NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.3295 8.2549 120.8594 55.6634 32.1096 175.2744 9 V 4.3530 7.3845 109.1549 57.9838 35.6678 173.3242 10 N 4.3839 9.4233 122.5400 53.8830 40.1490 175.9865 11 V 3.8094 8.4303 117.5977 63.4838 31.7390 176.6870 12 Q 4.5909 8.8516 117.5092 55.6780 30.1779 176.0478 13 R 4.7078 7.8317 117.2347 53.0796 30.6120 174.0637 14 P 4.2658 0.0000 0.0000 66.0480 31.6539 178.5773 15 L 4.0850 7.9600 117.6025 56.9535 41.5535 178.6213 16 D 4.4667 8.3174 118.7811 56.6069 40.4283 178.2157 17 A 4.0331 7.6959 120.8973 54.8287 18.5184 179.3202 18 L 3.8514 7.8307 118.1486 57.5911 41.4936 179.6327 19 G 3.8623 7.8767 105.2074 48.0478 0.0000 175.2337 20 N 4.5152 8.1161 117.3716 55.1753 38.9675 176.5538 21 S 4.5920 7.8637 115.2290 56.9352 63.5306 173.9098 22 L 4.1574 7.0928 122.1758 56.6661 41.7955 176.7699 23 N 4.3440 9.4571 119.2685 54.1931 36.7375 173.8556 24 S 4.9005 7.7065 112.7835 55.7666 67.5884 171.7679 25 P 4.8896 0.0000 0.0000 63.0962 31.7847 176.2141 26 V 4.7605 9.1420 116.0849 59.8559 36.9454 174.1270 27 I 4.8396 9.1360 122.1752 59.7113 40.1699 174.9545 28 I 4.7793 9.2287 127.8754 59.3137 40.1341 174.2623 29 K 4.6364 8.5345 128.8300 54.6594 33.9364 175.4619 30 L 5.0635 9.0887 128.0345 52.3984 44.9143 176.0988 31 K 3.8524 8.6685 120.4747 58.4424 31.3255 177.7634 32 G 3.7476 8.8391 109.8266 45.8156 0.0000 173.5760 33 D 4.5736 7.7385 115.9249 54.6596 40.2481 173.7668 34 R 4.2381 7.2327 116.6503 55.1295 31.7563 175.0500 35 E 5.0182 7.9943 123.5858 54.3256 32.8349 174.4515 36 F 5.3637 9.2219 124.9809 55.7314 42.8734 174.3276 37 R 5.0440 8.7794 121.2357 54.6107 33.9718 175.2717 38 G 4.0071 8.1187 108.3085 46.3360 0.0000 171.4011 39 V 4.7134 8.0314 120.5269 61.3298 33.1117 175.4649 40 L 4.4384 8.8517 131.2064 55.4572 42.2824 177.1001 41 K 4.6945 8.9919 126.3518 57.7252 34.3166 176.3313 42 S 4.8040 7.7727 112.0515 58.0261 65.8500 174.1156 43 F 5.7779 8.1867 113.7827 57.3913 40.2331 172.1743 44 D 4.8651 8.4157 118.5347 50.7511 42.4377 176.3732 45 L 3.9936 8.4038 118.6532 58.9572 40.4811 177.7338 46 H 4.4684 8.3045 115.0526 56.0445 29.1248 176.0844 47 M 3.2422 8.5601 118.8761 55.8832 30.3214 176.0632 48 N 5.0446 8.0656 116.9331 53.7441 39.9608 173.8909 49 L 5.0967 8.9390 121.4142 54.6417 44.7118 174.2992 50 V 4.8853 8.6539 120.3021 61.2522 33.9840 174.3823 51 L 5.2690 8.8790 127.3606 53.2051 44.8343 175.2756 52 N 5.1241 8.9362 118.8045 51.5414 41.9463 174.1530 53 D 4.4567 8.5817 116.7813 55.3688 38.9314 174.1028 54 A 4.7508 7.9996 119.4486 51.9138 20.2748 177.6055 55 E 5.1306 9.4924 119.2701 54.5947 34.2505 174.2824 56 E 4.6578 9.2060 124.1511 54.6156 31.6784 174.5124 57 L 5.2788 8.7724 126.3322 53.1516 45.1045 175.6676 58 E 4.5873 8.9844 121.7704 56.0212 33.5414 175.2583 59 D 4.3785 9.7001 123.8223 55.4239 39.5904 173.3999 60 G 3.9595 8.4900 100.2608 45.9987 0.0000 173.0525 61 E 4.5273 7.7683 118.4249 53.8223 32.8275 174.6558 62 V 4.2488 8.3197 124.8913 63.3381 31.1295 175.6614 63 T 4.3542 8.5618 118.5972 62.4796 69.7846 175.0039 64 R 4.4365 7.5172 120.0810 55.5694 33.5975 172.7815 65 R 4.9130 8.7771 126.6902 55.1362 30.8248 175.4272 66 L 4.4686 9.3199 126.2194 52.7522 43.5843 178.5881 67 G 3.8789 8.2595 107.4095 46.9149 0.0000 174.9964 68 T 4.8175 8.5035 121.7195 62.9244 69.1868 173.5946 69 V 4.4383 8.8714 124.9764 59.9986 35.3393 173.6049 70 L 4.8900 8.4933 125.6242 53.7491 43.3804 175.1550 71 I 4.3268 8.5882 128.3369 59.4671 39.2627 175.7648 72 R 4.4647 8.5307 126.5403 55.7007 30.8110 177.9710 73 G 4.0325 9.5625 111.9706 47.5070 0.0000 175.1079 74 D 4.3241 8.0738 118.0194 56.4764 41.5295 176.1963 75 N 4.7167 7.9033 115.2497 53.3954 39.2208 174.6491 76 I 4.2883 7.5714 120.6565 60.9607 38.0997 175.7553 77 V 4.1193 8.6778 126.6139 65.1407 31.8634 175.3874 78 Y 5.0288 7.2173 116.2777 55.9284 41.2965 172.9736 79 I 5.1750 8.4415 120.3432 59.8461 40.7263 174.7733 80 S 4.7285 9.2069 119.8969 55.8488 66.6460 172.2174 81 P 4.4445 0.0000 0.0000 62.8628 31.1633 176.5372 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 8 R 8.25 4.33 0.00 1.78 2.02 0.00 3.14 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 9 V 7.38 4.35 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 0.73 0.00 0.00 0.92 0.00 0.00 10 N 9.42 4.38 0.00 2.72 2.70 0.00 0.00 7.08 7.71 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 11 V 8.43 3.81 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 0.76 0.00 0.00 0.93 0.00 0.00 12 Q 8.85 4.59 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.25 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 13 R 7.83 4.71 0.00 1.90 1.83 0.00 3.15 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 14 P 0.00 4.27 0.00 2.26 2.32 0.00 3.71 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 15 L 7.96 4.09 0.00 1.77 1.83 0.97 1.13 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 16 D 8.32 4.47 0.00 2.84 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 17 A 7.70 4.03 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 18 L 7.83 3.85 0.00 0.48 0.13 0.58 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.88 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 0.00 0.00 0.00 20 N 8.12 4.52 0.00 2.87 2.89 0.00 0.00 7.00 7.37 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 21 S 7.86 4.59 0.00 3.90 3.84 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 22 L 7.09 4.16 0.00 1.69 1.71 1.06 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.46 4.34 0.00 2.85 2.94 0.00 0.00 6.80 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 7.71 4.90 0.00 3.98 3.71 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 25 P 0.00 4.89 0.00 1.95 1.99 0.00 3.63 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 2.03 2.13 0.00 26 V 9.14 4.76 2.17 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 0.95 0.00 0.00 0.97 0.00 0.00 27 I 9.14 4.84 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.85 1.03 0.00 0.00 28 I 9.23 4.78 1.99 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 1.16 1.16 0.92 0.00 0.00 29 K 8.53 4.64 0.00 0.79 0.74 0.00 1.57 0.00 0.00 1.42 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.95 1.16 7.81 30 L 9.09 5.06 0.00 1.62 1.69 1.13 0.62 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 31 K 8.67 3.85 0.00 1.71 1.76 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.61 7.81 32 G 8.84 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.74 4.57 0.00 2.76 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.23 4.24 0.00 1.98 1.62 0.00 3.22 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 35 E 7.99 5.02 0.00 1.95 1.60 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 2.11 2.31 0.00 36 F 9.22 5.36 0.00 2.95 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 37 R 8.78 5.04 0.00 1.74 1.80 0.00 3.18 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 38 G 8.12 4.01 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 0.00 0.00 0.00 39 V 8.03 4.71 2.10 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 1.00 0.00 0.00 0.95 0.00 0.00 40 L 8.85 4.44 0.00 1.83 1.71 1.02 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.99 4.69 0.00 1.75 1.84 0.00 1.83 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.51 7.81 42 S 7.77 4.80 0.00 3.80 3.91 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 43 F 8.19 5.78 0.00 3.01 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 44 D 8.42 4.87 0.00 2.82 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.40 3.99 0.00 1.76 1.84 0.87 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.30 4.47 0.00 3.44 3.36 0.00 5.73 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.56 3.24 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 48 N 8.07 5.04 0.00 2.96 2.76 0.00 0.00 6.56 6.74 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 49 L 8.94 5.10 0.00 1.91 1.81 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.65 4.89 2.10 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 1.01 0.00 0.00 0.93 0.00 0.00 51 L 8.88 5.27 0.00 1.58 1.53 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.94 5.12 0.00 2.63 2.70 0.00 0.00 7.23 8.49 0.00 0.00 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 8.58 4.46 0.00 2.80 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.00 4.75 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 55 E 9.49 5.13 0.00 1.85 1.81 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 2.24 2.25 0.00 56 E 9.21 4.66 0.00 1.90 1.70 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 1.94 1.62 0.00 57 L 8.77 5.28 0.00 1.51 1.46 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.98 4.59 0.00 1.87 1.74 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 2.15 2.13 0.00 59 D 9.70 4.38 0.00 2.71 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.49 3.96 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 61 E 7.77 4.53 0.00 1.98 1.71 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 2.19 2.23 0.00 62 V 8.32 4.25 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 0.93 0.00 0.00 0.93 0.00 0.00 63 T 8.56 4.35 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 1.24 0.00 0.00 64 R 7.52 4.44 0.00 1.87 1.78 0.00 3.21 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 65 R 8.78 4.91 0.00 1.87 1.82 0.00 3.27 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 66 L 9.32 4.47 0.00 1.54 1.70 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.26 3.88 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 0.00 0.00 0.00 68 T 8.50 4.82 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 1.28 0.00 0.00 69 V 8.87 4.44 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 0.66 0.00 0.00 0.74 0.00 0.00 70 L 8.49 4.89 0.00 1.61 1.57 0.98 1.00 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 71 I 8.59 4.33 1.77 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 0.79 0.22 0.82 0.00 0.00 72 R 8.53 4.46 0.00 1.85 1.84 0.00 3.12 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.60 0.00 73 G 9.56 4.03 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 0.00 0.00 0.00 74 D 8.07 4.32 0.00 2.63 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 75 N 7.90 4.72 0.00 2.73 2.83 0.00 0.00 6.83 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 76 I 7.57 4.29 1.98 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 1.17 0.71 0.90 0.00 0.00 77 V 8.68 4.12 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 0.90 0.00 0.00 0.94 0.00 0.00 78 Y 7.22 5.03 0.00 2.97 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 79 I 8.44 5.17 1.88 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 1.23 0.69 0.95 0.00 0.00 80 S 9.21 4.73 0.00 3.86 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.44 0.00 2.08 1.94 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00