NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1685 8.1627 120.3506 61.4234 33.6270 176.8768 2 K 4.4711 7.1093 116.3289 57.5609 30.8531 174.7773 3 R 4.3306 7.8143 114.4768 56.2810 30.2078 178.6468 4 T 3.6136 9.7320 105.7523 62.3330 70.8768 172.2441 5 W 4.8654 8.8438 133.9894 58.0080 28.8328 178.4838 6 Q 2.5569 9.1084 105.2910 56.4458 26.3701 172.1830 7 P 4.0854 0.0000 0.0000 62.2962 33.0513 175.7311 8 N 4.6925 8.0285 115.1517 52.1034 40.9794 174.4720 9 R 3.9272 8.5930 125.2302 59.5978 32.3467 179.1809 10 R 4.0415 8.9599 112.4715 58.5181 29.2009 180.1827 11 K 4.5488 9.0395 128.0810 59.4068 34.0078 175.1186 12 R 3.8512 8.5516 120.1681 58.8054 29.9349 177.8926 13 A 3.9949 7.5978 119.2055 56.1333 18.4333 178.9410 14 K 3.6283 8.6274 114.6164 59.1122 32.0462 179.2266 15 T 4.0732 7.8787 110.8578 63.9981 69.2505 173.3913 16 H 4.8959 7.4702 118.4705 53.4586 30.9430 174.4314 17 G 3.8340 8.4801 107.7729 42.9453 0.0000 174.2504 18 F 4.0346 7.0193 120.3942 61.1048 39.1185 178.0884 19 R 3.6540 8.9449 113.3490 59.5840 29.7024 178.7998 20 A 3.9119 7.7998 120.6070 55.4490 19.2332 179.4878 21 R 3.8034 8.1930 117.2125 60.0765 29.9506 178.6808 22 M 4.1289 8.1953 117.1869 58.6274 31.9086 177.7677 23 R 3.9416 7.9278 117.9282 59.4384 30.8554 177.2388 24 T 4.0018 8.0032 111.7740 61.2863 68.9931 173.5267 25 P 4.3311 0.0000 0.0000 66.0532 31.2181 178.9931 26 G 3.6662 8.1188 105.1361 47.9767 0.0000 174.8658 27 G 3.8697 7.9992 109.0241 46.7795 0.0000 175.3739 28 R 3.9297 8.5491 119.4357 58.7502 30.3990 178.8274 29 K 3.8337 8.3170 117.8890 60.0145 32.1139 179.3308 30 V 3.5772 8.1545 118.2109 66.6765 31.3184 176.9186 31 L 3.7865 8.4133 116.3719 58.2390 41.2374 179.2756 32 K 3.8540 8.3580 118.3779 60.9101 32.6900 178.4521 33 R 3.6671 8.2708 116.6112 60.6151 29.7702 177.7710 34 R 3.9168 9.1109 117.7885 60.8480 30.4048 179.4105 35 R 3.5900 8.3288 114.8014 58.0809 30.0080 177.5516 36 Q 4.4908 8.4984 120.9299 56.4775 29.8573 177.9697 37 K 4.3563 8.1959 120.1306 58.7390 32.1381 178.0386 38 G 4.2543 7.9842 104.4266 44.9591 0.0000 174.2023 39 R 3.8864 8.1204 117.2356 58.7628 27.5248 175.4482 40 W 3.9502 7.7598 126.3464 55.1415 28.0778 177.6304 41 R 4.9016 7.3023 119.1349 55.8038 29.2389 177.5781 42 L 4.2238 8.1793 116.9216 54.1454 44.7320 174.8831 43 T 3.9027 8.6901 122.3618 66.2462 68.4624 174.1356 44 P 4.1944 0.0000 0.0000 63.9847 31.2257 176.2200 45 A 4.3754 9.0325 121.6355 53.9218 20.7601 178.9997 46 V 3.5376 8.9045 115.6793 66.7096 32.0710 175.8794 47 R 3.6209 6.4213 117.7802 53.0229 32.8773 175.0979 48 K 4.6845 8.0801 124.5700 55.8037 34.6030 175.9831 49 R 4.2074 8.6365 117.3778 57.1378 30.7992 176.7950 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 M 8.16 4.17 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.61 0.00 2 K 7.11 4.47 0.00 1.99 2.04 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.54 7.81 3 R 7.81 4.33 0.00 2.05 1.97 0.00 3.40 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 4 T 9.73 3.61 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 1.30 0.00 0.00 5 W 8.84 4.87 0.00 3.22 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.11 2.56 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 7 P 0.00 4.09 0.00 1.86 0.66 0.00 2.66 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.16 0.00 8 N 8.03 4.69 0.00 2.63 2.61 0.00 0.00 6.87 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 9 R 8.59 3.93 0.00 1.88 1.96 0.00 3.18 0.00 0.00 3.32 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 10 R 8.96 4.04 0.00 2.10 1.45 0.00 3.13 0.00 0.00 3.25 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 11 K 9.04 4.55 0.00 1.93 1.74 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.61 7.81 12 R 8.55 3.85 0.00 1.96 2.01 0.00 3.53 0.00 0.00 3.64 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.53 0.00 13 A 7.60 3.99 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.63 3.63 0.00 1.83 1.74 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.58 7.81 15 T 7.88 4.07 4.21 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 0.00 0.00 0.00 1.26 0.00 0.00 16 H 7.47 4.90 0.00 3.08 3.15 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.48 3.83 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 0.00 0.00 0.00 18 F 7.02 4.03 0.00 3.22 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.94 3.65 0.00 1.96 1.90 0.00 3.37 0.00 0.00 3.45 8.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.86 0.00 20 A 7.80 3.91 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.19 3.80 0.00 1.91 1.96 0.00 3.08 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 22 M 8.20 4.13 0.00 2.04 2.28 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.63 0.00 23 R 7.93 3.94 0.00 2.03 1.94 0.00 3.18 0.00 0.00 3.16 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 24 T 8.00 4.00 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 1.33 0.00 0.00 25 P 0.00 4.33 0.00 2.30 2.30 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 26 G 8.12 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 27 G 8.00 3.87 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 0.00 0.00 0.00 28 R 8.55 3.93 0.00 1.86 2.05 0.00 3.17 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.99 0.00 29 K 8.32 3.83 0.00 1.97 1.89 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.65 7.81 30 V 8.15 3.58 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 1.11 0.00 0.00 0.96 0.00 0.00 31 L 8.41 3.79 0.00 2.06 1.62 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.36 3.85 0.00 1.82 1.91 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.50 7.81 33 R 8.27 3.67 0.00 1.92 2.07 0.00 3.12 0.00 0.00 3.10 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 34 R 9.11 3.92 0.00 2.04 1.94 0.00 3.46 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 35 R 8.33 3.59 0.00 2.06 1.88 0.00 3.25 0.00 0.00 3.32 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.96 0.00 36 Q 8.50 4.49 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 37 K 8.20 4.36 0.00 2.06 1.91 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.52 7.81 38 G 7.98 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 0.00 0.00 0.00 0.00 39 R 8.12 3.89 0.00 1.77 1.68 0.00 2.91 0.00 0.00 3.04 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 40 W 7.76 3.95 0.00 3.51 3.26 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 0.00 41 R 7.30 4.90 0.00 2.16 1.72 0.00 3.13 0.00 0.00 3.31 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.54 0.00 42 L 8.18 4.22 0.00 1.81 1.60 1.01 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.69 3.90 4.18 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 1.18 0.00 0.00 44 P 0.00 4.19 0.00 1.81 1.99 0.00 3.56 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.89 0.00 45 A 9.03 4.38 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.90 3.54 2.12 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 0.77 0.00 0.00 0.93 0.00 0.00 47 R 6.42 3.62 0.00 1.80 1.88 0.00 3.31 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 48 K 8.08 4.68 0.00 1.72 1.71 0.00 1.83 0.00 0.00 1.64 0.00 0.00 3.12 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.46 7.81 49 R 8.64 4.21 0.00 2.00 1.93 0.00 3.50 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00