NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4257 8.2929 115.4126 58.0578 65.7093 176.4857 3 N 4.1795 8.1641 122.3364 57.1080 37.5380 180.9136 4 A 4.2072 8.1177 123.3699 54.6515 18.8209 178.9655 5 K 3.8154 8.0638 117.7086 59.9860 32.2320 178.9294 6 I 3.8077 7.5275 119.7368 64.2290 37.0301 177.7150 7 D 4.6233 8.0703 118.3208 56.0775 40.7474 178.2760 8 Q 4.0471 7.9317 120.8260 58.6339 29.0768 177.8251 9 L 3.9650 7.6384 120.0115 57.8123 41.7449 179.2401 10 S 4.1285 8.4159 115.5455 61.8995 62.7254 177.1517 11 S 4.1533 8.0005 119.4233 62.3170 62.5435 176.9258 12 D 4.3983 8.1607 123.7804 58.7229 39.5035 180.8161 13 V 3.8417 8.4128 122.7856 66.3168 31.5925 178.8251 14 Q 4.0182 8.0615 120.5207 60.4812 28.0000 181.0194 15 T 4.0773 8.2031 118.4113 66.4497 68.4405 176.7554 16 L 4.0027 8.1877 121.1105 57.8248 41.6187 179.2298 17 N 4.2846 8.3373 116.1649 56.4783 38.6305 177.3025 18 A 4.0172 7.8935 121.5302 55.1083 18.5495 179.8877 19 K 3.9856 8.0600 117.1475 59.4887 32.2237 179.7935 20 V 3.6917 8.2481 119.0424 65.6910 31.3785 177.9763 21 D 4.3383 8.2477 118.8755 57.5792 40.7531 178.8070 22 Q 4.0706 7.9751 117.9381 58.7663 28.6011 178.7020 23 L 4.0737 7.8838 119.7265 57.4450 41.5472 179.3707 24 S 4.1198 7.9088 113.2761 61.3688 62.3017 175.9486 25 N 4.3584 7.9670 118.9383 56.3579 38.2653 177.2134 26 D 4.3660 8.1781 120.4315 57.2194 40.7983 179.0224 27 V 3.5804 8.2209 119.3131 65.8988 31.5708 177.5500 28 N 4.2439 8.3803 116.7334 56.7305 38.7777 176.7125 29 A 3.9925 8.0673 121.9508 55.0986 18.4481 179.5231 30 A 3.9651 8.2148 119.4158 54.9784 18.4194 179.9344 31 R 3.7988 8.2387 117.6318 59.6459 30.2188 178.7174 32 S 4.0906 8.1440 112.9211 61.4303 62.3885 175.7989 33 D 4.3127 8.2631 121.3475 57.4334 40.6005 178.7007 34 A 4.0095 8.1411 121.2691 55.1682 18.3700 179.5008 35 Q 3.8937 8.2453 117.9608 59.2180 29.1356 178.2753 36 A 4.0084 8.1263 121.7640 54.9549 18.2869 179.5377 37 A 3.9487 8.0985 119.5056 55.0023 18.4736 179.7222 38 K 3.8515 8.1840 118.2235 59.9030 32.3176 178.8427 39 D 4.3742 8.2157 119.1363 57.3369 40.7001 178.2907 40 D 4.3275 8.2662 118.4972 57.2039 41.2302 178.1750 41 A 4.0043 8.4292 121.5143 54.8890 18.3141 179.5120 42 A 3.9615 8.0992 119.6194 55.0879 18.3526 179.8699 43 R 3.7632 8.0368 117.0664 59.4214 30.2362 178.3662 44 A 3.9810 8.0451 120.5718 55.6233 18.4951 179.5276 45 N 4.3708 8.2121 114.4663 56.2781 38.6187 177.7419 46 Q 4.3664 7.9198 121.1818 58.2396 28.6631 178.6205 47 R 3.9988 8.0635 118.4757 59.0645 30.3217 178.7938 48 L 4.1547 7.9810 119.0577 57.7882 41.3967 179.1291 49 D 4.4303 7.9873 118.7680 57.2864 40.5222 177.7668 50 N 4.7455 7.8189 113.1430 53.9881 38.5299 175.1483 51 M 4.2791 7.7761 126.3783 55.4264 32.4518 175.5768 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 2 S 8.29 4.43 0.00 4.02 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 N 8.16 4.18 0.00 2.83 2.86 0.00 0.00 6.80 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 4 A 8.12 4.21 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 5 K 8.06 3.82 0.00 1.87 2.00 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.60 7.81 6 I 7.53 3.81 2.00 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 1.52 0.61 0.91 0.00 0.00 7 D 8.07 4.62 0.00 2.73 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 8 Q 7.93 4.05 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 9 L 7.64 3.96 0.00 1.88 1.69 0.92 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.42 4.13 0.00 3.96 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 11 S 8.00 4.15 0.00 4.01 3.91 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 0.00 0.00 0.00 12 D 8.16 4.40 0.00 2.68 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 13 V 8.41 3.84 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 0.92 0.00 0.00 1.00 0.00 0.00 14 Q 8.06 4.02 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 15 T 8.20 4.08 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 16 L 8.19 4.00 0.00 1.82 1.72 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.34 4.28 0.00 3.02 2.87 0.00 0.00 6.92 6.70 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 18 A 7.89 4.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.06 3.99 0.00 2.00 1.87 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.44 7.81 20 V 8.25 3.69 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 1.03 0.00 0.00 1.02 0.00 0.00 21 D 8.25 4.34 0.00 2.73 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 22 Q 7.98 4.07 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 23 L 7.88 4.07 0.00 1.90 1.71 0.92 0.53 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 24 S 7.91 4.12 0.00 3.93 4.08 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 25 N 7.97 4.36 0.00 2.93 2.85 0.00 0.00 7.03 9.20 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 26 D 8.18 4.37 0.00 2.85 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 27 V 8.22 3.58 2.20 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 1.07 0.00 0.00 1.03 0.00 0.00 28 N 8.38 4.24 0.00 2.94 2.94 0.00 0.00 7.13 7.29 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 29 A 8.07 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.21 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 3.80 0.00 2.02 2.17 0.00 3.15 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 1.68 0.00 32 S 8.14 4.09 0.00 3.94 3.98 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 0.00 0.00 0.00 33 D 8.26 4.31 0.00 3.00 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 34 A 8.14 4.01 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 35 Q 8.25 3.89 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 36 A 8.13 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.10 3.95 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 38 K 8.18 3.85 0.00 1.91 2.01 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 39 D 8.22 4.37 0.00 2.87 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 40 D 8.27 4.33 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 41 A 8.43 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.10 3.96 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 43 R 8.04 3.76 0.00 2.00 2.12 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 44 A 8.05 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.21 4.37 0.00 2.85 2.88 0.00 0.00 7.13 7.24 0.00 0.00 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 Q 7.92 4.37 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 47 R 8.06 4.00 0.00 1.94 1.99 0.00 3.16 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 48 L 7.98 4.15 0.00 1.87 1.71 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.99 4.43 0.00 2.86 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 50 N 7.82 4.75 0.00 2.73 2.85 0.00 0.00 6.89 7.12 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 51 M 7.78 4.28 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.44 0.00