NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8594 8.3549 109.7360 45.3481 0.0000 172.9132 2 K 4.2694 8.3505 118.8494 52.4488 33.2058 174.9585 3 K 4.3506 8.3067 123.9593 55.9040 35.1892 176.8207 4 S 4.6181 8.0841 115.9877 56.9143 66.3689 175.0093 5 K 3.9103 8.3900 121.0294 59.5545 31.8690 178.3872 6 A 3.9525 7.8973 120.5156 55.4577 18.3746 179.3369 7 T 3.8103 7.6395 114.1087 66.8523 68.5117 176.5480 8 K 3.8944 8.1360 121.2291 59.5150 32.1926 178.8970 9 K 3.9687 7.9669 118.6838 59.5215 31.9132 179.5958 10 R 3.9547 8.0864 118.3191 59.2550 30.0270 179.0984 11 L 3.9833 8.2323 118.7597 57.4933 41.5458 179.3183 12 A 3.9650 8.1774 120.8937 55.0760 18.3812 179.4109 13 K 3.8078 8.0353 117.8608 59.8562 32.0610 178.7140 14 L 4.1873 7.8235 117.7107 58.0823 41.8776 178.8266 15 D 4.4689 8.2308 117.8410 57.2748 41.0123 177.8571 16 N 4.3619 8.1548 117.7269 56.7036 38.8225 176.7571 17 Q 4.1897 8.4265 118.2031 57.8237 28.7410 176.8756 18 N 4.7805 7.5244 117.3134 53.0552 39.1394 174.4628 19 S 4.5587 7.3793 114.5223 56.9003 64.9179 173.1130 20 R 4.3801 7.9627 120.1490 54.3324 31.2397 175.7068 21 V 3.5559 8.0834 122.2785 61.8658 32.0065 174.1634 22 P 4.2433 0.0000 0.0000 62.9278 31.8227 176.7049 23 A 3.9607 8.9370 122.8600 55.4530 18.1124 180.2101 24 W 4.2704 8.3206 114.4199 59.7730 27.9703 178.4630 25 V 3.0332 6.7631 118.6354 65.3265 30.7378 178.0586 26 M 4.0102 7.7338 118.9188 58.2853 31.8140 178.6079 27 L 4.0196 7.8095 118.6679 57.7111 41.7474 179.3067 28 K 4.2147 8.4520 118.5967 58.3932 32.1988 177.7721 29 T 4.4693 7.1994 107.4277 60.3350 69.3870 173.3691 30 D 4.3060 8.5880 119.3660 55.3457 39.2546 170.3311 31 E 3.7630 7.9276 122.9737 55.7517 30.2099 174.6486 *35 R 3.8375 8.2988 120.1227 56.0507 30.8619 174.7524 36 N 4.6394 8.2169 121.2677 52.0682 38.8297 174.4345 37 H 4.5143 8.4799 122.0147 57.0777 29.0365 176.4382 38 K 4.5453 7.9836 118.6370 55.9299 32.2088 176.4441 39 R 3.9609 7.5054 118.3496 56.2587 30.1791 176.3126 40 R 4.4541 8.3672 122.4074 54.5254 32.3158 173.9089 41 H 4.6086 8.6294 125.8062 54.8930 30.7902 175.9375 42 W 4.1768 8.5315 123.3319 59.3745 28.2560 177.4023 43 R 3.6825 6.0328 117.7892 58.5241 29.6817 177.6867 44 R 3.9108 7.6640 114.7689 58.0951 30.2718 176.1416 45 N 4.9431 7.8848 114.2055 51.2642 41.1033 173.2567 46 D 4.7422 8.1928 117.7429 52.7918 43.9239 175.1635 47 T 4.3390 8.3357 116.3686 60.5647 70.4385 173.4353 48 D 4.6022 8.1569 121.9843 53.9522 42.3667 176.8116 49 E 4.1557 8.6632 118.4251 57.0376 28.8798 174.9335 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 G 8.35 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.35 4.27 0.00 1.81 1.74 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.43 7.81 3 K 8.31 4.35 0.00 1.86 1.80 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.41 7.81 4 S 8.08 4.62 0.00 4.06 4.05 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 5 K 8.39 3.91 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.51 7.81 6 A 7.90 3.95 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 7 T 7.64 3.81 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 8 K 8.14 3.89 0.00 1.94 1.99 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 9 K 7.97 3.97 0.00 2.03 1.85 0.00 1.72 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 1.74 7.81 10 R 8.09 3.95 0.00 2.06 1.98 0.00 3.36 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 1.65 1.81 0.00 11 L 8.23 3.98 0.00 1.81 1.72 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.18 3.97 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.04 3.81 0.00 1.86 2.00 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 14 L 7.82 4.19 0.00 1.84 1.75 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.23 4.47 0.00 2.82 2.87 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 16 N 8.15 4.36 0.00 2.86 2.96 0.00 0.00 7.21 6.87 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 17 Q 8.43 4.19 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.16 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 18 N 7.52 4.78 0.00 3.00 2.90 0.00 0.00 7.13 7.89 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 19 S 7.38 4.56 0.00 3.97 3.89 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 7.96 4.38 0.00 1.78 1.84 0.00 3.23 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 1.51 1.56 0.00 21 V 8.08 3.56 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 0.69 0.00 0.00 0.84 0.00 0.00 22 P 0.00 4.24 0.00 1.96 2.25 0.00 3.58 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.89 0.00 23 A 8.94 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 24 W 8.32 4.27 0.00 3.63 3.34 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 25 V 6.76 3.03 1.70 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 0.69 0.00 0.00 -0.66 0.00 0.00 26 M 7.73 4.01 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.78 0.00 27 L 7.81 4.02 0.00 1.91 1.77 0.99 0.62 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 28 K 8.45 4.21 0.00 2.02 1.98 0.00 2.15 0.00 0.00 2.10 0.00 0.00 3.21 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.54 1.56 7.81 29 T 7.20 4.47 4.21 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 1.23 0.00 0.00 30 D 8.59 4.31 0.00 2.80 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 31 E 7.93 3.76 0.00 2.14 1.97 0.00 0.00 0.00 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 2.25 0.00 *35 R 8.30 3.84 0.00 1.71 1.64 0.00 3.20 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 36 N 8.22 4.64 0.00 2.63 2.65 0.00 0.00 7.23 7.89 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 37 H 8.48 4.51 0.00 3.16 3.33 0.00 5.92 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.98 4.55 0.00 1.88 1.80 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.39 7.81 39 R 7.51 3.96 0.00 1.83 1.88 0.00 3.12 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 40 R 8.37 4.45 0.00 1.72 1.80 0.00 3.26 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 41 H 8.63 4.61 0.00 3.16 3.01 0.00 5.93 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 42 W 8.53 4.18 0.00 3.53 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 43 R 6.03 3.68 0.00 0.67 1.22 0.00 2.46 0.00 0.00 2.88 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.18 0.00 44 R 7.66 3.91 0.00 1.75 1.90 0.00 3.31 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 45 N 7.88 4.94 0.00 2.91 2.74 0.00 0.00 6.68 7.77 0.00 0.00 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 D 8.19 4.74 0.00 2.57 2.48 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 47 T 8.34 4.34 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 1.25 0.00 0.00 48 D 8.16 4.60 0.00 2.70 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 8.66 4.16 0.00 2.11 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 2.17 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.