NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 H 4.6456 8.2876 117.8394 57.2434 30.2779 171.8321 17 S 3.2152 8.7304 108.0736 60.5765 63.4289 172.0824 18 A 4.0669 10.6000 124.7057 55.2471 18.9254 181.1606 19 V 3.5295 7.5653 109.3412 64.2358 31.9625 178.5555 20 M 4.0195 8.0582 117.6142 58.7872 31.8401 178.0466 21 E 4.1886 7.9024 118.6999 59.0251 29.5179 179.4185 22 R 3.9046 7.4789 118.8460 59.1901 30.1935 178.2936 23 L 3.9303 8.6313 120.6099 58.2463 42.1324 178.8071 24 R 3.9258 8.4112 118.4934 59.6134 29.7838 178.9978 25 R 3.9265 7.4340 116.8828 59.4121 30.2901 178.1021 26 R 3.9599 8.0219 118.7726 59.0657 30.1377 178.1329 27 I 3.6593 7.8731 119.3858 64.7895 37.1281 177.6436 28 E 3.9751 8.1366 119.6496 59.3746 29.2544 178.8211 29 L 4.2188 8.5519 120.5044 58.3507 42.1601 178.4588 30 C 4.0491 8.0999 116.0925 63.1714 28.1256 175.4543 31 R 4.0313 8.4433 120.0451 60.0765 29.3289 178.0813 32 R 3.8903 8.9072 118.6913 59.8782 30.4234 177.7975 33 H 4.2720 8.6479 118.2924 59.4152 29.8407 176.3095 34 H 3.9564 9.2614 120.9223 59.9333 29.1775 176.4525 35 S 4.0167 8.2180 113.7401 62.6078 61.6252 176.3873 36 T 3.6971 8.3189 117.8847 67.2680 68.0232 175.9439 37 C 4.2863 7.6621 118.8116 62.1501 27.8858 175.4128 38 E 4.1782 8.4037 117.5491 57.2995 29.6734 177.4881 39 A 4.6826 9.7940 120.1767 51.1718 21.6949 179.6177 40 R 3.9282 7.8990 112.4753 59.6512 29.6057 178.0811 41 Y 4.2355 8.1416 120.5125 60.4919 38.4614 177.8404 42 E 3.8008 8.2363 117.8441 59.0034 29.8423 178.1563 43 A 4.1242 7.2402 119.7264 55.1494 18.8893 179.7312 44 V 3.7608 8.3038 111.2406 63.6167 31.4798 178.7455 45 S 3.9396 7.6317 114.8120 61.8897 62.3551 174.1891 46 P 3.7253 0.0000 0.0000 65.6056 31.1151 176.7618 47 E 3.9312 8.3035 124.6271 59.7856 30.0952 178.7529 48 R 4.1377 7.8386 118.3309 58.5527 30.3968 177.6391 49 L 4.0578 8.8110 120.4759 57.0280 42.1327 177.9584 50 E 4.0894 7.9246 118.9148 58.5570 29.4705 176.7153 51 L 4.3663 7.6710 117.8279 55.2816 42.2952 176.4239 52 E 4.4706 7.7337 117.9295 58.7114 31.0883 176.9895 53 R 4.0633 8.3545 118.9651 57.7762 29.8623 178.1888 54 Q 3.9693 7.8669 122.2636 59.7100 29.4920 179.2386 55 H 4.4407 8.1840 118.6204 59.3777 30.0594 176.7439 56 T 4.1878 7.7820 113.8077 65.3090 68.4128 175.0752 57 F 4.4929 8.4137 123.3539 59.6958 38.9125 176.1730 58 A 4.0058 8.2000 117.4765 53.1725 18.7431 177.3774 59 L 4.4047 7.4589 121.1748 56.6980 44.2968 177.2617 60 H 4.2743 8.7059 119.0178 59.1220 30.4279 176.0967 61 Q 4.1815 7.5509 118.4442 54.2789 27.1715 174.7133 62 R 4.6873 6.9599 122.0599 56.3921 34.5144 177.3214 63 C 4.0678 7.7025 118.1472 61.7334 31.1238 174.7769 64 I 4.1404 7.6214 118.8983 61.8780 38.0192 176.2467 65 Q 4.4766 7.8277 116.4674 55.9110 28.9344 176.0807 66 A 4.5152 7.3436 120.7515 52.3583 20.1331 178.3623 67 K 4.1049 7.4930 116.0246 58.1757 32.1608 177.5645 68 A 4.4654 7.2877 118.4989 52.3674 18.4115 177.5727 69 K 4.3650 7.8146 114.9443 55.3851 34.3946 176.5080 70 R 4.0352 7.4739 121.0127 56.6369 30.7689 175.7314 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 H 8.29 4.65 0.00 3.22 3.32 0.00 5.69 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.73 3.22 0.00 4.16 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 18 A 10.60 4.07 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 19 V 7.57 3.53 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 0.84 0.00 0.00 0.90 0.00 0.00 20 M 8.06 4.02 0.00 2.15 2.19 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 2.68 2.69 0.00 21 E 7.90 4.19 0.00 2.29 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 2.33 2.46 0.00 22 R 7.48 3.90 0.00 1.95 2.08 0.00 3.09 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 23 L 8.63 3.93 0.00 1.76 1.79 0.93 1.23 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 24 R 8.41 3.93 0.00 1.85 1.99 0.00 3.43 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 25 R 7.43 3.93 0.00 1.92 2.18 0.00 3.27 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 26 R 8.02 3.96 0.00 1.94 2.01 0.00 3.18 0.00 0.00 3.17 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 27 I 7.87 3.66 2.03 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 1.41 0.35 0.91 0.00 0.00 28 E 8.14 3.98 0.00 2.17 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 2.32 2.39 0.00 29 L 8.55 4.22 0.00 1.87 1.62 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.10 4.05 0.00 3.02 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 31 R 8.44 4.03 0.00 2.12 2.01 0.00 3.14 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 32 R 8.91 3.89 0.00 1.97 2.10 0.00 3.51 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 33 H 8.65 4.27 0.00 3.32 3.50 0.00 5.86 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 9.26 3.96 0.00 3.20 3.49 0.00 5.68 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.22 4.02 0.00 3.98 4.04 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 0.00 0.00 0.00 36 T 8.32 3.70 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 1.22 0.00 0.00 37 C 7.66 4.29 0.00 2.86 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 38 E 8.40 4.18 0.00 2.00 2.05 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 2.42 2.42 0.00 39 A 9.79 4.68 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 40 R 7.90 3.93 0.00 2.12 2.22 0.00 2.86 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.73 0.00 41 Y 8.14 4.24 0.00 3.00 3.05 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 42 E 8.24 3.80 0.00 2.17 1.96 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 2.30 2.41 0.00 43 A 7.24 4.12 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.30 3.76 2.06 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 0.78 0.00 0.00 1.03 0.00 0.00 45 S 7.63 3.94 0.00 3.67 3.99 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 46 P 0.00 3.73 0.00 2.00 1.97 0.00 3.77 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.14 0.00 47 E 8.30 3.93 0.00 1.93 2.14 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 2.29 2.39 0.00 48 R 7.84 4.14 0.00 2.03 1.92 0.00 3.18 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 49 L 8.81 4.06 0.00 1.58 1.98 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.92 4.09 0.00 2.24 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 2.26 2.33 0.00 51 L 7.67 4.37 0.00 1.68 1.64 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 52 E 7.73 4.47 0.00 1.96 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 0.00 2.21 2.45 0.00 53 R 8.35 4.06 0.00 1.85 1.83 0.00 3.38 0.00 0.00 3.10 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.75 0.00 54 Q 7.87 3.97 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.97 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 55 H 8.18 4.44 0.00 3.39 3.30 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 56 T 7.78 4.19 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 57 F 8.41 4.49 0.00 3.08 3.04 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 0.00 0.00 0.00 58 A 8.20 4.01 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 59 L 7.46 4.40 0.00 1.57 1.65 0.86 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 60 H 8.71 4.27 0.00 3.20 3.40 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 7.55 4.18 0.00 1.79 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.75 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 62 R 6.96 4.69 0.00 1.94 1.84 0.00 3.37 0.00 0.00 3.18 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.37 0.00 63 C 7.70 4.07 0.00 3.00 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 64 I 7.62 4.14 1.64 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.07 0.77 0.00 0.00 65 Q 7.83 4.48 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 66 A 7.34 4.52 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 67 K 7.49 4.10 0.00 1.92 1.79 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.58 7.81 68 A 7.29 4.47 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 K 7.81 4.37 0.00 1.69 1.82 0.00 1.77 0.00 0.00 1.91 0.00 0.00 3.06 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.46 7.81 70 R 7.47 4.04 0.00 1.91 1.84 0.00 3.23 0.00 0.00 3.55 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00