NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 P 4.4024 0.0000 0.0000 62.0279 33.4624 176.3298 7 L 4.6111 7.7433 118.4002 53.7932 42.1375 174.9194 8 K 4.5197 9.1875 122.0267 55.7263 34.3610 176.8371 9 T 4.7169 8.2556 118.6032 61.2054 69.1693 173.4227 10 Q 4.6919 8.3216 126.5923 54.9845 33.0389 172.7724 11 Q 5.1552 8.5809 123.0159 54.6090 31.7764 174.4102 12 M 4.6721 8.9128 119.9181 53.9372 34.6031 174.3440 13 Q 4.9695 8.6837 120.1768 55.0121 31.4921 174.3259 14 V 4.8649 8.4592 122.8420 61.5287 34.3982 175.2208 15 G 3.8202 8.4174 113.5793 46.2183 0.0000 174.2152 16 G 4.3800 7.4978 107.2589 45.8139 0.0000 173.9250 17 M 3.7185 7.9083 120.3307 54.6101 30.4467 175.5508 18 D 4.4454 8.1400 124.0313 54.5379 42.0596 176.0086 19 C 4.2371 8.2957 119.3426 61.5552 32.4641 175.6174 20 T 3.8768 7.6579 115.5557 66.9301 68.7484 175.2740 21 S 4.7889 8.6343 114.6305 56.8156 65.3169 171.9876 22 C 4.7853 8.5728 123.0525 59.5065 37.4950 177.0771 23 K 3.8469 7.9009 120.0765 59.9749 31.9076 178.7342 24 L 3.9338 7.9145 120.9122 58.6064 39.9799 179.4160 25 K 4.1062 7.9375 117.3093 58.9979 32.2620 178.2789 26 I 3.9404 7.6704 121.6166 63.4495 36.6824 177.8659 27 E 3.9038 8.6670 118.9761 59.7895 29.7565 179.3628 28 G 4.0769 7.8512 104.1689 46.3206 0.0000 174.2551 29 S 4.3704 8.3750 116.2754 60.4465 63.1701 176.1340 30 L 4.0263 8.0737 119.7813 58.0182 41.5667 179.1951 31 E 3.9668 8.0142 116.5959 59.4672 29.4408 179.0211 32 R 4.1675 7.8482 115.0593 57.0652 30.5324 176.5754 33 L 4.3976 7.4187 118.2704 53.8996 42.8734 175.5993 34 K 4.5897 8.2789 118.1380 55.8425 35.1677 175.9934 35 G 4.4589 9.0612 109.2524 46.3425 0.0000 174.1727 36 V 4.4923 7.4429 117.1844 60.4517 32.8732 175.5886 37 A 4.6873 8.4157 121.3426 51.4308 20.9896 175.3580 38 E 4.9412 8.1159 114.4338 54.8031 34.1183 174.4616 39 A 4.8643 7.7661 121.3903 51.7702 22.5692 175.5931 40 S 4.7407 8.5773 111.6346 58.1012 67.7754 177.4447 41 V 3.9941 9.2026 117.7910 61.3047 32.4040 176.5340 42 T 4.5729 8.3302 118.4030 61.7911 67.5958 175.0454 43 V 3.4667 7.8913 123.8020 65.9014 32.2328 177.3324 44 A 4.1691 7.8983 118.2301 53.6748 17.8206 177.8052 45 T 4.4728 7.4612 109.3952 63.0903 72.3957 173.8227 46 G 3.9464 8.2444 110.2223 46.7440 0.0000 173.2273 47 R 5.4895 8.0333 115.8257 53.2073 35.6054 176.1458 48 L 4.9796 8.3342 120.0977 53.3642 45.4862 175.4935 49 T 4.9304 8.7766 120.3552 62.2599 70.8204 174.2801 50 V 4.8392 8.7661 117.9166 59.8445 36.7228 174.5811 51 T 4.9238 8.6979 119.4001 61.9172 71.3798 172.7132 52 Y 5.1917 8.7635 124.9994 55.1410 41.4254 174.4662 53 D 5.0327 9.3293 123.0473 51.9580 42.3634 174.6730 54 P 4.7155 0.0000 0.0000 63.1958 31.5871 177.6489 55 K 4.2069 8.0790 120.8335 59.4051 31.9410 176.9718 56 Q 4.5574 7.1940 116.1843 54.8846 35.7763 174.2072 57 V 4.6070 7.5545 110.6509 59.9872 36.6573 175.2370 58 S 4.5946 8.4197 115.9546 57.5563 63.1288 175.8631 59 E 4.1959 9.4937 120.4869 59.4688 29.3929 177.4445 60 I 3.6549 7.8510 119.3272 65.1917 37.0930 177.7701 61 T 4.1899 7.4503 117.0137 66.2361 68.3166 176.0262 62 I 4.1284 7.5779 120.1595 63.1555 37.7180 177.9126 63 Q 3.9345 8.2715 120.7371 59.2015 28.4387 177.7912 64 E 3.9657 8.5806 120.0364 59.7110 29.3412 179.6290 65 R 3.9527 7.3883 115.4927 59.4468 30.5070 178.2873 66 I 3.9356 8.2936 119.8901 64.3951 37.1683 178.3752 67 A 4.0027 8.2836 122.5695 55.0594 18.3612 178.8599 68 A 4.2460 8.2024 116.1300 53.6138 18.2137 177.6768 69 L 4.6046 7.9302 114.3083 54.0545 42.8715 177.5768 70 G 3.7228 8.3293 107.1937 45.4575 0.0000 172.9226 71 Y 4.7391 7.6132 116.7815 56.7176 40.1038 174.5886 72 T 4.9321 8.5152 109.8981 60.0555 71.8978 173.1560 73 L 4.9555 8.4103 121.5763 54.4324 44.1692 176.3331 74 A 4.6188 9.0803 121.9804 50.3918 20.0522 173.1607 75 E 4.4758 8.4434 120.9661 54.7558 30.9397 174.4001 76 P 4.4548 0.0000 0.0000 63.0815 31.6771 175.9336 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 P 0.00 4.40 0.00 2.21 2.26 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 1.90 1.97 0.00 7 L 7.74 4.61 0.00 1.84 1.81 0.97 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 8 K 9.19 4.52 0.00 1.99 1.87 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.45 7.81 9 T 8.26 4.72 4.18 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 1.17 0.00 0.00 10 Q 8.32 4.69 0.00 1.91 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.23 0.00 11 Q 8.58 5.16 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.18 2.29 0.00 12 M 8.91 4.67 0.00 2.09 2.32 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.60 0.00 13 Q 8.68 4.97 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 14 V 8.46 4.86 2.05 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 0.84 0.00 0.00 0.91 0.00 0.00 15 G 8.42 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.50 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.91 3.72 0.00 1.87 1.93 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 18 D 8.14 4.45 0.00 2.74 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.30 4.24 0.00 2.96 2.84 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 0.00 0.00 0.00 0.00 20 T 7.66 3.88 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 1.21 0.00 0.00 21 S 8.63 4.79 0.00 3.77 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 22 C 8.57 4.79 0.00 3.01 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 23 K 7.90 3.85 0.00 1.99 2.04 0.00 1.30 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.62 1.44 7.81 24 L 7.91 3.93 0.00 1.88 1.97 0.92 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.94 4.11 0.00 1.86 1.94 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.53 7.81 26 I 7.67 3.94 1.96 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 1.63 1.01 0.89 0.00 0.00 27 E 8.67 3.90 0.00 2.03 1.99 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 2.31 2.24 0.00 28 G 7.85 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 29 S 8.38 4.37 0.00 3.88 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 30 L 8.07 4.03 0.00 1.87 1.74 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.01 3.97 0.00 2.08 2.01 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 2.33 2.49 0.00 32 R 7.85 4.17 0.00 1.91 1.98 0.00 3.40 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 33 L 7.42 4.40 0.00 1.80 1.65 1.02 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.28 4.59 0.00 1.69 1.70 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.45 7.81 35 G 9.06 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.44 4.49 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 0.74 0.00 0.00 1.05 0.00 0.00 37 A 8.42 4.69 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 38 E 8.12 4.94 0.00 1.87 1.77 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 2.20 2.22 0.00 39 A 7.77 4.86 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 40 S 8.58 4.74 0.00 3.68 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.20 3.99 2.04 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 0.68 0.00 0.00 0.93 0.00 0.00 42 T 8.33 4.57 4.22 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 1.19 0.00 0.00 43 V 7.89 3.47 2.05 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 0.95 0.00 0.00 0.93 0.00 0.00 44 A 7.90 4.17 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 45 T 7.46 4.47 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 46 G 8.24 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 47 R 8.03 5.49 0.00 1.83 1.79 0.00 3.06 0.00 0.00 3.35 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 48 L 8.33 4.98 0.00 1.52 1.48 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.78 4.93 4.34 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 1.18 0.00 0.00 50 V 8.77 4.84 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 0.65 0.00 0.00 0.55 0.00 0.00 51 T 8.70 4.92 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 1.25 0.00 0.00 52 Y 8.76 5.19 0.00 2.88 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 53 D 9.33 5.03 0.00 2.81 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.72 0.00 2.16 2.03 0.00 3.83 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 55 K 8.08 4.21 0.00 1.75 1.89 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.58 7.81 56 Q 7.19 4.56 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 57 V 7.55 4.61 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.97 0.00 0.00 58 S 8.42 4.59 0.00 3.44 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 59 E 9.49 4.20 0.00 2.10 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 0.00 2.46 2.79 0.00 60 I 7.85 3.65 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.76 0.91 0.00 0.00 61 T 7.45 4.19 4.30 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 1.28 0.00 0.00 62 I 7.58 4.13 1.92 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.87 0.93 0.00 0.00 63 Q 8.27 3.93 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 64 E 8.58 3.97 0.00 2.01 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 2.38 2.45 0.00 65 R 7.39 3.95 0.00 1.98 2.16 0.00 3.61 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 66 I 8.29 3.94 1.97 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 1.46 1.01 1.07 0.00 0.00 67 A 8.28 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.20 4.25 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 69 L 7.93 4.60 0.00 2.04 2.00 1.01 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.33 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 7.61 4.74 0.00 3.04 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 72 T 8.52 4.93 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 1.24 0.00 0.00 73 L 8.41 4.96 0.00 1.63 1.65 0.95 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 74 A 9.08 4.62 1.22 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 0.00 0.00 75 E 8.44 4.48 0.00 2.04 1.92 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 2.34 2.35 0.00 76 P 0.00 4.45 0.00 2.23 2.02 0.00 3.92 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.96 0.00