NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.3460 8.1693 120.6423 54.9706 43.0589 175.8085 6 T 4.5272 8.1262 111.7368 58.6696 71.2948 171.1494 7 E 4.2594 9.6231 124.0169 58.8562 30.7946 177.5836 8 T 4.7877 7.8585 114.3960 61.7384 71.6099 173.1115 9 M 4.8748 9.2098 126.8197 53.0851 35.0152 172.8531 10 P 5.1998 0.0000 0.0000 62.1181 33.4531 174.9797 11 F 5.2566 8.5847 115.7787 55.3827 41.6261 173.4005 12 R 5.2247 8.7433 115.6254 54.8343 32.7092 174.0947 13 M 5.0540 9.2838 120.0056 54.1058 36.0615 173.7435 14 T 5.1438 8.6494 114.8782 60.1268 71.6840 172.8319 15 M 5.0173 9.3741 124.6384 53.7566 35.8882 173.6141 16 E 4.8062 8.4486 122.3265 54.9149 33.1955 174.4311 17 G 3.7806 7.3613 107.6221 46.5005 0.0000 172.0328 18 T 5.2285 8.4515 115.4769 61.6533 72.0307 173.9825 19 V 4.1657 8.6665 125.1676 61.9833 33.6026 174.9995 20 N 4.2458 10.0343 124.9863 54.2341 36.0506 175.4228 21 G 3.7952 8.5537 105.4714 45.4261 0.0000 173.7181 22 H 4.7021 8.1005 118.2332 54.7435 29.1066 174.1208 23 H 5.2974 8.5861 122.5402 55.6519 30.2864 174.5192 24 F 5.3094 8.8444 115.9875 55.8594 41.8954 173.1273 25 K 5.1741 9.3209 118.5307 55.0324 36.3203 175.3153 26 C 5.6840 9.5658 120.6815 58.2763 32.6158 173.1269 27 T 5.2078 8.9984 111.0196 60.1777 72.0658 172.9603 28 G 4.6202 9.2488 109.0946 44.8670 0.0000 171.4122 29 K 4.9909 8.9132 122.0948 54.8883 36.3103 175.5431 30 G 3.6401 8.4230 112.8993 45.8321 0.0000 171.0639 31 E 5.1087 8.4054 116.1202 55.6743 33.3571 174.3110 32 G 4.4067 8.9855 107.0844 46.0870 0.0000 171.7318 33 N 5.3135 8.5746 118.9625 50.6138 39.0989 173.7468 34 P 4.0941 0.0000 0.0000 65.0930 31.5386 177.7947 35 F 4.5864 8.0113 114.6209 58.1218 39.4945 176.1980 36 E 4.2735 8.5029 119.6285 55.6883 30.0028 175.8512 37 G 3.8841 8.0666 106.3873 47.0558 0.0000 173.2262 38 T 4.9185 7.5320 108.3530 59.7933 72.0775 172.5210 39 Q 5.2234 8.2865 118.7773 55.7916 31.3567 172.8721 40 D 5.2000 9.2467 120.0140 53.2866 45.5465 174.3128 41 M 5.1058 8.5356 116.5187 54.3835 34.4946 173.6844 42 K 4.6441 9.1757 119.7334 54.9011 34.7615 175.4974 43 I 5.0653 8.2453 124.1598 59.4316 40.1724 174.3324 44 E 4.5774 9.1623 127.8818 54.2023 32.4914 174.9793 45 V 4.4829 8.4883 127.3351 62.6094 31.1318 175.1883 46 I 4.2888 8.5716 122.7010 62.0490 38.8266 175.9954 47 E 4.6063 7.9432 121.5204 55.5629 33.8118 176.4770 48 G 4.1969 8.7243 110.3411 46.6314 0.0000 173.6806 49 G 3.9316 7.6713 107.8486 43.4075 0.0000 172.1457 50 P 4.2996 0.0000 0.0000 61.6311 31.9059 176.2794 51 L 3.5510 8.4340 121.5508 55.0914 41.6790 175.4500 52 P 4.5795 0.0000 0.0000 62.2900 31.5520 175.3271 53 F 4.8211 6.8034 111.5786 55.6300 40.9147 173.6578 54 A 4.0649 8.7037 124.4873 52.2102 18.4924 178.5413 55 F 4.0633 8.9854 125.4213 61.3855 39.3450 176.6191 56 D 4.4188 8.4207 118.4795 57.3499 40.3354 178.3175 57 I 3.8815 7.4431 112.0221 62.6492 37.9639 177.0820 58 L 4.3486 7.6196 120.3505 54.7990 41.9566 178.2896 59 S 4.0552 7.3593 116.0467 61.9408 62.8525 176.2659 60 T 4.2602 7.8000 105.9645 62.5537 68.6581 174.7381 61 S 4.6199 7.7803 117.3831 58.9221 64.5014 173.9553 62 C 4.3859 7.7173 123.0380 59.9814 27.8531 173.2909 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 5 L 8.17 4.35 0.00 1.79 1.70 0.82 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.13 4.53 4.30 0.00 0.00 0.00 0.00 0.00 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 7 E 9.62 4.26 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 8 T 7.86 4.79 4.27 0.00 0.00 0.00 0.00 0.00 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 9 M 9.21 4.87 0.00 2.13 1.90 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 2.54 2.51 0.00 10 P 0.00 5.20 0.00 2.07 1.97 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 11 F 8.58 5.26 0.00 3.07 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 12 R 8.74 5.22 0.00 1.81 1.91 0.00 3.00 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 13 M 9.28 5.05 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.67 0.00 14 T 8.65 5.14 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 15 M 9.37 5.02 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 16 E 8.45 4.81 0.00 1.80 1.76 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 2.09 2.18 0.00 17 G 7.36 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 0.00 0.00 0.00 18 T 8.45 5.23 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 1.17 0.00 0.00 19 V 8.67 4.17 1.25 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 0.37 0.00 0.00 0.73 0.00 0.00 20 N 10.03 4.25 0.00 2.87 2.88 0.00 0.00 7.35 7.65 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 21 G 8.55 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 0.00 0.00 0.00 22 H 8.10 4.70 0.00 3.54 3.45 0.00 5.61 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.59 5.30 0.00 3.16 3.20 0.00 5.62 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 24 F 8.84 5.31 0.00 3.32 3.22 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 0.00 0.00 0.00 0.00 25 K 9.32 5.17 0.00 1.71 1.71 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.27 1.37 7.81 26 C 9.57 5.68 0.00 2.98 2.94 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 27 T 9.00 5.21 4.28 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 0.00 0.00 0.00 1.24 0.00 0.00 28 G 9.25 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.91 4.99 0.00 1.76 1.50 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.19 1.40 7.81 30 G 8.42 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.41 5.11 0.00 1.98 1.88 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 2.09 2.24 0.00 32 G 8.99 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.57 5.31 0.00 2.84 2.77 0.00 0.00 7.13 7.18 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 34 P 0.00 4.09 0.00 1.06 1.69 0.00 3.85 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 2.07 2.02 0.00 35 F 8.01 4.59 0.00 3.10 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 36 E 8.50 4.27 0.00 1.99 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 0.00 2.27 2.33 0.00 37 G 8.07 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 38 T 7.53 4.92 4.27 0.00 0.00 0.00 0.00 0.00 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 39 Q 8.29 5.22 0.00 2.40 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 40 D 9.25 5.20 0.00 2.64 2.55 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 0.00 0.00 0.00 0.00 41 M 8.54 5.11 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.74 0.00 42 K 9.18 4.64 0.00 1.63 1.71 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.36 7.81 43 I 8.25 5.07 1.76 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.62 1.18 0.00 0.00 44 E 9.16 4.58 0.00 1.97 1.76 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 2.19 2.19 0.00 45 V 8.49 4.48 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 1.00 0.00 0.00 0.91 0.00 0.00 46 I 8.57 4.29 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.80 0.94 0.00 0.00 47 E 7.94 4.61 0.00 2.02 1.87 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 2.32 2.33 0.00 48 G 8.72 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 7.67 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 0.00 0.00 0.00 50 P 0.00 4.30 0.00 2.12 2.02 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 51 L 8.43 3.55 0.00 1.38 1.03 0.53 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.58 0.00 2.02 2.03 0.00 3.43 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 1.80 1.80 0.00 53 F 6.80 4.82 0.00 3.04 2.96 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 0.00 0.00 0.00 54 A 8.70 4.06 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.99 4.06 0.00 3.05 3.05 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 56 D 8.42 4.42 0.00 2.75 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 57 I 7.44 3.88 1.80 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.48 0.90 0.00 0.00 58 L 7.62 4.35 0.00 0.87 1.45 0.73 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.36 4.06 0.00 3.95 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 60 T 7.80 4.26 4.22 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 0.00 0.00 0.00 1.19 0.00 0.00 61 S 7.78 4.62 0.00 4.00 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 62 C 7.72 4.39 0.00 3.16 2.98 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