NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.4383 8.3349 115.2910 58.1950 63.8065 173.6328 7 L 4.3641 8.2427 126.1157 55.1574 43.0051 177.1891 8 Q 3.9092 8.7965 120.5192 59.3806 29.3075 177.8609 9 D 4.3901 7.6293 119.4470 57.0218 40.9744 177.1841 10 P 4.3599 0.0000 0.0000 65.8264 31.3343 177.7404 11 Y 4.0123 8.0102 119.3367 60.7053 38.6981 178.1219 12 L 3.7167 8.0414 120.0363 57.6258 41.5606 179.0752 13 N 4.5496 8.5663 117.4820 56.8447 38.7961 177.2279 14 T 3.8562 8.0093 117.4172 66.5512 68.5781 176.6994 15 L 3.8329 7.5430 120.7505 57.6421 41.5516 179.5377 16 R 4.0943 8.0704 120.2372 58.9499 29.9446 178.5622 17 K 3.8933 8.3719 117.5885 59.5430 32.1804 177.8945 18 E 4.2925 8.3479 115.1546 55.5588 29.6239 176.2818 19 R 3.7139 7.6071 117.0760 57.0056 28.3291 176.7034 20 V 3.8653 7.6263 116.9320 61.9256 32.4830 174.2968 21 P 4.6113 0.0000 0.0000 62.9142 32.7157 175.7421 22 V 4.9524 8.9885 116.1817 59.8551 36.9228 174.3283 23 S 4.9710 9.0263 117.8372 56.9072 65.8251 173.4254 24 I 4.7550 8.6766 126.4671 59.9039 39.1368 174.2588 25 Y 4.8965 8.9447 126.1191 56.8345 39.6513 175.8506 26 L 4.8941 8.9909 124.5982 53.6594 43.4076 178.5206 27 V 3.7149 8.7432 114.4889 64.0355 31.5036 177.2883 28 N 4.6279 8.1491 115.2006 52.7100 37.6111 175.5767 29 G 4.0932 8.1570 108.4433 45.4106 0.0000 174.4604 30 I 3.8754 8.2335 121.3343 61.3840 38.3164 174.9536 31 K 4.6131 8.5916 127.4080 54.7386 33.6524 175.0903 32 L 4.7969 8.7848 127.7449 53.2520 44.3664 175.6108 33 Q 4.8462 9.4374 119.6607 53.6973 32.8863 176.2577 34 G 3.8359 6.9666 107.8007 45.6497 0.0000 170.8701 35 Q 4.9418 7.6865 118.0033 53.8542 32.3329 175.5654 36 I 4.3012 8.1683 123.4195 61.4570 37.5479 176.3298 37 E 4.2297 9.3249 130.4747 58.8133 30.4084 176.3289 38 S 4.6072 7.7856 111.6145 58.3068 65.1728 173.7270 39 F 5.1323 7.6839 113.9962 56.3994 39.8001 173.1189 40 D 4.5199 8.6830 120.1382 52.4261 41.3674 175.5208 41 Q 3.8422 8.8626 117.9452 58.8958 29.2101 178.0548 42 F 5.0417 7.9216 111.5257 57.2680 41.2778 175.0147 43 V 5.0503 8.5773 113.1560 59.4851 36.4432 174.5544 44 I 4.9856 8.6143 122.0521 59.6053 41.0672 174.4229 45 L 4.8658 9.2344 129.7565 53.8365 43.2987 174.7224 46 L 5.2363 8.7920 129.5695 53.4728 44.4586 175.2088 47 K 4.4269 9.0826 123.5154 55.6422 35.9174 175.7475 48 N 4.9252 8.7541 125.8988 55.1030 37.8091 175.2948 49 T 4.0649 7.8782 115.1809 64.0904 68.6360 175.2174 50 V 4.3103 7.3673 119.7205 60.9900 34.1982 173.7060 51 S 4.9197 8.6648 122.6214 57.5450 63.2052 172.9313 52 Q 4.6402 9.0656 123.8309 55.3805 32.2627 172.6722 53 M 4.6832 8.5317 121.0377 54.3111 33.5695 174.9854 54 V 4.3856 8.7292 126.8067 61.2038 34.2439 174.3472 55 Y 4.3344 8.5081 125.6725 57.2126 38.7085 176.6598 56 K 4.0132 9.2346 125.4909 59.7481 32.3623 178.8631 57 H 4.2568 8.3774 112.5783 57.5759 28.5582 175.5419 58 A 4.6091 8.1761 122.4095 51.9784 19.5224 176.1005 59 I 4.7193 7.8316 118.3265 60.2213 38.6165 175.4649 60 S 4.7573 9.3228 120.6666 60.1452 63.9947 174.3857 61 T 4.8203 7.7951 109.7367 59.3275 72.6028 172.2560 62 V 4.7585 8.4742 122.0185 61.2564 34.0381 174.7199 63 V 4.4753 8.9419 128.7654 60.4970 33.5671 173.2867 64 P 4.8920 0.0000 0.0000 62.4181 31.7512 177.0655 65 S 4.5402 8.7637 116.5569 60.2384 63.5144 174.0901 66 R 4.6715 7.5840 115.2062 53.9835 32.0469 172.8521 67 P 4.4759 0.0000 0.0000 62.8886 31.9100 176.3707 68 V 4.5144 7.8321 112.9686 59.0392 35.6542 175.4655 69 R 3.9415 8.5327 122.0074 56.7807 30.3029 175.9758 70 L 4.7872 8.2662 125.1052 52.5421 43.5902 174.7162 71 P 4.4570 0.0000 0.0000 63.1639 31.4597 176.1600 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 S 8.33 4.44 0.00 3.85 3.85 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 7 L 8.24 4.36 0.00 1.74 1.62 0.89 0.46 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 8 Q 8.80 3.91 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 9 D 7.63 4.39 0.00 2.75 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 10 P 0.00 4.36 0.00 2.31 2.35 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.17 0.00 11 Y 8.01 4.01 0.00 3.16 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 12 L 8.04 3.72 0.00 0.84 0.60 0.34 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.57 4.55 0.00 3.21 2.90 0.00 0.00 7.20 6.76 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 14 T 8.01 3.86 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 1.17 0.00 0.00 15 L 7.54 3.83 0.00 1.69 1.57 0.56 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.07 4.09 0.00 2.08 2.20 0.00 3.30 0.00 0.00 3.45 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 17 K 8.37 3.89 0.00 1.81 1.87 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.57 7.81 18 E 8.35 4.29 0.00 2.05 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 2.29 2.25 0.00 19 R 7.61 3.71 0.00 1.91 1.96 0.00 3.15 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 20 V 7.63 3.87 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.93 0.00 0.00 21 P 0.00 4.61 0.00 2.10 1.93 0.00 3.57 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 22 V 8.99 4.95 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 0.92 0.00 0.00 0.95 0.00 0.00 23 S 9.03 4.97 0.00 3.73 3.29 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 24 I 8.68 4.76 1.81 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 1.22 0.50 0.92 0.00 0.00 25 Y 8.94 4.90 0.00 2.98 2.90 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 0.00 0.00 0.00 26 L 8.99 4.89 0.00 1.79 1.73 0.95 0.80 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 27 V 8.74 3.71 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 0.74 0.00 0.00 1.01 0.00 0.00 28 N 8.15 4.63 0.00 2.83 2.94 0.00 0.00 6.33 7.00 0.00 0.00 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 G 8.16 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.23 3.88 2.00 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 1.27 0.88 0.91 0.00 0.00 31 K 8.59 4.61 0.00 1.64 1.61 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.80 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.06 0.61 7.81 32 L 8.78 4.80 0.00 1.49 1.48 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 9.44 4.85 0.00 1.82 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.14 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 34 G 6.97 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 0.00 0.00 0.00 35 Q 7.69 4.94 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.94 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 36 I 8.17 4.30 1.87 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.00 1.03 0.00 0.00 37 E 9.32 4.23 0.00 1.96 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 2.31 2.25 0.00 38 S 7.79 4.61 0.00 3.89 3.87 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 39 F 7.68 5.13 0.00 3.25 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 40 D 8.68 4.52 0.00 2.81 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 41 Q 8.86 3.84 0.00 1.77 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.90 0.00 0.00 0.00 0.00 0.00 1.48 2.06 0.00 42 F 7.92 5.04 0.00 3.28 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.58 5.05 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 0.30 0.00 0.00 0.96 0.00 0.00 44 I 8.61 4.99 1.88 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 1.16 0.70 0.93 0.00 0.00 45 L 9.23 4.87 0.00 1.70 1.68 0.95 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.79 5.24 0.00 1.78 1.47 0.92 0.76 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 47 K 9.08 4.43 0.00 1.86 1.91 0.00 1.39 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.60 7.81 48 N 8.75 4.93 0.00 2.80 2.74 0.00 0.00 7.00 7.70 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 49 T 7.88 4.06 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 1.19 0.00 0.00 50 V 7.37 4.31 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 0.85 0.00 0.00 0.92 0.00 0.00 51 S 8.66 4.92 0.00 3.91 3.74 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 52 Q 9.07 4.64 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.58 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 53 M 8.53 4.68 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.17 0.00 54 V 8.73 4.39 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 1.02 0.00 0.00 0.92 0.00 0.00 55 Y 8.51 4.33 0.00 2.94 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.23 4.01 0.00 2.01 1.95 0.00 1.88 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.50 1.53 7.81 57 H 8.38 4.26 0.00 3.27 3.55 0.00 5.53 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.18 4.61 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.83 4.72 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.93 1.04 0.00 0.00 60 S 9.32 4.76 0.00 3.84 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 61 T 7.80 4.82 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 1.19 0.00 0.00 62 V 8.47 4.76 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 0.89 0.00 0.00 0.98 0.00 0.00 63 V 8.94 4.48 2.32 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 1.11 0.00 0.00 1.12 0.00 0.00 64 P 0.00 4.89 0.00 2.15 1.92 0.00 3.83 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 65 S 8.76 4.54 0.00 3.89 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 66 R 7.58 4.67 0.00 1.89 1.89 0.00 3.03 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 1.48 1.64 0.00 67 P 0.00 4.48 0.00 2.07 2.04 0.00 3.62 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 2.12 0.00 68 V 7.83 4.51 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.85 0.00 0.00 69 R 8.53 3.94 0.00 1.77 1.85 0.00 3.23 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 70 L 8.27 4.79 0.00 1.71 1.62 0.95 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.46 0.00 2.21 2.08 0.00 3.92 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.22 0.00