NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2776 8.1933 115.2925 59.5791 62.3718 173.2404 2 R 3.6965 8.2477 124.6506 55.9906 27.9505 172.8572 3 V 3.8920 7.5590 113.8040 60.9151 30.0857 176.2260 4 C 3.8387 8.2456 125.6867 60.3229 31.2380 173.1216 5 Q 3.8777 7.4076 121.3873 57.4947 29.0478 174.9082 6 V 3.7222 7.7557 118.2017 64.6023 31.9016 177.3316 7 T 4.3405 7.8304 108.5555 59.7311 69.4141 174.5624 8 G 4.1567 8.2145 109.1558 46.4819 0.0000 173.9427 9 K 4.1327 7.4578 119.5667 56.0505 32.5177 176.7593 10 R 4.9443 8.1399 121.2507 52.9515 33.7200 173.5034 11 P 4.3708 0.0000 0.0000 63.2878 31.7317 176.0384 12 V 4.6705 8.4026 115.9546 59.4623 35.0138 174.8162 13 T 4.5517 8.6521 115.2229 61.4528 70.0193 174.4159 14 G 4.2327 8.3153 111.4752 45.5034 0.0000 170.3733 15 N 5.3306 8.7622 116.7645 51.7385 41.6452 174.8194 16 N 4.1718 8.6491 120.3360 56.3548 38.8147 175.4473 17 R 3.7159 8.0679 122.2848 56.5090 27.1984 177.1074 18 S 4.3921 7.9480 115.8029 57.6217 65.1695 174.5179 19 H 4.4612 8.3564 116.5468 57.0175 29.1335 175.8993 20 A 3.8912 9.0539 123.3137 52.0907 17.5491 178.9293 21 L 3.9282 7.4373 112.1565 55.0742 39.3470 173.9177 22 N 4.4956 8.1271 116.7532 53.5224 39.3772 173.7980 23 A 4.6673 8.5741 126.9260 51.0159 20.2004 176.5087 24 T 4.4146 8.2811 112.4223 60.5748 71.8437 173.1727 25 K 4.6071 8.0603 125.3222 54.3786 31.2383 175.9642 26 R 4.0609 9.0762 123.1813 55.6453 31.2927 173.0320 27 R 3.8114 7.7746 126.8042 55.4669 29.6027 175.3287 28 F 4.6455 8.3753 124.4818 56.7545 40.3056 174.6968 29 L 4.7506 7.9942 120.9442 54.8522 42.4501 172.2579 30 P 4.6489 0.0000 0.0000 61.3635 32.9353 175.2462 31 N 4.6886 8.4422 116.9146 51.6465 37.1859 173.7796 32 L 5.0977 8.3483 123.1212 52.4318 43.8039 177.5777 33 H 4.6399 8.5823 119.6719 54.6127 28.3767 173.0950 34 S 3.7434 8.2265 119.2709 59.1073 62.4870 171.0181 35 H 4.3663 7.8566 116.9681 55.8444 32.8247 173.2506 36 R 4.6893 8.5248 125.5638 55.9191 31.0135 175.8205 37 F 5.0891 9.2034 122.1584 55.5111 42.2560 174.2216 38 W 5.3283 9.1807 132.0682 56.7028 31.2728 176.0096 39 V 3.6820 6.5094 118.2429 60.4804 33.3954 175.3491 40 E 3.2096 5.9000 122.0964 56.4242 27.3018 176.2744 41 S 3.6487 6.9869 110.7167 63.3887 63.3983 175.3742 42 E 3.8738 7.9179 128.2805 57.3671 30.2954 176.6472 43 K 3.4843 7.7443 118.0714 56.7975 30.7628 174.6691 44 R 4.9961 6.9193 111.5047 54.8840 33.3889 173.6739 45 F 5.3008 8.9000 118.5312 57.2901 40.3003 175.9681 46 V 4.5053 9.4690 116.7182 59.8242 34.5862 174.5997 47 T 4.9315 8.7336 121.1929 61.5286 68.2753 173.9307 48 L 4.7413 8.8749 128.1866 52.8957 45.3636 176.0133 49 R 4.0188 9.0579 123.4668 57.3215 30.4323 175.7342 50 V 5.0418 8.4601 118.1252 58.3396 36.3284 174.3949 51 S 5.5473 8.6154 113.5016 55.4060 66.5850 173.6518 52 A 4.3181 8.5050 123.0916 53.2767 19.0631 177.5076 53 K 4.3115 9.0680 126.7191 57.8241 32.0071 178.3427 54 G 4.2851 7.7968 103.6320 46.2807 0.0000 174.1611 55 M 4.4803 8.0814 120.4374 56.9874 33.2266 178.0057 56 R 4.2666 8.1028 117.4570 59.1698 30.3878 178.3840 57 V 3.8249 8.3841 119.5195 64.7080 31.3786 178.4903 58 I 3.7542 7.5413 119.6145 63.5743 36.7337 177.6927 59 D 4.2569 8.3744 119.4539 55.8676 40.7628 176.1699 60 K 4.1201 7.9718 119.4052 55.9912 32.9832 177.3911 61 K 4.0958 8.2786 120.0269 58.8916 33.3790 177.4766 62 G 4.0313 8.2817 107.2929 44.9056 0.0000 174.0583 63 I 3.2793 7.8626 116.6471 64.9106 37.8610 177.4445 64 D 4.3740 7.8518 120.4364 56.6016 40.9283 178.7972 65 T 3.8470 7.8441 115.8593 66.7402 68.2325 176.5182 66 V 3.8990 7.9406 120.6946 64.5387 31.5421 177.0217 67 L 4.3068 7.3201 116.6515 54.5834 41.5434 178.1840 68 A 4.1424 7.5964 122.3710 56.9208 19.0515 179.4834 69 E 4.1257 8.1830 116.3775 57.4477 30.4930 175.5259 70 L 4.0623 8.6558 120.4356 57.3392 40.6219 176.9149 71 R 3.6892 7.8338 117.0959 58.9303 30.3360 177.7493 72 A 4.3139 7.5957 118.5957 53.2433 18.1825 177.6595 73 R 4.4458 7.2263 112.1592 54.7263 33.0323 174.4958 74 G 3.5737 7.8869 105.4700 46.6206 0.0000 175.0413 75 E 4.6144 8.1354 118.6374 56.0740 30.3366 177.3400 76 K 3.2734 8.3854 118.9608 58.0808 33.5875 175.2653 77 Y 4.0397 8.5916 114.6757 58.0220 39.1202 169.7948 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 1 S 8.19 4.28 0.00 3.88 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 2 R 8.25 3.70 0.00 2.01 2.09 0.00 3.44 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 3 V 7.56 3.89 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 0.95 0.00 0.00 4 C 8.25 3.84 0.00 2.92 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 5 Q 7.41 3.88 0.00 2.48 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 6 V 7.76 3.72 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 0.93 0.00 0.00 0.87 0.00 0.00 7 T 7.83 4.34 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 8 G 8.21 4.16 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 0.00 0.00 0.00 9 K 7.46 4.13 0.00 1.85 1.75 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.41 7.81 10 R 8.14 4.94 0.00 1.76 1.81 0.00 3.22 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.78 0.00 11 P 0.00 4.37 0.00 2.20 2.10 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 12 V 8.40 4.67 2.15 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 0.81 0.00 0.00 1.06 0.00 0.00 13 T 8.65 4.55 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 14 G 8.32 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 0.00 0.00 0.00 0.00 15 N 8.76 5.33 0.00 2.60 2.69 0.00 0.00 6.79 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.65 4.17 0.00 2.67 2.83 0.00 0.00 6.98 7.51 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 17 R 8.07 3.72 0.00 1.96 1.97 0.00 3.38 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 18 S 7.95 4.39 0.00 4.06 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 19 H 8.36 4.46 0.00 3.14 3.30 0.00 5.99 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 20 A 9.05 3.89 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 21 L 7.44 3.93 0.00 1.89 1.93 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.13 4.50 0.00 2.64 2.77 0.00 0.00 6.87 7.54 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 23 A 8.57 4.67 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.28 4.41 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 25 K 8.06 4.61 0.00 1.64 1.75 0.00 1.89 0.00 0.00 1.85 0.00 0.00 2.79 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.44 7.81 26 R 9.08 4.06 0.00 1.60 2.00 0.00 2.83 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.85 0.00 27 R 7.77 3.81 0.00 1.90 1.93 0.00 3.20 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 28 F 8.38 4.65 0.00 3.21 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 29 L 7.99 4.75 0.00 1.72 1.66 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.65 0.00 2.20 2.10 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.08 0.00 31 N 8.44 4.69 0.00 3.09 3.10 0.00 0.00 5.76 6.67 0.00 0.00 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 L 8.35 5.10 0.00 1.61 1.59 0.96 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.58 4.64 0.00 3.22 3.34 0.00 5.68 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.23 3.74 0.00 4.07 3.93 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 35 H 7.86 4.37 0.00 3.20 3.09 0.00 5.86 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.52 4.69 0.00 1.46 1.78 0.00 3.16 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 37 F 9.20 5.09 0.00 3.18 3.01 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 38 W 9.18 5.33 0.00 3.42 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 39 V 6.51 3.68 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 0.63 0.00 0.00 0.57 0.00 0.00 40 E 5.90 3.21 0.00 1.84 1.85 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 1.89 2.20 0.00 41 S 6.99 3.65 0.00 3.71 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 42 E 7.92 3.87 0.00 1.88 1.91 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 2.30 2.29 0.00 43 K 7.74 3.48 0.00 2.00 1.90 0.00 1.75 0.00 0.00 1.82 0.00 0.00 3.24 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.39 1.57 7.81 44 R 6.92 5.00 0.00 2.01 2.04 0.00 3.11 0.00 0.00 3.43 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 45 F 8.90 5.30 0.00 3.11 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 46 V 9.47 4.51 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 0.94 0.00 0.00 1.06 0.00 0.00 47 T 8.73 4.93 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 1.30 0.00 0.00 48 L 8.87 4.74 0.00 1.64 1.56 0.65 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 49 R 9.06 4.02 0.00 1.73 1.96 0.00 3.17 0.00 0.00 3.25 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 50 V 8.46 5.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.13 0.00 0.00 51 S 8.62 5.55 0.00 3.85 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 52 A 8.50 4.32 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 53 K 9.07 4.31 0.00 1.95 1.93 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.36 7.81 54 G 7.80 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 0.00 0.00 0.00 0.00 55 M 8.08 4.48 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.74 0.00 56 R 8.10 4.27 0.00 1.84 2.07 0.00 3.24 0.00 0.00 3.28 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 57 V 8.38 3.82 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 0.74 0.00 0.00 0.91 0.00 0.00 58 I 7.54 3.75 1.89 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.87 0.62 0.00 0.00 59 D 8.37 4.26 0.00 2.81 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 60 K 7.97 4.12 0.00 1.71 1.68 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.38 7.81 61 K 8.28 4.10 0.00 1.75 1.83 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.48 7.81 62 G 8.28 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 63 I 7.86 3.28 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.47 0.90 0.00 0.00 64 D 7.85 4.37 0.00 2.65 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 65 T 7.84 3.85 4.40 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 1.21 0.00 0.00 66 V 7.94 3.90 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 0.96 0.00 0.00 0.85 0.00 0.00 67 L 7.32 4.31 0.00 1.68 1.57 0.67 -0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.60 4.14 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.18 4.13 0.00 2.10 1.95 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 2.39 2.39 0.00 70 L 8.66 4.06 0.00 2.22 2.03 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.83 3.69 0.00 1.73 1.94 0.00 3.09 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.39 0.00 72 A 7.60 4.31 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.23 4.45 0.00 1.86 1.90 0.00 3.36 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 74 G 7.89 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.14 4.61 0.00 2.04 1.95 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 2.24 2.41 0.00 76 K 8.39 3.27 0.00 1.96 1.81 0.00 1.77 0.00 0.00 1.83 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.52 7.81 77 Y 8.59 4.04 0.00 3.21 3.10 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