NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.2997 8.1127 119.7055 56.0395 31.5946 173.6887 5 E 4.8053 8.2096 119.5514 53.1918 32.4734 173.6311 6 C 4.2064 9.6743 127.4708 59.5155 32.3374 173.5004 7 D 4.4962 8.4300 126.6697 55.9923 39.8834 176.0031 8 Y 4.4667 7.4511 118.2168 58.6209 41.3461 176.2173 9 C 3.9662 8.0252 114.5760 58.9096 30.8269 175.4566 10 G 3.8794 8.3425 108.1598 45.1096 0.0000 173.5716 11 T 4.3345 7.6277 109.5014 61.3488 70.4834 173.4186 12 D 4.8638 8.4975 122.3821 54.3901 41.7090 176.3850 13 I 4.0982 8.3322 124.8564 60.1192 37.6195 175.6392 14 E 3.8620 9.0042 128.8423 55.6347 29.6938 174.8632 15 P 4.2464 0.0000 0.0000 64.4263 31.5202 175.6320 16 G 3.9016 9.2078 106.3756 46.5566 0.0000 173.3390 17 T 4.4643 7.8912 113.1466 62.9314 72.5633 174.5108 18 G 4.1335 8.9504 108.6319 45.7819 0.0000 172.5892 19 T 4.8073 8.4088 113.9376 61.7077 72.6366 173.1975 20 M 5.0946 8.7161 123.9438 53.9039 34.3839 174.4266 21 F 4.8461 9.3272 129.6629 57.1450 41.4106 174.4449 22 V 4.3534 7.6014 126.1925 61.3906 32.3198 175.3045 23 H 4.1021 8.7710 126.0188 54.8972 29.5393 176.6715 24 K 3.8246 8.7876 122.1951 59.8173 31.8292 177.9531 25 D 4.3879 7.9785 115.8380 54.4491 39.3959 176.6961 26 G 3.9468 7.9134 106.3915 45.0037 0.0000 174.0409 27 A 4.2436 9.8135 122.8066 52.6003 19.6872 176.5728 28 T 5.0437 8.3577 115.0318 62.0918 72.2118 174.0993 29 T 4.6574 8.7921 121.1607 62.2404 72.4238 172.6507 30 H 5.0539 9.7048 125.3239 55.0200 30.5175 174.7348 31 F 5.2758 9.5577 122.0035 55.9137 41.6598 176.2857 32 C 4.4085 9.1382 116.6346 60.1036 30.6580 173.7056 33 S 4.6234 7.6070 114.2139 56.2834 66.3451 175.5064 34 S 4.8091 8.4012 118.5167 60.8241 62.7193 176.1201 35 K 3.7514 8.0352 122.7954 59.6775 31.7639 178.1944 36 C 4.2677 7.8858 115.5382 62.8239 28.1869 175.5478 37 E 2.6675 7.5841 119.5287 59.4950 28.6976 179.6291 38 N 4.1934 8.2635 116.3135 56.4140 38.3921 177.3314 39 N 4.4076 8.1463 117.5963 55.9939 38.4918 177.4818 40 A 4.0743 7.7638 122.5260 55.3118 18.3450 179.4350 41 D 3.9026 7.8917 115.8883 56.9626 40.8939 178.2978 42 L 4.2808 7.3313 117.5417 55.2241 41.8798 177.8127 43 G 3.9874 8.6926 108.1983 45.2737 0.0000 174.0185 44 R 4.2973 7.4646 118.1159 55.6193 31.0523 175.6342 45 E 4.6196 8.4817 119.5597 54.3095 31.6275 176.9390 46 A 3.4053 8.1916 126.7133 55.3184 18.3947 179.7274 47 R 3.7963 7.7048 113.3030 59.0289 30.1741 177.1795 48 N 4.5257 8.2505 113.1848 53.1022 39.0548 174.7640 49 L 4.4720 7.2774 120.2844 52.6842 41.9717 177.0846 50 E 3.9366 8.8021 124.7943 58.5468 29.5467 178.6055 51 W 4.4839 7.5651 114.0637 57.9284 29.1155 176.8143 52 T 3.6697 7.0421 117.9604 63.0403 68.2835 175.0103 53 D 4.2885 8.7765 126.2718 57.8751 40.7703 177.7905 54 T 3.7262 7.6199 114.6608 66.7972 68.8020 174.9622 55 A 3.9866 7.7468 124.0318 55.3495 18.6927 177.6288 56 R 4.0878 7.9337 118.5202 56.5761 30.0770 176.3786 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 4 R 8.11 4.30 0.00 1.89 1.89 0.00 3.02 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 5 E 8.21 4.81 0.00 1.94 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 0.00 2.17 2.40 0.00 6 C 9.67 4.21 0.00 3.08 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 7 D 8.43 4.50 0.00 2.67 2.64 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 8 Y 7.45 4.47 0.00 2.82 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 9 C 8.03 3.97 0.00 3.06 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 10 G 8.34 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 11 T 7.63 4.33 4.29 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 1.32 0.00 0.00 12 D 8.50 4.86 0.00 2.61 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 13 I 8.33 4.10 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.59 0.96 0.00 0.00 14 E 9.00 3.86 0.00 1.93 1.93 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 2.32 2.40 0.00 15 P 0.00 4.25 0.00 2.22 2.08 0.00 3.94 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 16 G 9.21 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.89 4.46 4.55 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 1.25 0.00 0.00 18 G 8.95 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.41 4.81 4.48 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 1.29 0.00 0.00 20 M 8.72 5.09 0.00 1.97 1.83 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 2.02 2.40 0.00 21 F 9.33 4.85 0.00 3.29 3.20 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 22 V 7.60 4.35 1.85 0.00 0.00 0.00 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 0.84 0.00 0.00 23 H 8.77 4.10 0.00 3.30 3.22 0.00 5.69 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.79 3.82 0.00 1.74 1.88 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.45 7.81 25 D 7.98 4.39 0.00 2.82 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 26 G 7.91 3.95 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 0.00 0.00 0.00 27 A 9.81 4.24 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.36 5.04 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 1.21 0.00 0.00 29 T 8.79 4.66 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 0.64 0.00 0.00 30 H 9.70 5.05 0.00 3.07 3.26 0.00 5.75 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.56 5.28 0.00 2.98 3.06 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 0.00 0.00 0.00 32 C 9.14 4.41 0.00 3.17 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.61 4.62 0.00 4.05 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 34 S 8.40 4.81 0.00 3.98 4.10 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 35 K 8.04 3.75 0.00 1.75 1.84 0.00 1.39 0.00 0.00 1.42 0.00 0.00 2.13 0.00 0.00 2.30 0.00 0.00 0.00 0.00 1.33 1.33 7.81 36 C 7.89 4.27 0.00 3.44 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 37 E 7.58 2.67 0.00 1.69 1.24 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 1.47 2.24 0.00 38 N 8.26 4.19 0.00 2.79 2.78 0.00 0.00 7.12 6.70 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 39 N 8.15 4.41 0.00 3.17 3.15 0.00 0.00 6.92 6.88 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 40 A 7.76 4.07 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.89 3.90 0.00 2.66 2.65 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 0.00 0.00 0.00 0.00 42 L 7.33 4.28 0.00 1.86 1.74 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.69 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.46 4.30 0.00 2.12 1.98 0.00 3.25 0.00 0.00 3.37 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 45 E 8.48 4.62 0.00 1.96 1.79 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 2.34 2.29 0.00 46 A 8.19 3.41 0.43 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 47 R 7.70 3.80 0.00 1.72 1.92 0.00 3.13 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 48 N 8.25 4.53 0.00 2.73 2.83 0.00 0.00 6.91 7.39 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 49 L 7.28 4.47 0.00 1.22 0.91 1.18 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.80 3.94 0.00 2.02 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 2.31 2.32 0.00 51 W 7.57 4.48 0.00 3.58 3.23 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 0.00 52 T 7.04 3.67 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 53 D 8.78 4.29 0.00 2.81 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 54 T 7.62 3.73 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 55 A 7.75 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.93 4.09 0.00 1.92 1.84 0.00 3.21 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00