NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8833 8.3549 109.7358 45.1589 0.0000 173.2245 2 K 4.0566 8.5411 123.5939 53.3858 32.6680 175.3242 3 K 4.4191 8.3030 123.7001 55.7697 35.5307 175.9058 4 S 4.7469 7.9734 114.3205 56.4832 66.4571 174.8630 5 K 3.9761 8.4660 122.0400 59.4099 31.8026 178.6975 6 A 3.9645 7.8656 120.6732 55.3664 18.4292 179.3442 7 T 3.7926 7.6684 113.8276 66.9107 68.5930 176.5837 8 K 3.8440 8.4454 121.6461 59.4464 31.9760 178.9958 9 K 3.9316 7.7575 118.7499 59.4546 31.9831 179.2979 10 R 3.9173 7.9466 118.2679 59.4029 30.0244 178.9325 11 L 3.9510 8.2007 118.5183 57.8480 41.6456 179.3271 12 A 3.9875 7.9260 120.5160 55.1039 18.1892 179.5320 13 K 3.8238 8.2314 117.9770 59.7146 32.0952 178.7449 14 L 3.9644 7.8898 118.0202 58.0819 41.7529 178.7622 15 D 4.4735 8.5618 118.1458 57.4128 40.8979 177.8872 16 N 4.3443 7.9077 116.7117 56.6932 39.0905 176.7103 17 Q 4.1275 8.2840 118.4570 57.6304 29.6104 176.6025 18 N 4.7959 7.5646 120.2058 52.5533 37.8815 174.0022 19 S 4.7860 6.9619 113.5780 55.7579 66.7408 174.1019 20 R 3.8892 8.3777 117.8530 56.3111 29.4854 176.7127 21 V 3.7598 8.3319 119.0077 61.7726 31.1425 173.3851 22 P 3.7857 0.0000 0.0000 60.9516 31.9276 176.3479 23 A 3.9640 9.0897 126.4292 55.3247 18.5618 179.5910 24 W 4.2684 8.2068 112.9619 59.7365 28.2120 178.2729 25 V 3.3048 6.5365 118.5374 65.9344 30.1674 177.8401 26 M 3.9915 7.5472 117.7876 58.4220 31.7800 178.7789 27 L 4.1332 7.8419 118.3176 57.8057 41.7914 179.1642 28 K 4.0105 8.2428 118.6003 59.0427 32.2155 177.7533 29 T 4.4689 7.9794 108.0386 60.2908 68.9110 174.2043 30 D 4.4744 9.1093 119.2765 55.9720 38.9794 174.5629 31 R 3.9663 9.3134 114.4485 57.0439 28.1272 178.1736 32 E 3.8692 8.1818 117.6656 57.7011 29.5706 176.9993 33 V 4.3070 7.2527 117.9961 61.2053 33.2401 174.2702 34 Q 4.2917 8.5924 124.0075 57.0754 31.7843 176.2832 35 R 4.1714 7.6921 115.4913 55.0921 31.2401 176.2962 36 N 4.5144 8.3176 121.4173 52.6156 37.6088 174.9807 37 H 4.5615 8.3459 117.2379 56.2557 28.3085 175.9674 38 K 4.7105 8.4354 119.0057 56.0023 33.1907 176.8276 39 R 4.0492 8.1901 118.1721 55.8119 30.6223 176.3937 40 R 4.4168 8.3510 122.7211 54.4352 31.6609 174.2381 41 H 4.5234 8.5067 125.7812 55.1302 30.8077 176.1329 42 W 4.1629 8.2998 122.6706 59.4909 28.3331 177.5098 43 R 3.8375 5.9848 117.7631 58.5083 29.6804 177.6389 44 R 3.8843 7.8057 114.9751 58.1825 30.1981 176.0592 45 N 4.9659 7.7231 113.7692 51.1461 41.3492 173.1356 46 D 4.7565 8.2456 117.7155 52.7074 43.6420 174.7796 47 T 4.3065 8.4397 116.8230 60.6685 70.0331 174.3906 48 D 4.4509 8.2695 123.6325 55.2117 41.6298 176.4081 49 E 4.3286 8.8042 119.0968 56.8341 28.9235 175.5895 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 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.54 4.06 0.00 1.84 1.76 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.43 7.81 3 K 8.30 4.42 0.00 1.85 1.81 0.00 1.54 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.41 7.81 4 S 7.97 4.75 0.00 4.05 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 5 K 8.47 3.98 0.00 1.84 1.85 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.51 7.81 6 A 7.87 3.96 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 7.67 3.79 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 1.21 0.00 0.00 8 K 8.45 3.84 0.00 1.87 1.96 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.49 7.81 9 K 7.76 3.93 0.00 1.99 1.84 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.73 7.81 10 R 7.95 3.92 0.00 2.02 2.00 0.00 3.37 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 1.66 1.89 0.00 11 L 8.20 3.95 0.00 1.82 1.73 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.93 3.99 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 8.23 3.82 0.00 1.84 2.01 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.49 7.81 14 L 7.89 3.96 0.00 1.86 1.75 0.93 1.40 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 15 D 8.56 4.47 0.00 2.75 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 4.34 0.00 2.91 2.95 0.00 0.00 7.28 7.20 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 17 Q 8.28 4.13 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.31 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 18 N 7.56 4.80 0.00 2.83 2.96 0.00 0.00 6.93 7.48 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 19 S 6.96 4.79 0.00 3.96 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 20 R 8.38 3.89 0.00 1.90 1.98 0.00 3.02 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 21 V 8.33 3.76 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 0.66 0.00 0.00 0.88 0.00 0.00 22 P 0.00 3.79 0.00 1.10 1.96 0.00 3.57 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.70 0.00 23 A 9.09 3.96 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 24 W 8.21 4.27 0.00 3.62 3.33 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 25 V 6.54 3.30 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 -0.33 0.00 0.00 26 M 7.55 3.99 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.65 0.00 27 L 7.84 4.13 0.00 1.90 1.76 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.24 4.01 0.00 2.00 2.15 0.00 2.15 0.00 0.00 2.05 0.00 0.00 3.18 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.56 1.58 7.81 29 T 7.98 4.47 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 1.28 0.00 0.00 30 D 9.11 4.47 0.00 2.79 2.77 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 0.00 0.00 0.00 0.00 31 R 9.31 3.97 0.00 2.05 2.04 0.00 3.12 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 32 E 8.18 3.87 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 33 V 7.25 4.31 2.01 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 0.72 0.00 0.00 0.90 0.00 0.00 34 Q 8.59 4.29 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.62 0.00 0.00 0.00 0.00 0.00 2.21 2.46 0.00 35 R 7.69 4.17 0.00 1.57 1.73 0.00 3.21 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 1.57 1.62 0.00 36 N 8.32 4.51 0.00 2.66 2.68 0.00 0.00 7.22 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 8.35 4.56 0.00 3.18 3.28 0.00 5.72 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.44 4.71 0.00 1.78 1.74 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.40 7.81 39 R 8.19 4.05 0.00 1.80 1.87 0.00 3.13 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 1.62 1.81 0.00 40 R 8.35 4.42 0.00 1.73 1.83 0.00 3.26 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 41 H 8.51 4.52 0.00 3.16 3.02 0.00 5.92 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.30 4.16 0.00 3.51 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 43 R 5.98 3.84 0.00 0.67 1.13 0.00 2.54 0.00 0.00 2.90 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.36 0.00 44 R 7.81 3.88 0.00 1.74 1.88 0.00 3.08 0.00 0.00 3.03 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.34 0.00 45 N 7.72 4.97 0.00 3.03 2.73 0.00 0.00 6.69 8.18 0.00 0.00 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 8.25 4.76 0.00 2.57 2.50 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 0.00 47 T 8.44 4.31 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 1.24 0.00 0.00 48 D 8.27 4.45 0.00 2.70 2.66 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 49 E 8.80 4.33 0.00 2.02 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 0.00 2.15 2.21 0.00