NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 D 4.5058 8.3649 120.5306 54.7941 41.5737 174.6423 17 R 3.4712 8.4590 121.1891 55.2061 26.8220 172.8081 18 S 4.6259 8.8451 116.4688 57.2024 66.3873 174.2196 19 L 4.7752 7.9707 123.6248 54.5406 41.7012 180.2530 20 R 4.7231 8.0641 114.6785 55.6929 29.6140 173.6668 21 P 4.5347 0.0000 0.0000 64.6866 32.1240 178.5790 22 E 4.2450 8.1733 120.1632 59.3732 29.6370 178.4333 23 E 4.0582 8.1374 118.0668 59.3447 29.5021 179.2137 24 I 3.8403 7.8065 119.6329 64.3163 37.2210 177.9001 25 E 3.9584 8.1501 119.6807 59.2846 29.5691 178.4475 26 E 4.0111 8.1999 118.9193 59.1466 29.5411 178.5605 27 L 4.2684 8.8023 119.4188 58.0283 41.8490 179.1097 28 R 3.4921 8.4788 118.6408 59.7694 29.5043 178.2770 29 E 3.9844 8.1947 117.2782 59.2351 29.5112 179.2705 30 A 3.9886 8.2218 120.8817 55.1941 18.3165 179.4715 31 F 3.3002 9.2176 118.9403 60.7832 39.5548 177.1751 32 R 4.2733 7.9836 117.5720 58.7211 30.1914 178.2362 33 E 4.2489 8.9744 118.9960 58.8655 29.7827 177.7705 34 F 4.5337 8.0947 115.2679 58.0134 39.9430 175.7320 35 D 4.9526 8.1822 121.4366 53.2404 41.4349 177.8961 36 K 3.8137 8.0087 119.3068 59.1608 33.0809 178.2793 37 D 4.3107 7.2484 118.7472 54.3481 39.5376 175.7190 38 K 3.7083 7.7403 119.1172 57.8568 30.1514 175.1403 39 D 4.6933 8.5721 117.8671 53.5502 43.2611 176.9084 40 G 3.6024 9.2749 105.6381 45.3559 0.0000 172.4455 41 Y 5.5725 7.6141 115.2088 56.3935 42.2211 174.2616 42 I 4.5565 8.5390 115.6369 59.1205 41.2121 174.2079 43 N 5.1923 8.5186 121.2460 52.0663 40.0383 176.2445 44 C 4.0085 9.0132 117.0237 60.9280 29.5770 176.3058 45 R 3.9437 8.2244 120.5512 59.5525 29.2856 178.1758 46 D 4.3100 8.1907 117.9893 58.1106 40.6508 178.1534 47 L 3.9802 8.3992 117.1514 58.2426 41.4670 179.5024 48 G 4.0679 8.1270 104.4189 48.4867 0.0000 175.0172 49 N 4.5801 7.9085 118.0665 55.6864 38.7978 177.0597 50 C 3.7386 9.5185 120.8623 62.0525 31.6176 175.5362 51 M 4.0018 10.1242 120.2328 58.2138 31.5253 178.7310 52 R 3.9854 7.8453 119.0246 59.7325 30.2010 178.2596 53 T 4.2239 7.6500 112.4464 65.2705 68.5953 175.8443 54 M 4.3575 7.7560 120.4126 57.6899 32.6371 176.8019 55 G 4.0969 8.0437 101.8562 44.6158 0.0000 171.7902 56 Y 3.7285 7.7736 118.6184 58.1161 36.9376 168.1435 57 M 4.3840 7.4956 117.4741 55.6126 39.2051 172.9380 58 P 4.5195 0.0000 0.0000 62.1975 32.7835 174.9252 59 T 4.4393 7.9011 110.0841 61.6243 70.2848 174.9118 60 E 4.7228 8.2852 125.2437 56.1159 30.3859 176.4727 61 M 4.4361 7.7561 112.7933 53.8754 34.9749 175.5241 62 E 4.2235 8.9307 121.9507 58.7418 30.2222 177.7224 63 L 4.0547 7.9181 119.0545 58.5937 40.1256 179.2829 64 I 3.6494 7.7144 120.6207 64.6216 37.2516 177.7220 65 E 4.0050 8.0511 119.2515 59.4609 29.0662 179.8367 66 L 3.9668 7.7181 118.6919 57.8048 41.7696 179.3024 67 S 4.3015 7.8520 111.9171 60.6818 62.9961 175.8371 68 Q 4.1899 7.9074 122.4100 58.6862 28.7914 177.6341 69 Q 3.9189 8.0321 120.5919 59.1229 28.9426 178.0163 70 I 3.7417 7.6128 119.9848 64.1593 37.6886 177.0102 71 N 4.3931 8.1035 116.5982 55.3964 36.9323 175.2913 72 M 4.4343 8.1160 119.8774 55.8222 31.2231 176.1368 73 N 4.9660 7.5149 115.8639 54.3461 45.7066 176.1392 74 L 3.9977 7.2506 123.4454 53.4168 43.2102 175.5703 75 G 2.9551 9.2146 112.6974 45.5245 0.0000 173.3199 76 G 3.9240 9.2472 100.5759 45.4601 0.0000 172.4284 77 H 5.0037 8.0816 116.4573 54.2478 32.6041 173.3739 78 V 4.6276 8.6694 123.2512 60.0095 34.1657 174.7815 79 D 5.4957 8.7493 122.6056 52.8623 43.2722 176.6725 80 F 3.8126 8.4032 123.6621 61.0298 38.8615 177.3384 81 D 4.2010 7.9322 117.9488 57.5620 40.9738 177.9110 82 D 4.2982 8.0740 118.0620 57.0543 41.1901 177.4547 83 F 4.2419 8.7750 121.8146 61.7741 39.2827 177.4892 84 V 3.3120 7.4457 117.1952 65.5472 31.0544 177.2928 85 E 4.0409 8.1181 117.8917 57.9990 29.5850 177.6674 86 L 4.3227 8.0779 117.6978 56.0505 42.3468 177.2944 87 M 4.2822 7.2935 116.3860 56.0008 32.6133 177.4675 88 G 3.6945 7.5807 104.6880 48.0660 0.0000 172.6579 89 P 4.2740 0.0000 0.0000 63.3698 32.0437 175.6385 90 K 4.4558 7.5760 118.3312 55.2498 33.7433 177.0425 91 L 4.2182 8.1519 122.4609 55.0845 42.6869 175.9939 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 16 D 8.36 4.51 0.00 2.68 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.46 3.47 0.00 1.98 1.92 0.00 3.19 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 18 S 8.85 4.63 0.00 3.97 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.97 4.78 0.00 1.63 1.18 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.06 4.72 0.00 1.97 2.00 0.00 3.01 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 21 P 0.00 4.53 0.00 2.19 2.21 0.00 3.50 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 1.99 2.11 0.00 22 E 8.17 4.24 0.00 2.05 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 0.00 2.31 2.49 0.00 23 E 8.14 4.06 0.00 1.97 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 2.40 2.33 0.00 24 I 7.81 3.84 1.95 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 1.70 1.11 1.10 0.00 0.00 25 E 8.15 3.96 0.00 2.08 1.97 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 0.00 2.32 2.32 0.00 26 E 8.20 4.01 0.00 2.11 1.98 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 2.42 2.44 0.00 27 L 8.80 4.27 0.00 2.26 2.21 0.86 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.48 3.49 0.00 1.87 1.96 0.00 2.94 0.00 0.00 2.90 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.82 0.00 29 E 8.19 3.98 0.00 2.29 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 2.35 2.39 0.00 30 A 8.22 3.99 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.22 3.30 0.00 2.42 2.97 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 0.00 0.00 0.00 0.00 32 R 7.98 4.27 0.00 2.15 1.97 0.00 3.41 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 33 E 8.97 4.25 0.00 1.90 2.23 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 2.51 2.62 0.00 34 F 8.09 4.53 0.00 2.98 2.99 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 35 D 8.18 4.95 0.00 2.32 2.56 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 36 K 8.01 3.81 0.00 2.02 2.07 0.00 1.46 0.00 0.00 1.86 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.48 7.81 37 D 7.25 4.31 0.00 2.62 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.74 3.71 0.00 1.96 1.95 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.35 7.81 39 D 8.57 4.69 0.00 2.78 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 40 G 9.27 3.60 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 0.00 0.00 0.00 41 Y 7.61 5.57 0.00 3.20 2.99 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 42 I 8.54 4.56 1.71 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.82 0.23 0.00 0.00 43 N 8.52 5.19 0.00 2.84 2.74 0.00 0.00 6.86 8.84 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 44 C 9.01 4.01 0.00 3.13 3.25 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 0.00 45 R 8.22 3.94 0.00 1.89 2.02 0.00 3.14 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 46 D 8.19 4.31 0.00 2.86 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 47 L 8.40 3.98 0.00 1.82 1.74 1.12 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.13 4.07 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 0.00 0.00 0.00 49 N 7.91 4.58 0.00 3.12 3.01 0.00 0.00 6.70 7.57 0.00 0.00 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 9.52 3.74 0.00 3.27 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 M 10.12 4.00 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.74 0.00 52 R 7.85 3.99 0.00 2.01 2.01 0.00 3.41 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.86 0.00 53 T 7.65 4.22 4.60 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 1.31 0.00 0.00 54 M 7.76 4.36 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.67 0.00 55 G 8.04 4.10 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 0.00 0.00 0.00 56 Y 7.77 3.73 0.00 3.08 2.99 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 57 M 7.50 4.38 0.00 1.83 1.85 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 58 P 0.00 4.52 0.00 2.04 1.96 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 59 T 7.90 4.44 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 1.18 0.00 0.00 60 E 8.29 4.72 0.00 1.91 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 2.19 2.27 0.00 61 M 7.76 4.44 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 62 E 8.93 4.22 0.00 1.97 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 2.25 2.43 0.00 63 L 7.92 4.05 0.00 1.94 1.91 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 64 I 7.71 3.65 1.97 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 1.65 0.97 0.92 0.00 0.00 65 E 8.05 4.01 0.00 2.28 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 2.52 2.51 0.00 66 L 7.72 3.97 0.00 1.90 1.70 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 67 S 7.85 4.30 0.00 4.07 4.14 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 68 Q 7.91 4.19 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 69 Q 8.03 3.92 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.71 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 70 I 7.61 3.74 1.96 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.24 0.96 0.00 0.00 71 N 8.10 4.39 0.00 2.91 3.12 0.00 0.00 7.24 8.45 0.00 0.00 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 M 8.12 4.43 0.00 1.98 2.27 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.68 0.00 73 N 7.51 4.97 0.00 2.77 2.63 0.00 0.00 6.93 7.46 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 74 L 7.25 4.00 0.00 1.64 1.53 1.01 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 75 G 9.21 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 0.00 0.00 0.00 76 G 9.25 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 0.00 0.00 0.00 77 H 8.08 5.00 0.00 2.95 3.16 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.67 4.63 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 0.85 0.00 0.00 1.31 0.00 0.00 79 D 8.75 5.50 0.00 3.10 2.68 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 80 F 8.40 3.81 0.00 2.24 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 81 D 7.93 4.20 0.00 2.84 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.07 4.30 0.00 2.79 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 83 F 8.78 4.24 0.00 3.32 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 84 V 7.45 3.31 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 0.81 0.00 0.00 0.38 0.00 0.00 85 E 8.12 4.04 0.00 2.16 2.16 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 2.29 2.47 0.00 86 L 8.08 4.32 0.00 1.72 1.66 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 87 M 7.29 4.28 0.00 1.63 1.70 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 2.34 2.53 0.00 88 G 7.58 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.27 0.00 2.02 1.97 0.00 3.61 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 2.10 2.16 0.00 90 K 7.58 4.46 0.00 1.69 1.69 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.41 7.81 91 L 8.15 4.22 0.00 1.50 1.43 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00