NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2797 8.2649 123.5823 52.5572 19.2777 176.8933 2 D 4.6121 8.0477 128.3414 53.4655 40.1490 177.4283 3 K 4.5244 7.2055 119.7400 53.9141 33.8188 174.8276 4 P 4.7376 0.0000 0.0000 63.1836 31.7923 177.2712 5 D 4.2924 7.7686 118.5422 57.2693 38.9798 178.2296 6 L 4.0184 8.1035 122.2454 57.7023 41.9959 179.0131 7 G 3.6748 8.2550 106.1507 47.1849 0.0000 175.2680 8 E 4.0162 8.1954 120.5887 58.8012 29.5117 179.7110 9 I 3.8361 7.9968 118.3460 64.3400 38.1873 177.4155 10 N 5.0323 8.1999 118.7029 56.1285 38.3103 177.2747 11 S 4.1135 8.3147 114.2376 61.2277 62.4745 175.9378 12 F 4.1971 8.3689 123.7179 61.1216 39.1418 176.8392 13 D 3.4632 8.2352 118.9653 56.3749 39.3130 178.8681 14 K 3.9541 7.9700 120.0935 58.6249 31.8477 178.6341 15 A 4.0297 8.0350 122.2073 54.1893 18.4226 179.0391 16 K 3.6519 8.1732 116.7141 59.6725 32.1993 178.9535 17 L 4.4602 7.7309 121.5056 57.5009 41.9469 179.1344 18 K 3.9069 7.9558 118.4389 59.4300 32.1659 179.2027 19 K 3.8481 8.2404 120.1401 59.5643 31.9136 178.9038 20 T 3.9098 7.8889 110.3521 64.5561 69.0588 176.5044 21 E 3.9304 8.2611 121.6389 59.3903 29.2732 179.3729 22 T 3.9233 7.8308 115.6269 65.9626 68.6141 176.1664 23 Q 4.1474 8.0661 121.9136 59.0380 29.1153 177.5242 24 E 3.8512 8.4999 120.2205 59.4966 29.3765 179.0871 25 K 3.9019 7.7414 118.5370 59.6747 32.3571 178.2034 26 N 4.5420 8.1535 115.3210 55.9271 38.6111 177.2749 27 T 4.1455 7.7455 116.3412 64.9986 69.9968 174.6993 28 L 4.8696 7.8942 119.6541 53.1422 42.0037 174.9731 29 P 4.8892 0.0000 0.0000 61.7292 32.2711 178.7299 30 T 4.8815 7.5742 120.2964 64.0947 68.2718 174.7588 31 K 3.8201 7.5724 122.5588 58.2994 32.6136 178.2507 32 E 3.8987 8.5195 119.2033 59.8679 29.2035 178.4803 33 T 4.4311 7.9376 114.1941 65.0814 67.3350 175.4184 34 I 3.6572 7.9019 120.3676 64.2640 38.1200 177.8677 35 E 4.0245 8.3846 119.7445 59.1679 29.2538 179.1110 36 Q 4.1177 7.9967 116.9795 58.5342 28.9529 178.1825 37 E 3.9245 8.2192 121.2726 59.2606 29.4037 178.9185 38 K 3.9372 7.9212 118.3999 59.5266 32.3321 178.3044 39 Q 4.0913 8.0974 118.5077 58.5239 29.0541 177.3943 40 A 4.1478 7.9581 121.5595 54.2856 18.5210 177.6562 41 K 4.1973 7.9093 122.3058 56.8810 32.4593 176.3442 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 A 8.26 4.28 1.28 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 0.00 0.00 0.00 2 D 8.05 4.61 0.00 2.74 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 3 K 7.21 4.52 0.00 1.76 1.85 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.38 7.81 4 P 0.00 4.74 0.00 2.26 2.27 0.00 3.72 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 5 D 7.77 4.29 0.00 2.91 2.92 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 6 L 8.10 4.02 0.00 1.78 1.76 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 7 G 8.26 3.67 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 0.00 0.00 0.00 8 E 8.20 4.02 0.00 2.03 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 2.42 2.56 0.00 9 I 8.00 3.84 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.71 1.03 0.00 0.00 10 N 8.20 5.03 0.00 2.96 2.90 0.00 0.00 6.25 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 11 S 8.31 4.11 0.00 3.94 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.37 4.20 0.00 3.21 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 13 D 8.24 3.46 0.00 2.78 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 14 K 7.97 3.95 0.00 1.80 1.86 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.61 7.81 15 A 8.04 4.03 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 16 K 8.17 3.65 0.00 1.72 1.47 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.41 7.81 17 L 7.73 4.46 0.00 1.68 1.73 0.88 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.96 3.91 0.00 2.06 1.81 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.63 7.81 19 K 8.24 3.85 0.00 1.80 1.81 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.46 7.81 20 T 7.89 3.91 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 1.22 0.00 0.00 21 E 8.26 3.93 0.00 2.23 2.24 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 2.31 2.63 0.00 22 T 7.83 3.92 4.32 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 1.27 0.00 0.00 23 Q 8.07 4.15 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 24 E 8.50 3.85 0.00 2.24 1.95 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 2.31 2.39 0.00 25 K 7.74 3.90 0.00 1.83 1.96 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.15 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.53 7.81 26 N 8.15 4.54 0.00 2.72 2.86 0.00 0.00 7.12 8.21 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 27 T 7.75 4.15 4.24 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 0.00 0.00 1.21 0.00 0.00 28 L 7.89 4.87 0.00 1.67 1.56 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.89 0.00 2.17 2.21 0.00 3.91 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.08 0.00 30 T 7.57 4.88 4.24 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 0.00 0.00 1.21 0.00 0.00 31 K 7.57 3.82 0.00 1.83 1.93 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.46 7.81 32 E 8.52 3.90 0.00 2.02 2.20 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 2.38 2.39 0.00 33 T 7.94 4.43 4.24 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 0.00 0.00 1.26 0.00 0.00 34 I 7.90 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 1.45 0.97 0.00 0.00 35 E 8.38 4.02 0.00 2.16 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 36 Q 8.00 4.12 0.00 2.27 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 37 E 8.22 3.92 0.00 2.29 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 2.32 2.39 0.00 38 K 7.92 3.94 0.00 1.75 1.84 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.44 7.81 39 Q 8.10 4.09 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 40 A 7.96 4.15 1.41 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 41 K 7.91 4.20 0.00 1.89 1.70 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.49 7.81