NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3061 8.1631 117.3743 63.0882 69.1799 173.5291 2 G 3.5648 8.4291 115.9283 44.7549 0.0000 171.2798 3 A 4.2791 8.5883 123.1167 53.7019 21.2835 177.0192 4 G 4.4300 7.4079 111.4409 44.6948 0.0000 175.8244 5 T 3.8929 9.0816 121.5915 65.8784 68.2963 174.0273 6 P 4.2590 0.0000 0.0000 65.8127 31.0711 177.8700 7 S 4.2768 8.0214 112.9502 59.4949 63.1803 175.8161 8 Q 3.8379 8.0212 120.1278 57.8895 28.7648 178.2533 9 G 3.6630 7.4716 105.7505 47.5119 0.0000 174.6275 10 K 4.1349 7.3677 117.5949 57.1329 32.3803 177.6371 11 K 4.3054 7.5086 119.5484 55.8088 30.5007 175.9626 12 N 5.0153 8.2293 118.6324 52.7190 38.4978 175.0948 13 T 4.2781 7.8404 114.5802 63.6213 69.6295 174.3304 14 T 4.4536 8.2909 120.1278 62.3279 69.6599 172.6593 15 T 4.2006 7.6263 115.7487 63.1662 70.9136 173.2345 16 H 4.9438 7.8278 120.2765 54.8124 29.8869 174.3479 17 T 4.8183 9.3463 113.3413 58.9459 72.9172 173.0372 18 K 4.2325 8.8135 122.8043 57.5977 32.7290 175.2192 19 C 4.3491 9.3669 128.6292 58.4187 32.1557 174.3506 20 R 3.7352 8.5857 126.6588 59.0377 29.9433 177.1549 21 R 3.8294 7.3546 116.6955 57.3928 30.4225 176.2522 22 C 4.5579 8.0090 109.2167 57.2199 31.2618 174.7692 23 G 3.9388 8.2858 108.7364 45.0677 0.0000 173.4882 24 E 4.2149 7.6994 119.1740 55.3711 31.0315 176.5333 25 K 4.6507 8.2357 125.0359 55.8180 29.8635 176.4209 26 S 4.7551 7.8849 113.9059 57.7889 66.7437 173.9178 27 Y 4.3738 8.8561 123.7969 57.2704 39.1730 174.3270 28 H 4.4872 8.8917 128.7641 56.0202 29.4949 175.4964 29 T 3.6966 9.0954 120.5270 63.5569 66.8782 174.4914 30 K 4.3225 8.0585 118.7332 58.1183 33.3789 177.4005 31 K 4.1209 7.9228 115.9519 55.7530 33.0826 176.3206 32 K 3.1348 8.7292 118.8073 57.0211 30.0592 175.3251 33 V 4.5401 6.8440 116.3226 61.1464 34.8587 173.1519 34 C 5.1242 9.5691 128.2206 58.5551 31.7822 174.1815 35 S 4.4660 8.7298 122.0482 59.9047 63.2847 175.0798 36 S 4.4955 8.2610 115.5336 60.2820 62.8645 174.2618 37 C 4.5401 8.1830 112.2307 57.4386 30.3747 175.0939 38 G 4.0005 8.5220 109.9445 45.1168 0.0000 173.4069 39 F 4.4283 8.1377 121.9445 60.3658 39.6105 175.0810 40 G 4.0142 8.7626 114.5139 46.2124 0.0000 173.8069 41 K 4.3215 8.3708 119.2987 57.3167 33.2418 176.1529 42 S 4.7851 7.6158 110.8614 55.9846 65.9530 173.8708 43 A 4.1626 8.5959 124.7140 54.9365 18.5076 178.6906 44 K 4.2852 7.7054 113.8278 55.9979 32.9978 176.5949 45 R 4.3393 8.2079 120.5698 55.6224 30.8416 176.5724 46 R 3.8248 8.5559 125.4597 56.9673 30.4340 175.2000 47 D 4.5291 7.6071 124.2216 53.4329 44.6681 173.8449 48 Y 4.5403 8.4365 120.9741 56.3102 41.6885 176.3202 49 E 4.0096 8.6508 122.7436 58.6003 29.8472 178.3909 50 W 4.6577 7.4471 113.7563 57.1919 28.4636 176.6725 51 Q 4.4192 7.5384 117.3994 56.9526 28.2951 175.4969 52 S 4.7048 7.5215 110.7301 56.2984 66.4575 174.1236 53 K 3.9909 8.6199 120.3372 56.5203 32.4324 177.5567 54 A 4.0110 8.9949 127.1154 55.6440 18.1734 179.8895 55 G 4.0295 7.8052 102.0552 45.3547 0.0000 173.2828 56 E 4.2823 8.0104 126.2104 56.4397 30.0527 174.5061 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 T 8.16 4.31 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 2 G 8.43 3.56 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 0.00 0.00 0.00 3 A 8.59 4.28 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 4 G 7.41 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 9.08 3.89 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 6 P 0.00 4.26 0.00 2.21 2.31 0.00 3.60 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 2.20 1.99 0.00 7 S 8.02 4.28 0.00 4.11 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 8 Q 8.02 3.84 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.82 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 9 G 7.47 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.37 4.13 0.00 1.73 1.86 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.40 7.81 11 K 7.51 4.31 0.00 1.86 1.80 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.37 7.81 12 N 8.23 5.02 0.00 2.76 2.81 0.00 0.00 6.30 7.71 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 13 T 7.84 4.28 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 14 T 8.29 4.45 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 1.20 0.00 0.00 15 T 7.63 4.20 3.58 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 1.12 0.00 0.00 16 H 7.83 4.94 0.00 3.09 3.49 0.00 5.64 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 17 T 9.35 4.82 4.33 0.00 0.00 0.00 0.00 0.00 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 18 K 8.81 4.23 0.00 1.80 1.82 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.53 7.81 19 C 9.37 4.35 0.00 3.16 2.89 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 20 R 8.59 3.74 0.00 1.62 1.62 0.00 3.19 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 21 R 7.35 3.83 0.00 0.67 1.41 0.00 3.18 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.28 0.00 22 C 8.01 4.56 0.00 3.05 2.95 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 0.00 0.00 0.00 23 G 8.29 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 24 E 7.70 4.21 0.00 1.95 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 2.40 2.27 0.00 25 K 8.24 4.65 0.00 1.80 1.78 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.52 7.81 26 S 7.88 4.76 0.00 3.87 3.87 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 0.00 0.00 0.00 27 Y 8.86 4.37 0.00 3.10 3.12 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 0.00 0.00 0.00 0.00 28 H 8.89 4.49 0.00 3.22 3.07 0.00 5.84 0.00 0.00 0.00 0.00 6.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 9.10 3.70 4.26 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 1.18 0.00 0.00 30 K 8.06 4.32 0.00 1.88 1.84 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.40 7.81 31 K 7.92 4.12 0.00 1.56 1.73 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.50 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.20 0.94 7.81 32 K 8.73 3.13 0.00 1.71 1.90 0.00 1.76 0.00 0.00 1.47 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.50 7.81 33 V 6.84 4.54 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 1.04 0.00 0.00 0.96 0.00 0.00 34 C 9.57 5.12 0.00 3.37 3.15 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 0.00 0.00 0.00 0.00 35 S 8.73 4.47 0.00 4.13 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 36 S 8.26 4.50 0.00 3.91 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 37 C 8.18 4.54 0.00 3.14 3.15 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 0.00 0.00 0.00 0.00 38 G 8.52 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.14 4.43 0.00 2.98 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 40 G 8.76 4.01 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 0.00 0.00 0.00 41 K 8.37 4.32 0.00 1.71 2.02 0.00 1.81 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.38 7.81 42 S 7.62 4.79 0.00 3.97 3.79 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 43 A 8.60 4.16 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.71 4.29 0.00 1.74 1.71 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.45 7.81 45 R 8.21 4.34 0.00 1.64 1.81 0.00 3.35 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 46 R 8.56 3.82 0.00 1.91 1.97 0.00 3.44 0.00 0.00 3.40 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 47 D 7.61 4.53 0.00 2.63 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 0.00 0.00 0.00 0.00 48 Y 8.44 4.54 0.00 1.45 1.43 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 0.00 0.00 0.00 0.00 49 E 8.65 4.01 0.00 2.03 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 2.37 2.25 0.00 50 W 7.45 4.66 0.00 3.48 3.21 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 0.00 0.00 0.00 51 Q 7.54 4.42 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.70 0.00 0.00 0.00 0.00 0.00 1.96 1.53 0.00 52 S 7.52 4.70 0.00 3.97 3.78 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 53 K 8.62 3.99 0.00 1.98 1.80 0.00 1.74 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.56 1.41 7.81 54 A 8.99 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 55 G 7.81 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 56 E 8.01 4.28 0.00 1.93 1.89 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 2.21 2.22 0.00