NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8638 8.3544 109.7332 45.9423 0.0000 171.6888 2 S 4.0695 7.3125 126.4571 57.8730 68.0259 175.3276 3 H 4.6913 8.8259 128.2295 54.9734 28.4401 174.7074 4 T 4.6490 7.9520 120.0999 61.5384 70.7937 174.4132 5 S 4.7522 8.1548 117.1339 55.7534 65.8192 173.2956 6 P 4.4792 0.0000 0.0000 62.3418 32.8696 174.5993 7 D 4.5326 8.5321 119.8388 53.9403 40.5665 177.0853 8 V 3.9070 8.1291 125.5952 60.4798 30.5556 174.6886 9 D 4.6799 8.1268 127.5172 53.1052 39.9793 177.3456 10 L 4.0333 8.3352 126.2459 58.0361 41.0657 179.4677 11 G 3.5100 8.0379 106.2305 46.8706 0.0000 174.2254 12 D 4.7043 7.9747 118.7511 56.1083 42.1859 178.0366 13 I 3.8384 7.7221 112.4123 64.9846 37.7355 177.3721 14 S 4.2174 8.0125 117.4252 56.0439 62.2491 175.3999 15 G 4.0051 7.8745 112.1365 46.5442 0.0000 174.2857 16 I 4.1355 7.1697 112.7491 61.6742 38.2043 177.1188 17 N 4.1623 8.2614 119.1304 57.1053 38.7643 176.2862 18 A 4.0570 7.9892 121.0978 55.1494 18.4635 179.6806 19 S 4.0973 7.8569 113.5066 61.4933 63.0453 176.6024 20 V 3.5440 8.2443 121.4115 66.1633 31.2745 178.2847 21 V 3.6062 7.6123 117.3102 65.9225 31.3493 177.6773 22 N 4.2995 8.0251 115.7871 56.4964 38.4757 177.2286 23 I 3.8594 8.2730 120.2533 63.9351 38.0325 177.6464 24 Q 3.8960 8.1651 120.4920 59.2165 28.7900 178.3683 25 K 4.0264 7.9593 118.8284 58.9102 32.4221 178.2318 26 E 4.0388 8.0891 120.0499 59.3038 29.5014 178.3737 27 I 3.6604 7.7085 118.6651 64.3781 38.0310 177.3088 28 D 4.0992 7.9701 119.1107 57.5727 40.7242 178.9873 29 R 3.9276 8.0512 119.1126 59.2206 30.0139 178.6010 30 L 4.0379 7.6727 118.3854 57.4093 41.9042 178.2519 31 N 4.2164 9.0413 118.2737 57.1830 38.8054 176.7559 32 E 4.0557 8.3167 119.8080 59.0719 29.5120 179.6133 33 V 3.6103 7.6383 118.8781 64.8939 31.2521 178.4131 34 A 4.0245 8.7480 121.7756 54.4682 18.1539 179.7466 35 K 4.0332 7.7807 116.7521 59.7752 32.0537 179.0368 36 N 4.3220 8.2909 117.2221 56.5104 38.9598 176.8828 37 L 3.9554 7.9559 120.4328 57.9362 41.5667 178.8529 38 N 4.2873 8.8133 116.7106 56.6617 38.9925 176.1572 39 E 4.0408 8.0450 120.6346 59.5586 29.7092 178.8705 40 S 4.2971 7.8710 115.0145 61.8190 62.8809 176.9014 41 L 4.1156 7.8568 121.2139 57.2714 41.4156 179.3851 42 I 3.7995 8.2812 113.8530 63.8509 37.4008 177.9388 43 D 4.3325 7.8355 120.9448 57.2263 40.8117 178.4844 44 L 4.0092 8.0019 119.6532 59.2921 39.9003 179.1926 45 Q 4.0102 7.7913 117.9626 58.6885 28.8747 177.8358 46 E 4.2244 8.0563 119.5319 58.4665 29.5062 178.3786 47 L 3.9575 8.6929 119.7715 57.3100 41.8321 178.6093 48 G 4.0160 7.8797 104.3111 45.1723 0.0000 173.8746 49 K 4.2131 7.4546 120.2130 56.2933 33.5528 176.3635 50 Y 4.3966 7.7369 118.0596 59.0909 40.3194 177.8555 51 E 4.0938 8.5643 118.5108 59.1686 29.3685 177.5267 52 Q 4.5231 7.7215 115.1531 55.9875 28.8172 176.8566 53 Y 3.5369 8.4626 122.3493 60.3663 38.8941 176.7688 54 I 4.0278 7.1742 114.0097 60.4630 38.2903 176.0538 55 K 4.0940 8.3142 122.6298 57.1948 32.2914 175.7026 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 S 7.31 4.07 0.00 3.77 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.83 4.69 0.00 3.33 3.23 0.00 5.69 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 7.95 4.65 4.25 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 1.22 0.00 0.00 5 S 8.15 4.75 0.00 3.92 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 6 P 0.00 4.48 0.00 2.20 2.15 0.00 3.76 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 1.98 1.98 0.00 7 D 8.53 4.53 0.00 2.69 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.13 3.91 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 0.73 0.00 0.00 0.93 0.00 0.00 9 D 8.13 4.68 0.00 2.72 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.34 4.03 0.00 1.87 1.92 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.04 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 4.70 0.00 2.64 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 13 I 7.72 3.84 1.87 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 1.62 0.53 0.93 0.00 0.00 14 S 8.01 4.22 0.00 3.99 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.87 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 16 I 7.17 4.14 1.87 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 0.85 0.94 0.00 0.00 17 N 8.26 4.16 0.00 2.85 2.88 0.00 0.00 7.11 8.55 0.00 0.00 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 7.99 4.06 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 19 S 7.86 4.10 0.00 4.07 3.92 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 20 V 8.24 3.54 2.19 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 0.99 0.00 0.00 0.95 0.00 0.00 21 V 7.61 3.61 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 0.97 0.00 0.00 0.96 0.00 0.00 22 N 8.03 4.30 0.00 3.07 2.85 0.00 0.00 6.66 6.78 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 23 I 8.27 3.86 1.87 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 1.22 1.00 0.00 0.00 24 Q 8.17 3.90 0.00 2.38 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 25 K 7.96 4.03 0.00 1.80 1.96 0.00 2.06 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.59 7.81 26 E 8.09 4.04 0.00 2.30 2.03 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 2.30 2.31 0.00 27 I 7.71 3.66 1.87 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 1.18 0.99 0.00 0.00 28 D 7.97 4.10 0.00 2.98 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 29 R 8.05 3.93 0.00 2.08 1.91 0.00 3.08 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 30 L 7.67 4.04 0.00 1.85 1.69 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 31 N 9.04 4.22 0.00 2.81 2.83 0.00 0.00 7.25 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.32 4.06 0.00 2.18 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 2.33 2.31 0.00 33 V 7.64 3.61 2.29 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 0.83 0.00 0.00 0.93 0.00 0.00 34 A 8.75 4.02 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 35 K 7.78 4.03 0.00 1.93 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.45 7.81 36 N 8.29 4.32 0.00 2.76 2.81 0.00 0.00 7.30 6.28 0.00 0.00 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 L 7.96 3.96 0.00 1.87 1.70 0.92 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.81 4.29 0.00 2.83 2.96 0.00 0.00 7.25 7.53 0.00 0.00 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 E 8.05 4.04 0.00 2.32 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 2.31 2.35 0.00 40 S 7.87 4.30 0.00 3.96 3.92 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 41 L 7.86 4.12 0.00 1.81 1.72 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.28 3.80 1.88 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 1.50 0.59 0.96 0.00 0.00 43 D 7.84 4.33 0.00 2.92 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 44 L 8.00 4.01 0.00 1.92 1.96 0.98 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 7.79 4.01 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.02 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 46 E 8.06 4.22 0.00 2.08 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 2.33 2.38 0.00 47 L 8.69 3.96 0.00 1.91 1.73 0.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.88 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.45 4.21 0.00 1.92 1.94 0.00 1.93 0.00 0.00 1.84 0.00 0.00 3.08 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.56 7.81 50 Y 7.74 4.40 0.00 3.07 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 51 E 8.56 4.09 0.00 2.27 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 0.00 2.39 2.31 0.00 52 Q 7.72 4.52 0.00 2.20 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 53 Y 8.46 3.54 0.00 2.63 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 7.17 4.03 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.74 1.00 0.00 0.00 55 K 8.31 4.09 0.00 1.73 1.65 0.00 1.42 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.11 1.48 7.81