 0.00 1.94 1.93 0.00 3.24 0.00 0.00 3.39 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 32 S 8.66 4.00 0.00 4.05 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 0.00 33 V 8.15 4.18 2.20 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 0.90 0.00 0.00 1.10 0.00 0.00 34 Y 9.84 4.72 0.00 2.98 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 35 R 8.57 4.40 0.00 1.94 2.03 0.00 3.35 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.58 0.00 36 F 8.53 4.29 0.00 3.13 3.30 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 37 F 8.41 4.78 0.00 3.19 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 38 G 8.30 4.21 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 0.00 39 L 7.49 5.11 0.00 1.86 1.53 1.10 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.25 4.51 0.00 3.07 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 41 R 7.94 3.45 0.00 1.91 2.09 0.00 2.70 0.00 0.00 3.13 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 42 I 7.59 3.91 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.55 0.89 0.00 0.00 43 C 7.97 3.93 0.00 3.14 3.21 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 44 L 7.94 3.71 0.00 1.53 1.46 0.60 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.90 3.89 0.00 1.99 1.88 0.00 3.16 0.00 0.00 3.13 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 46 E 8.28 4.14 0.00 2.18 1.90 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 2.31 2.39 0.00 47 L 8.23 3.98 0.00 1.70 1.77 0.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.73 4.18 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 49 H 7.62 4.36 0.00 3.40 3.35 0.00 5.67 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.64 4.19 0.00 1.90 1.89 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.48 7.81 51 G 8.67 3.62 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 0.00 0.00 0.00 52 Q 8.07 4.34 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 53 L 7.50 4.70 0.00 1.68 1.86 1.19 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.31 0.00 2.25 2.22 0.00 3.85 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 55 G 8.89 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.25 3.66 2.46 0.00 0.00 0.00 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 1.24 0.00 0.00 57 R 8.04 4.42 0.00 1.83 1.87 0.00 3.30 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 58 K 8.31 4.27 0.00 1.81 1.80 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.40 7.81 59 A 8.47 4.21 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.34 4.60 0.00 3.82 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 61 W 8.15 4.21 0.00 3.35 3.10 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 0.00 0.00 0.00 0.00