NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.5904 8.2233 120.1879 53.8171 42.7268 175.9318 6 D 4.2383 8.8488 126.9396 57.3528 40.7730 177.1290 7 D 4.4901 9.7886 120.5245 56.5858 41.1720 177.4808 8 D 4.5063 8.0760 119.0291 55.4501 41.2897 178.9283 9 K 3.9416 7.7211 119.1517 59.2220 32.0405 179.0838 10 K 4.0401 8.0511 119.2901 60.0715 32.1614 178.5488 11 T 3.7871 8.0415 115.9900 66.7888 68.4704 175.8368 12 N 4.3652 8.2384 117.1928 54.6914 38.6366 177.6920 13 W 4.0803 8.1439 121.2126 59.6402 29.1468 178.3998 14 L 3.6206 8.1482 119.1636 57.4687 41.1402 179.2042 15 K 3.6968 8.1314 119.8524 59.8012 31.9229 178.4970 16 R 3.8263 8.0306 118.1477 59.7176 29.6482 178.9356 17 I 3.5633 8.1751 119.8191 64.3976 36.8545 177.4326 18 Y 3.8844 7.8938 119.3946 60.5759 38.7125 177.3960 19 R 4.0285 7.8383 118.4552 58.4785 30.3177 177.8168 20 V 4.3877 7.9519 110.1868 60.3501 32.4577 175.9380 21 R 4.4070 7.2656 117.6562 53.3631 30.5199 173.9316 22 P 4.3354 0.0000 0.0000 62.3331 32.6661 175.6631 23 C 3.6868 8.8739 117.9044 58.1272 31.0732 175.1020 24 V 3.5225 8.5328 122.5564 64.2251 30.9851 177.1168 25 K 3.7617 7.3359 119.7894 58.3369 32.4371 177.3589 26 C 4.1531 7.8315 113.8043 58.9231 30.1136 174.7483 27 K 4.4990 7.8912 116.7384 57.5195 31.5417 175.4796 28 V 4.1082 7.4402 116.1843 64.9717 33.4136 176.1417 29 A 4.1514 7.7559 122.2680 51.4330 18.8358 175.3332 30 P 4.7026 0.0000 0.0000 61.3880 33.4122 175.6248 31 R 4.5098 7.6405 116.7271 55.6685 31.0696 176.2436 32 D 5.0436 8.9743 121.2580 54.6571 42.5997 174.7780 33 W 5.6592 8.2815 119.1086 55.8535 31.3948 173.2107 34 K 4.4642 9.0522 118.1712 55.7540 35.8280 174.7960 35 V 4.5584 8.4258 121.9868 61.6930 32.8275 175.5661 36 K 4.3404 9.2439 127.6522 55.0055 32.9449 178.4907 37 N 3.9621 8.2506 120.1149 52.9024 39.4232 174.5266 38 K 4.3081 8.0186 116.9756 55.7753 34.6231 175.7010 39 H 5.3980 8.5106 118.1921 53.7575 32.2042 172.7488 40 L 4.8377 9.0235 124.6665 53.8255 43.9217 175.0843 41 R 4.8537 8.9833 127.8433 55.1839 31.4656 175.1210 42 I 4.7636 8.8265 129.5573 60.1216 37.8717 175.4151 43 Y 4.6932 8.5752 125.8476 57.7245 38.6201 177.2806 44 N 4.5095 9.5414 120.6147 55.9316 39.1593 175.2467 45 M 4.9646 7.4712 113.6724 53.2564 34.7868 175.2283 46 C 5.0643 8.2714 116.3714 57.4121 32.2298 174.6924 47 K 3.9804 8.5471 120.7734 60.0120 31.7557 178.4460 48 T 3.8904 7.9707 115.3436 67.1331 68.4536 176.2216 49 C 4.1955 8.0980 117.9106 62.5508 28.1126 175.5489 50 F 4.3115 8.3188 122.3580 61.7930 39.0511 176.8953 51 N 3.9634 8.3055 115.8057 56.2529 38.1765 176.9987 52 N 4.9931 8.3192 119.9887 56.1239 39.1128 177.1231 53 S 4.1054 8.4811 115.9994 61.3304 62.7100 176.8306 54 I 3.5650 7.1409 123.2643 64.5003 36.9216 177.8969 55 D 4.3374 7.9073 119.8448 56.8912 40.4307 178.0458 56 I 4.2503 7.9016 110.9243 59.8814 38.0959 175.9011 57 G 3.8982 7.7677 108.3287 46.5868 0.0000 172.7666 58 D 4.6495 7.7803 118.8941 52.8101 42.2570 175.7223 59 D 4.5313 8.3255 124.3504 53.1785 40.1535 177.4602 60 T 3.7180 8.0223 118.5228 67.5400 68.2493 174.9106 61 Y 4.5253 7.4641 114.8565 58.7328 38.5777 175.4660 62 H 4.1042 7.6293 116.0153 56.1865 29.4767 174.4795 63 G 4.4772 7.8519 108.9432 43.9761 0.0000 171.2852 64 H 5.1331 7.6488 114.4520 54.3669 31.1250 172.7022 65 V 4.2678 8.7222 120.7675 61.2504 33.5127 174.3251 66 D 5.2604 8.4862 127.3926 53.3651 42.4335 175.8286 67 W 4.9318 9.0475 121.3221 54.6933 32.9842 174.4699 68 L 4.3557 8.8424 127.1046 55.2591 41.8660 176.4115 69 M 4.4682 8.9538 125.6095 57.2566 32.7055 175.4707 70 Y 4.9189 7.9533 114.1277 56.3033 41.7859 175.3645 71 A 4.1970 9.7551 125.8341 54.1209 18.8306 177.7059 72 D 4.9971 8.0824 114.5865 52.3955 43.3738 175.9483 73 S 4.3612 8.6252 119.2395 58.5445 63.3552 173.8604 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 5 D 8.22 4.59 0.00 2.67 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 6 D 8.85 4.24 0.00 2.82 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 7 D 9.79 4.49 0.00 2.67 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 8 D 8.08 4.51 0.00 2.92 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 9 K 7.72 3.94 0.00 2.13 1.98 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.46 7.81 10 K 8.05 4.04 0.00 1.95 1.85 0.00 1.93 0.00 0.00 1.92 0.00 0.00 3.15 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.71 1.71 7.81 11 T 8.04 3.79 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 1.13 0.00 0.00 12 N 8.24 4.37 0.00 2.52 2.65 0.00 0.00 7.01 7.23 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 13 W 8.14 4.08 0.00 3.58 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 14 L 8.15 3.62 0.00 1.55 1.50 0.92 0.54 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 15 K 8.13 3.70 0.00 2.01 1.72 0.00 1.54 0.00 0.00 1.48 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.37 7.81 16 R 8.03 3.83 0.00 1.84 2.07 0.00 2.83 0.00 0.00 2.86 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 17 I 8.18 3.56 1.65 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.09 0.57 0.00 0.00 18 Y 7.89 3.88 0.00 2.84 2.92 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 19 R 7.84 4.03 0.00 1.93 2.09 0.00 3.28 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 20 V 7.95 4.39 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 0.87 0.00 0.00 1.00 0.00 0.00 21 R 7.27 4.41 0.00 1.77 1.88 0.00 3.21 0.00 0.00 3.33 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 22 P 0.00 4.34 0.00 2.04 2.00 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.91 0.00 23 C 8.87 3.69 0.00 3.04 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 24 V 8.53 3.52 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 0.75 0.00 0.00 0.89 0.00 0.00 25 K 7.34 3.76 0.00 1.44 1.67 0.00 1.42 0.00 0.00 1.57 0.00 0.00 3.22 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.41 7.81 26 C 7.83 4.15 0.00 3.13 3.17 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 0.00 0.00 0.00 0.00 27 K 7.89 4.50 0.00 2.05 1.95 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.31 1.48 7.81 28 V 7.44 4.11 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 0.80 0.00 0.00 0.98 0.00 0.00 29 A 7.76 4.15 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 30 P 0.00 4.70 0.00 1.93 1.95 0.00 3.81 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 2.07 2.04 0.00 31 R 7.64 4.51 0.00 1.93 2.27 0.00 3.27 0.00 0.00 3.44 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.50 0.00 32 D 8.97 5.04 0.00 2.96 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.28 5.66 0.00 3.55 3.09 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 34 K 9.05 4.46 0.00 1.75 1.92 0.00 1.33 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.42 7.81 35 V 8.43 4.56 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 0.93 0.00 0.00 1.25 0.00 0.00 36 K 9.24 4.34 0.00 1.91 1.93 0.00 1.49 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.35 7.81 37 N 8.25 3.96 0.00 2.90 2.80 0.00 0.00 6.21 7.13 0.00 0.00 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 K 8.02 4.31 0.00 1.56 1.47 0.00 1.38 0.00 0.00 1.26 0.00 0.00 2.63 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.10 1.28 7.81 39 H 8.51 5.40 0.00 3.15 3.24 0.00 5.79 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 40 L 9.02 4.84 0.00 1.82 1.66 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.98 4.85 0.00 1.90 1.86 0.00 2.90 0.00 0.00 2.70 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 1.12 0.00 42 I 8.83 4.76 2.16 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 1.46 1.11 1.20 0.00 0.00 43 Y 8.58 4.69 0.00 3.17 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.54 4.51 0.00 3.02 3.02 0.00 0.00 6.94 7.36 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 45 M 7.47 4.96 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.52 0.00 46 C 8.27 5.06 0.00 3.23 3.25 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 0.00 47 K 8.55 3.98 0.00 1.94 1.90 0.00 1.73 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.54 1.66 7.81 48 T 7.97 3.89 4.27 0.00 0.00 0.00 0.00 0.00 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 49 C 8.10 4.20 0.00 3.04 3.03 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 50 F 8.32 4.31 0.00 3.22 3.37 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 51 N 8.31 3.96 0.00 2.91 2.79 0.00 0.00 6.77 6.43 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 52 N 8.32 4.99 0.00 2.90 2.99 0.00 0.00 6.69 7.78 0.00 0.00 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 S 8.48 4.11 0.00 4.30 4.34 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 54 I 7.14 3.57 1.80 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.36 0.81 0.00 0.00 55 D 7.91 4.34 0.00 2.77 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.90 4.25 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.65 0.93 0.00 0.00 57 G 7.77 3.90 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 0.00 0.00 0.00 58 D 7.78 4.65 0.00 2.62 2.60 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 0.00 0.00 0.00 59 D 8.33 4.53 0.00 2.52 2.58 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 0.00 0.00 0.00 0.00 60 T 8.02 3.72 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 61 Y 7.46 4.53 0.00 3.18 3.14 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 0.00 0.00 0.00 62 H 7.63 4.10 0.00 3.47 3.39 0.00 5.68 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 63 G 7.85 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.65 5.13 0.00 3.16 3.29 0.00 5.49 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.72 4.27 2.22 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 0.47 0.00 0.00 0.95 0.00 0.00 66 D 8.49 5.26 0.00 2.48 2.56 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 0.00 0.00 0.00 0.00 67 W 9.05 4.93 0.00 3.56 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 68 L 8.84 4.36 0.00 1.63 1.64 0.72 1.06 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 69 M 8.95 4.47 0.00 2.46 2.46 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.61 0.00 70 Y 7.95 4.92 0.00 2.82 2.85 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 71 A 9.76 4.20 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.08 5.00 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.63 4.36 0.00 4.01 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00