NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 V 3.9627 8.0393 114.0560 61.8848 33.4071 174.7859 6 T 3.2389 8.3279 109.1955 60.9677 66.9370 169.8195 7 K 4.2264 7.6432 123.8656 56.3637 35.2709 179.1916 8 C 4.2177 8.1917 119.8432 57.0782 42.8629 170.8162 9 N 4.7412 8.0814 124.2525 53.7388 41.8081 173.2223 10 I 4.1600 7.4649 111.9064 60.1188 39.1166 175.1501 11 T 4.6301 8.0816 118.5106 60.9013 70.4320 172.6293 12 C 5.1021 8.5086 117.2577 55.4141 43.2301 172.4910 13 S 4.3832 8.0123 115.8273 58.7915 64.5340 174.9857 14 K 4.4539 7.8192 122.6810 56.2081 33.9183 176.0398 15 M 4.9645 8.1178 119.8713 53.8691 34.5757 177.9692 16 T 4.3120 8.9953 112.2417 61.9711 70.4915 171.4044 17 S 4.8797 8.1577 115.5651 56.7379 65.8837 174.3929 18 K 2.0000 7.9241 120.1187 55.8588 32.1811 176.4812 19 I 4.1669 6.6732 125.5179 58.3513 39.8601 173.6287 20 P 4.1742 0.0000 0.0000 62.9279 31.9479 177.6145 21 V 3.7856 8.7246 116.1067 64.5118 31.7127 178.2413 22 A 4.0555 8.0596 121.3053 54.8228 18.3975 178.0308 23 L 4.3831 8.3647 114.7603 55.3886 42.3639 176.3218 24 L 4.9030 7.7053 119.8160 53.9248 42.3672 176.4123 25 I 4.4926 7.9997 115.6603 60.7672 38.8781 174.6391 26 H 4.7372 7.7808 121.2125 56.2695 32.9506 171.7706 27 Y 5.5227 7.9370 119.7101 55.9408 41.4485 173.4954 28 Q 4.5575 9.0370 116.7408 55.2701 32.3647 173.2581 29 Q 5.1796 8.4415 118.0713 54.2285 31.4121 174.6303 30 N 4.7342 8.8162 118.9791 52.3338 38.7915 174.6514 31 Q 4.1094 8.5536 117.3565 55.5298 29.5788 177.5504 32 A 3.9673 8.7705 124.9095 55.4592 18.4872 179.3567 33 S 4.4768 7.9261 107.1886 59.7067 63.2980 175.8526 34 C 4.4661 8.2160 119.8537 58.7298 41.6643 174.0218 35 G 4.0210 7.8215 103.2684 43.5309 0.0000 177.5598 36 K 3.9855 8.9626 118.6503 56.5535 32.9272 176.2358 37 R 4.2418 8.3692 120.7433 56.0019 30.9074 175.3951 38 A 4.7683 8.8382 126.2462 50.1757 22.5820 174.5967 39 I 4.5811 8.6081 123.4841 60.1434 39.2135 175.3051 40 I 4.7604 9.2744 130.4032 60.0630 37.6294 174.8427 41 L 4.8889 9.0800 128.6168 54.2146 42.9378 175.7866 42 E 5.2511 9.2588 124.6179 54.4503 32.3874 175.7074 43 T 4.5315 9.1402 118.2810 61.0829 70.1619 175.8351 44 R 3.9795 8.7347 118.6102 59.4179 29.3536 178.0534 45 Q 4.1147 8.0420 115.0143 56.8117 28.9166 176.0343 46 H 4.5047 8.4351 113.9699 56.8722 26.6916 174.9160 47 R 4.1107 8.4669 119.7995 56.2336 31.0192 175.5095 48 L 5.1302 8.1941 123.1796 53.3432 43.4377 175.9255 49 F 4.9872 9.1948 121.8247 55.8468 43.2362 173.3183 50 C 5.2108 9.0148 119.8578 56.2651 42.2557 172.5014 51 A 5.1272 9.2425 125.1905 49.9976 22.8055 174.5742 52 D 4.6689 8.5209 120.4552 52.5383 41.5289 175.6714 53 P 4.0407 0.0000 0.0000 65.2175 31.5100 177.6137 54 K 4.0681 7.9034 117.2898 57.8549 32.2052 177.2205 55 E 4.3624 7.9549 120.6315 55.0147 31.3093 176.7263 56 Q 3.9670 8.7408 123.4586 59.1058 28.8942 179.5397 57 W 4.1479 8.2505 116.9001 59.6101 28.0117 178.3701 58 V 2.6568 6.4273 118.3199 65.2124 30.9710 177.7267 59 K 3.6474 7.8248 118.4793 59.6516 31.9210 178.5532 60 D 4.3735 8.6655 119.4729 57.6647 40.7474 179.1725 61 A 4.0389 8.3196 121.1638 55.3073 18.3007 179.4438 62 M 3.5287 8.1860 117.5154 58.6678 31.9045 178.4913 63 Q 4.0742 7.9627 117.8541 59.7078 28.7257 179.0078 64 H 4.1250 8.0497 117.7396 59.5572 30.0261 177.0105 65 L 4.1280 8.0607 119.5845 57.8098 41.5079 179.0654 66 D 4.5580 8.8173 118.6414 57.1231 41.9146 178.9946 67 R 4.3931 8.4794 118.4185 55.0399 27.5669 176.7867 68 Q 4.1455 7.5189 121.4786 56.5606 29.7828 175.0828 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 5 V 8.04 3.96 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 0.91 0.00 0.00 0.93 0.00 0.00 6 T 8.33 3.24 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 1.21 0.00 0.00 7 K 7.64 4.23 0.00 1.89 1.87 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.42 7.81 8 C 8.19 4.22 0.00 3.01 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 9 N 8.08 4.74 0.00 2.67 2.63 0.00 0.00 7.22 7.94 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 10 I 7.46 4.16 1.87 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 1.30 0.62 0.91 0.00 0.00 11 T 8.08 4.63 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 1.22 0.00 0.00 12 C 8.51 5.10 0.00 2.96 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 13 S 8.01 4.38 0.00 3.85 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 14 K 7.82 4.45 0.00 1.78 1.76 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.42 7.81 15 M 8.12 4.96 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 16 T 9.00 4.31 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 1.58 0.00 0.00 17 S 8.16 4.88 0.00 3.77 3.56 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 18 K 7.92 2.00 0.00 1.00 1.15 0.00 1.56 0.00 0.00 1.43 0.00 0.00 2.74 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.65 0.51 7.81 19 I 6.67 4.17 1.81 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.45 0.76 0.00 0.00 20 P 0.00 4.17 0.00 2.13 1.95 0.00 3.49 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 2.04 2.02 0.00 21 V 8.72 3.79 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 0.90 0.00 0.00 0.84 0.00 0.00 22 A 8.06 4.06 1.29 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 0.00 0.00 23 L 8.36 4.38 0.00 1.77 1.75 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.71 4.90 0.00 1.78 1.71 1.08 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 25 I 8.00 4.49 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.69 0.96 0.00 0.00 26 H 7.78 4.74 0.00 3.21 3.14 0.00 5.82 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.94 5.52 0.00 2.87 2.79 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 0.00 0.00 0.00 28 Q 9.04 4.56 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 29 Q 8.44 5.18 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.05 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 30 N 8.82 4.73 0.00 2.72 2.91 0.00 0.00 6.97 6.97 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 31 Q 8.55 4.11 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 32 A 8.77 3.97 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 33 S 7.93 4.48 0.00 3.99 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 34 C 8.22 4.47 0.00 3.11 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 35 G 7.82 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 36 K 8.96 3.99 0.00 1.87 1.84 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.44 7.81 37 R 8.37 4.24 0.00 1.78 1.85 0.00 3.14 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 38 A 8.84 4.77 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 39 I 8.61 4.58 1.84 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 1.11 0.61 0.81 0.00 0.00 40 I 9.27 4.76 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.10 0.95 0.00 0.00 41 L 9.08 4.89 0.00 1.83 1.76 1.13 0.65 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 42 E 9.26 5.25 0.00 2.05 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 0.00 2.18 2.22 0.00 43 T 9.14 4.53 4.37 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 44 R 8.73 3.98 0.00 2.00 2.17 0.00 3.10 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 45 Q 8.04 4.11 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.47 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 46 H 8.44 4.50 0.00 3.30 3.49 0.00 5.63 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.47 4.11 0.00 1.83 1.64 0.00 3.39 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 48 L 8.19 5.13 0.00 1.43 1.56 0.91 0.81 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 49 F 9.19 4.99 0.00 3.00 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 50 C 9.01 5.21 0.00 2.98 3.07 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 0.00 0.00 0.00 0.00 51 A 9.24 5.13 1.02 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 52 D 8.52 4.67 0.00 2.69 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.04 0.00 2.12 2.05 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.02 0.00 54 K 7.90 4.07 0.00 1.83 1.87 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.46 7.81 55 E 7.95 4.36 0.00 1.51 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 2.47 0.00 56 Q 8.74 3.97 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.89 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 57 W 8.25 4.15 0.00 3.56 3.31 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 58 V 6.43 2.66 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 0.48 0.00 0.00 -0.73 0.00 0.00 59 K 7.82 3.65 0.00 1.91 1.77 0.00 1.86 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.64 7.81 60 D 8.67 4.37 0.00 2.83 2.77 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 61 A 8.32 4.04 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 62 M 8.19 3.53 0.00 1.45 1.93 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.18 0.00 63 Q 7.96 4.07 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 64 H 8.05 4.12 0.00 3.14 3.39 0.00 5.95 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 65 L 8.06 4.13 0.00 2.08 1.97 1.05 1.40 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 66 D 8.82 4.56 0.00 2.82 2.78 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 67 R 8.48 4.39 0.00 1.88 1.94 0.00 3.21 0.00 0.00 3.24 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 68 Q 7.52 4.15 0.00 2.20 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.65 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00