NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.3199 8.0427 120.5698 54.7092 44.1777 175.3214 4 N 5.0866 8.9330 119.8323 51.8596 41.9495 171.4534 5 I 4.9476 9.3942 128.6986 59.7181 41.2564 174.5454 6 H 4.9644 9.0982 122.9351 55.6121 30.3574 174.3714 7 I 5.5757 8.7505 122.2389 58.7609 40.5569 174.7670 8 K 5.3900 8.5455 123.7906 53.8105 36.2508 175.4302 9 S 4.5540 8.5749 118.7909 58.6059 68.0995 178.6155 10 G 3.3386 8.3927 110.1989 46.5976 0.0000 176.8269 11 Q 4.6227 9.0932 119.2679 54.5977 30.1170 176.9288 12 D 4.6557 8.1163 118.7987 53.3032 42.8998 175.8304 13 K 5.3282 7.1437 119.1009 53.6547 36.4040 175.7300 14 W 5.1921 8.3994 120.2713 55.5443 33.7219 173.2777 15 E 5.0122 8.9420 124.7303 55.2862 30.8009 175.4726 16 V 4.6843 8.5966 118.0845 59.8317 36.4989 174.0398 17 N 5.2959 8.7880 121.0309 52.6063 39.7724 174.8377 18 V 4.5382 8.5941 122.3138 61.1195 35.1703 174.4581 19 A 4.1831 8.6295 130.1674 51.1756 19.4984 176.3706 20 P 4.1192 0.0000 0.0000 65.3608 31.4897 177.7438 21 E 4.7052 7.8247 112.8240 55.9323 30.1199 176.1044 22 S 4.2618 8.0292 116.1883 59.0141 63.5592 174.3751 23 T 4.5936 8.1875 114.2730 61.5681 70.7135 175.6302 24 V 3.8936 8.4470 120.0965 65.7109 31.3248 177.7315 25 L 3.9581 7.9183 120.1479 58.0398 41.8872 178.9032 26 Q 4.4482 8.2862 119.4642 58.5918 28.7309 178.4736 27 F 4.5132 8.2817 121.5788 61.3780 39.2546 177.3349 28 K 3.8477 8.2215 119.5751 58.9735 31.8261 178.8098 29 E 3.8579 8.2942 118.7241 59.6850 29.2133 179.5637 30 A 3.9926 8.1653 119.4824 55.3548 18.7569 179.2442 31 I 3.5925 7.6343 118.1862 64.4296 37.2125 177.7326 32 N 4.0594 8.1050 117.5987 56.9858 38.6008 176.6949 33 K 4.0010 8.1010 118.7766 58.4243 32.1502 176.4855 34 A 4.7757 8.0153 121.2888 51.4572 19.6241 176.0413 35 N 4.2533 8.2823 113.9339 54.5002 40.9871 174.8228 36 G 4.0602 8.0775 115.6146 44.3801 0.0000 172.9900 37 I 3.4138 6.8818 122.7460 59.0115 36.8281 174.2942 38 P 4.2709 0.0000 0.0000 62.4990 32.0221 177.2561 39 V 3.3185 8.4377 121.0176 66.4813 31.4792 177.6715 40 A 4.2048 7.9269 118.6725 53.5570 18.3256 177.0679 41 N 4.9553 8.2475 113.6476 53.6469 41.4899 174.6404 42 Q 4.2934 8.1551 118.6978 55.5303 29.7271 175.4049 43 R 4.5760 8.7654 126.6207 54.6955 31.9271 174.7766 44 L 5.0057 8.3530 127.2440 53.4935 43.7794 175.6051 45 I 5.3608 9.0068 125.1966 58.8423 39.9663 174.0456 46 Y 4.8473 8.3115 127.5213 56.2443 42.2561 175.2201 47 S 3.5041 8.9954 120.6445 59.6823 60.5140 173.1784 48 G 3.9402 8.1613 104.0157 45.6390 0.0000 173.2380 49 K 4.6473 8.0092 118.7122 54.0673 35.3126 174.8692 50 I 4.4888 8.1711 122.4369 60.2565 38.7810 175.1456 51 L 3.6856 8.8359 130.8766 54.5214 42.0872 177.0690 52 K 4.4027 9.3053 124.4657 55.6738 33.7443 177.9053 53 D 4.5544 8.9508 123.1613 56.6725 41.9954 177.3309 54 D 5.1402 8.0040 116.0190 53.6634 40.3128 176.4108 55 Q 4.9034 7.7320 116.3793 54.8768 32.5043 175.5581 56 T 4.4544 8.2617 112.2960 61.2558 70.0759 175.6570 57 V 3.6406 8.5747 124.7930 66.1299 31.3959 177.7752 58 E 4.2208 8.0676 115.9363 57.9439 29.5828 178.7071 59 S 3.9221 7.8160 115.2335 61.1628 62.8707 175.0914 60 Y 4.3731 7.3848 117.1269 57.5834 37.6515 175.9378 61 H 4.1613 7.8135 115.8482 56.3972 26.8411 174.3081 62 I 3.0994 6.8794 120.8363 61.7071 36.3391 176.2065 63 Q 4.1675 8.1251 124.4743 54.6582 29.5449 175.3749 64 D 4.3189 8.3382 119.4659 56.0962 41.5013 176.8705 65 G 4.0532 8.9259 113.8671 45.9457 0.0000 172.9921 66 H 4.8710 7.7962 115.9260 55.0007 30.8272 174.4105 67 S 5.2257 8.6864 117.0994 57.7880 64.2735 173.6497 68 V 4.6900 8.9754 125.4052 61.6572 33.5787 174.5105 69 H 5.0284 9.3401 125.2965 55.1515 30.5895 174.1226 70 L 5.0321 9.2025 124.5350 53.5148 44.0254 175.7058 71 V 4.3351 8.6219 127.8611 61.1114 33.1585 174.9681 72 K 4.7935 8.6588 127.9617 56.5581 32.7569 176.5169 73 S 4.6486 9.1651 119.3371 57.3628 67.6787 174.3446 74 Q 4.2806 8.9044 118.8771 56.4821 28.2086 173.6332 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 3 L 8.04 4.32 0.00 1.67 1.53 0.79 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 4 N 8.93 5.09 0.00 2.70 2.74 0.00 0.00 7.12 7.05 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 5 I 9.39 4.95 1.98 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.59 1.07 0.00 0.00 6 H 9.10 4.96 0.00 3.33 3.27 0.00 5.75 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.75 5.58 2.34 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.32 1.07 0.00 0.00 8 K 8.55 5.39 0.00 1.44 1.58 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.24 7.81 9 S 8.57 4.55 0.00 4.07 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 8.39 3.34 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 0.00 0.00 0.00 0.00 11 Q 9.09 4.62 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.15 1.90 0.00 12 D 8.12 4.66 0.00 2.17 1.54 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 13 K 7.14 5.33 0.00 1.35 1.54 0.00 1.61 0.00 0.00 2.21 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.36 7.81 14 W 8.40 5.19 0.00 3.29 2.88 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 15 E 8.94 5.01 0.00 1.98 1.87 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 2.23 2.46 0.00 16 V 8.60 4.68 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 0.87 0.00 0.00 1.21 0.00 0.00 17 N 8.79 5.30 0.00 2.62 2.75 0.00 0.00 6.66 7.68 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 18 V 8.59 4.54 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 0.62 0.00 0.00 0.71 0.00 0.00 19 A 8.63 4.18 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 20 P 0.00 4.12 0.00 2.14 2.10 0.00 3.54 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 21 E 7.82 4.71 0.00 2.03 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 2.17 2.23 0.00 22 S 8.03 4.26 0.00 4.04 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 23 T 8.19 4.59 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 24 V 8.45 3.89 2.51 0.00 0.00 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 1.21 0.00 0.00 25 L 7.92 3.96 0.00 2.01 1.67 0.96 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.29 4.45 0.00 2.47 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.54 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 27 F 8.28 4.51 0.00 3.11 3.26 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 28 K 8.22 3.85 0.00 1.93 1.73 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.36 7.81 29 E 8.29 3.86 0.00 2.18 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 2.32 2.34 0.00 30 A 8.17 3.99 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.63 3.59 1.74 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.43 0.64 0.00 0.00 32 N 8.10 4.06 0.00 2.72 3.02 0.00 0.00 6.96 5.56 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 33 K 8.10 4.00 0.00 1.90 1.94 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.45 7.81 34 A 8.02 4.78 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 35 N 8.28 4.25 0.00 1.44 1.97 0.00 0.00 7.11 6.95 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 36 G 8.08 4.06 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 0.00 0.00 0.00 37 I 6.88 3.41 1.64 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.32 0.81 0.00 0.00 38 P 0.00 4.27 0.00 2.17 2.13 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.91 0.00 39 V 8.44 3.32 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 0.92 0.00 0.00 0.88 0.00 0.00 40 A 7.93 4.20 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 41 N 8.25 4.96 0.00 2.84 2.79 0.00 0.00 6.98 7.58 0.00 0.00 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 Q 8.16 4.29 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.77 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 43 R 8.77 4.58 0.00 1.88 2.01 0.00 3.07 0.00 0.00 3.17 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 44 L 8.35 5.01 0.00 1.58 1.55 0.52 0.61 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 45 I 9.01 5.36 1.90 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 1.10 1.87 0.93 0.00 0.00 46 Y 8.31 4.85 0.00 3.01 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 47 S 9.00 3.50 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 48 G 8.16 3.94 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 0.00 0.00 0.00 49 K 8.01 4.65 0.00 2.00 1.76 0.00 1.82 0.00 0.00 1.79 0.00 0.00 3.12 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.45 1.39 7.81 50 I 8.17 4.49 1.88 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 1.33 0.75 0.93 0.00 0.00 51 L 8.84 3.69 0.00 1.39 1.38 0.90 -0.21 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 52 K 9.31 4.40 0.00 1.85 1.79 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.67 7.81 53 D 8.95 4.55 0.00 2.70 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 D 8.00 5.14 0.00 2.69 2.76 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 0.00 0.00 0.00 0.00 55 Q 7.73 4.90 0.00 2.39 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.04 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 56 T 8.26 4.45 4.20 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 1.19 0.00 0.00 57 V 8.57 3.64 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 0.67 0.00 0.00 0.83 0.00 0.00 58 E 8.07 4.22 0.00 2.20 2.21 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 2.22 2.23 0.00 59 S 7.82 3.92 0.00 3.74 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 60 Y 7.38 4.37 0.00 3.18 3.08 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 61 H 7.81 4.16 0.00 3.43 3.46 0.00 5.87 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 6.88 3.10 1.54 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.28 0.56 0.00 0.00 63 Q 8.13 4.17 0.00 1.58 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 7.06 0.00 0.00 0.00 0.00 0.00 2.59 2.25 0.00 64 D 8.34 4.32 0.00 2.61 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.93 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 H 7.80 4.87 0.00 3.39 3.58 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.69 5.23 0.00 3.82 3.81 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 0.00 0.00 0.00 68 V 8.98 4.69 2.34 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 1.19 0.00 0.00 1.06 0.00 0.00 69 H 9.34 5.03 0.00 3.34 3.26 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 9.20 5.03 0.00 1.58 1.81 0.86 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.62 4.34 2.09 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 0.92 0.00 0.00 0.96 0.00 0.00 72 K 8.66 4.79 0.00 1.69 1.71 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.50 7.81 73 S 9.17 4.65 0.00 3.67 3.70 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 74 Q 8.90 4.28 0.00 2.09 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.65 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00