NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3748 8.2531 123.5827 52.6205 20.7120 172.8564 3 G 3.9761 8.9603 107.8097 45.4593 0.0000 169.1985 4 V 3.6264 8.9375 116.3494 63.6004 32.4954 171.9379 5 K 3.5198 8.1817 122.5897 56.3871 33.2635 174.3212 6 A 4.4679 8.4811 125.6189 52.2103 17.3198 174.9274 7 Y 4.8904 8.2263 120.2089 59.7667 45.5835 177.0436 8 E 4.0756 8.2566 118.0893 59.2566 29.7663 177.9121 9 L 4.2376 7.6116 116.5104 55.4110 42.5097 176.4329 10 R 4.2951 8.6007 121.8372 57.2194 30.0991 177.4913 11 T 3.8945 7.1121 109.9235 64.4396 67.5146 175.2142 12 K 4.1764 7.3950 119.5983 55.8511 32.8405 177.4145 13 S 4.4411 8.2497 116.4003 57.8184 65.2154 175.5585 14 K 3.9981 8.4461 121.8513 59.5379 31.5911 179.4403 15 E 3.8123 8.0490 116.4765 59.4868 29.6187 178.4987 16 Q 4.0643 7.9224 119.6965 58.7104 29.1641 177.6248 17 L 4.1016 8.1071 120.7457 57.2534 43.5567 177.6668 18 A 4.3532 8.1345 123.6197 48.5290 16.8757 176.1547 19 S 4.6389 7.8561 117.3183 58.5820 65.2798 177.1431 20 Q 4.4075 9.5805 121.9258 55.8762 26.0349 174.0990 21 L 4.8133 7.7529 114.2190 54.8042 42.1294 177.1559 22 V 4.3733 7.4847 117.3667 61.8858 33.4020 177.5465 23 D 4.3123 8.3603 120.7812 56.4934 40.9210 175.9159 24 L 4.8160 9.0732 118.1684 51.6705 42.9803 174.7615 25 K 4.7401 8.1299 132.1477 57.1872 30.4898 176.7883 26 K 3.8171 8.1856 118.3330 59.3850 32.2647 177.4019 27 E 4.5522 7.3545 123.6771 54.8302 27.9898 175.9608 28 L 4.7209 7.5485 134.4964 54.8401 43.5873 175.3585 29 A 3.9890 7.4156 120.6582 55.3758 18.7576 179.4899 30 E 4.0248 8.4664 117.2785 59.2643 29.7356 178.5336 31 L 4.0960 7.7698 119.3860 57.6469 41.0496 178.3384 32 K 4.0612 8.2627 120.1604 58.7111 32.4670 177.5789 33 V 3.8827 7.7802 112.6595 62.0539 32.1969 177.4259 34 Q 3.7186 8.7534 117.8568 56.6169 27.9934 175.5236 35 K 4.3336 7.7837 119.4123 59.1286 32.4981 177.9591 36 L 4.0872 7.3246 116.0417 57.8268 41.4019 178.2246 37 S 4.1811 7.7888 111.8209 60.5986 62.9615 173.7175 38 R 4.6839 8.9132 118.9935 53.6429 33.7524 173.7276 39 P 4.8898 0.0000 0.0000 62.3074 32.2933 175.4731 40 S 4.8504 8.2932 113.9417 56.4941 65.1318 173.9672 41 L 4.7799 7.8601 125.2165 53.9035 41.9933 173.8306 42 P 4.4079 0.0000 0.0000 63.9670 31.9236 173.9546 43 K 4.0342 8.7890 131.9279 56.7152 39.3204 175.7890 44 I 3.7196 5.5797 122.1814 62.4854 39.3163 173.1333 45 K 3.6408 8.9905 131.5771 58.5318 29.7080 173.5655 46 T 3.5615 8.2655 125.1687 63.3824 67.0299 175.3219 47 V 3.5727 8.8553 123.1000 64.6035 31.8647 176.7937 48 R 4.1795 7.6771 120.4262 56.3762 31.0751 175.7580 49 K 4.3672 8.9138 125.3312 57.7780 31.8959 178.6841 50 S 4.0409 7.9605 113.8719 60.8235 62.3078 175.8877 51 I 3.6767 8.6455 122.3288 63.8607 37.6613 177.5500 52 A 3.9974 7.9942 121.4508 55.3800 18.0548 179.1825 53 C 4.1283 8.4664 112.2946 61.3953 29.9912 176.0515 54 V 3.7363 7.5968 121.2500 64.4273 30.7471 178.1665 55 L 4.1274 7.7934 120.7891 57.1145 42.7661 176.8372 56 T 5.1644 7.1811 112.9374 60.1115 67.4712 172.8528 57 V 4.3752 7.7750 129.5184 64.3890 40.3000 174.2330 58 I 3.7371 7.8721 115.3875 63.6882 37.9458 176.7416 59 N 4.6239 8.3587 124.3561 51.3826 37.4595 174.5079 60 E 4.2707 8.3192 120.7486 55.8390 29.9032 176.5278 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 2 A 8.25 4.37 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 3 G 8.96 3.98 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 0.00 0.00 0.00 4 V 8.94 3.63 2.10 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 0.77 0.00 0.00 0.94 0.00 0.00 5 K 8.18 3.52 0.00 2.15 2.02 0.00 1.50 0.00 0.00 1.91 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.68 7.81 6 A 8.48 4.47 1.30 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 0.00 0.00 0.00 7 Y 8.23 4.89 0.00 3.04 2.95 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 8 E 8.26 4.08 0.00 2.14 2.02 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 2.49 2.50 0.00 9 L 7.61 4.24 0.00 1.63 1.58 0.92 0.89 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 10 R 8.60 4.30 0.00 1.91 2.02 0.00 3.18 0.00 0.00 3.08 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.56 0.00 11 T 7.11 3.89 4.01 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 0.00 0.00 1.16 0.00 0.00 12 K 7.39 4.18 0.00 1.69 1.71 0.00 1.62 0.00 0.00 1.94 0.00 0.00 3.12 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.40 7.81 13 S 8.25 4.44 0.00 4.03 3.98 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 14 K 8.45 4.00 0.00 1.81 1.89 0.00 1.66 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.48 7.81 15 E 8.05 3.81 0.00 2.09 2.08 0.00 0.00 0.00 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 2.42 0.00 16 Q 7.92 4.06 0.00 2.05 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.99 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 17 L 8.11 4.10 0.00 1.77 1.85 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.13 4.35 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 0.00 0.00 0.00 0.00 0.00 19 S 7.86 4.64 0.00 3.86 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 20 Q 9.58 4.41 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 21 L 7.75 4.81 0.00 1.73 1.96 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.48 4.37 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.93 0.00 0.00 23 D 8.36 4.31 0.00 2.73 2.76 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 0.00 0.00 0.00 24 L 9.07 4.82 0.00 1.61 1.58 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.13 4.74 0.00 2.03 1.98 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.11 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.28 1.24 7.81 26 K 8.19 3.82 0.00 1.90 1.84 0.00 1.70 0.00 0.00 1.57 0.00 0.00 3.28 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.54 7.81 27 E 7.35 4.55 0.00 1.96 1.89 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 0.00 2.29 2.28 0.00 28 L 7.55 4.72 0.00 1.84 1.73 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.42 3.99 1.33 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 0.00 0.00 30 E 8.47 4.02 0.00 1.99 2.21 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 2.32 2.32 0.00 31 L 7.77 4.10 0.00 2.05 1.85 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.26 4.06 0.00 1.81 1.98 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.63 7.81 33 V 7.78 3.88 2.08 0.00 0.00 0.00 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 1.01 0.00 0.00 34 Q 8.75 3.72 0.00 2.40 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.92 0.00 0.00 0.00 0.00 0.00 2.52 2.33 0.00 35 K 7.78 4.33 0.00 1.95 2.06 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.37 7.81 36 L 7.32 4.09 0.00 1.63 1.72 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.79 4.18 0.00 3.82 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 38 R 8.91 4.68 0.00 1.77 1.74 0.00 3.33 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 39 P 0.00 4.89 0.00 2.04 1.98 0.00 3.63 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 40 S 8.29 4.85 0.00 3.79 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.86 4.78 0.00 1.77 1.64 0.92 0.65 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 42 P 0.00 4.41 0.00 2.06 2.07 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 43 K 8.79 4.03 0.00 1.75 1.52 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.24 1.24 7.81 44 I 5.58 3.72 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 1.18 0.62 0.91 0.00 0.00 45 K 8.99 3.64 0.00 1.96 1.80 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.39 7.81 46 T 8.27 3.56 4.46 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 1.21 0.00 0.00 47 V 8.86 3.57 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.97 0.00 0.00 48 R 7.68 4.18 0.00 1.83 1.83 0.00 3.37 0.00 0.00 3.39 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.56 0.00 49 K 8.91 4.37 0.00 2.18 2.29 0.00 1.45 0.00 0.00 1.91 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.55 7.81 50 S 7.96 4.04 0.00 4.12 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.65 3.68 1.93 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 1.46 1.45 0.96 0.00 0.00 52 A 7.99 4.00 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 53 C 8.47 4.13 0.00 3.10 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.60 3.74 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.93 0.00 0.00 55 L 7.79 4.13 0.00 1.77 1.83 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.18 5.16 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 57 V 7.78 4.38 2.28 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 0.73 0.00 0.00 1.01 0.00 0.00 58 I 7.87 3.74 1.86 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 1.26 0.75 0.90 0.00 0.00 59 N 8.36 4.62 0.00 2.75 2.84 0.00 0.00 6.88 8.29 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 60 E 8.32 4.27 0.00 2.09 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 2.17 2.26 0.00