NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3973 8.3001 118.1846 55.2556 32.1282 174.5085 2 A 4.2720 8.0574 122.7272 51.3586 21.7700 175.0496 3 N 4.2536 9.7353 119.4828 54.5480 38.9260 172.7828 4 L 4.3816 7.0539 116.7716 55.2147 43.0996 179.0236 5 R 3.8564 7.5291 119.9360 59.9287 30.1421 177.3301 6 T 3.8648 7.7993 112.4142 65.2294 67.4508 175.9516 7 Q 4.0358 7.9855 119.3146 58.3153 29.0074 178.4063 8 K 3.9927 7.9463 119.6822 59.2354 32.1709 179.3582 9 R 3.8891 7.9596 119.0248 59.4506 30.1927 178.6380 10 L 4.0288 8.1887 118.7497 57.6385 41.2056 179.2966 11 A 4.0207 8.2157 120.6145 55.0267 18.3092 179.5763 12 A 4.0160 7.9491 118.9797 55.2857 18.1789 179.8327 13 S 4.0756 7.9750 111.7293 61.4176 62.2610 176.6790 14 V 3.7585 7.6814 120.4328 63.6785 31.4024 177.7624 15 V 4.2598 7.3010 109.7129 59.4182 33.1730 175.8943 16 G 4.0092 7.5809 107.1695 46.2686 0.0000 172.5112 17 V 4.5312 8.0391 116.4194 60.0233 35.1898 176.5335 18 G 3.7414 8.4757 107.5725 46.2292 0.0000 174.5593 19 K 4.2103 8.1999 118.7888 56.2288 30.1431 177.7065 20 R 4.0869 7.8027 117.9513 59.2862 30.6450 177.4951 21 K 4.3501 8.1648 117.2456 59.2925 33.0748 178.2275 22 V 4.1184 7.8991 118.3133 61.7763 32.0186 175.5150 23 W 5.0288 9.1659 132.5137 55.6429 34.1007 173.8650 24 L 4.6647 7.3207 124.3784 52.3618 44.5732 175.8830 25 D 3.3957 7.5860 123.5750 53.5295 41.2340 174.7617 26 P 4.2647 0.0000 0.0000 65.4790 31.8764 177.5161 27 N 4.4477 8.3184 115.6679 56.2517 39.3031 175.9379 28 E 4.6139 8.1511 116.6115 56.6303 30.5114 178.1358 29 T 3.7796 7.8387 116.5126 65.4039 66.8256 175.6572 30 S 4.1273 7.9462 116.7356 61.5891 62.7056 176.2547 31 E 4.1026 8.0227 119.8199 59.1220 29.4031 178.8476 32 I 3.8307 7.5430 119.1683 64.2057 37.1977 178.0174 33 A 4.0937 7.6106 120.4487 54.1326 19.0145 178.0626 34 Q 4.3339 7.4701 117.9543 55.7061 28.0729 174.7335 35 A 4.2141 8.0171 122.1175 49.6329 20.9147 178.6314 36 N 4.5395 6.8631 119.3143 52.0441 39.3412 174.7423 37 S 4.8430 7.3814 111.7292 55.9537 65.0963 174.9305 38 R 4.0379 8.4107 123.6763 58.6602 29.6472 178.1817 39 N 4.4903 8.1128 115.4435 55.0387 38.6765 176.6490 40 A 3.9207 7.7976 122.4411 55.1508 18.6227 179.2913 41 I 3.8568 7.6693 111.2592 63.6954 37.8639 178.6905 42 R 3.9407 7.5234 120.6834 58.9813 29.8578 178.7498 43 K 3.9769 7.6784 119.2003 59.5270 32.2415 178.9453 44 L 4.0504 7.6703 118.3795 57.6687 40.9871 179.6973 45 V 3.9232 7.8167 119.7510 65.3853 31.2622 178.0810 46 K 4.0120 7.8141 118.1392 59.4716 32.0877 178.2135 47 N 4.5351 8.0507 116.3072 54.9732 38.5201 176.2187 48 G 4.1237 7.5712 105.6830 45.3972 0.0000 174.3160 49 T 4.3395 8.1853 117.9790 65.2855 69.6107 174.4724 50 I 4.9086 7.9189 122.2033 59.6589 40.5771 175.2973 51 V 4.6953 8.8440 119.0950 59.4339 36.3143 174.0035 52 K 4.8904 8.4809 121.1543 55.0123 34.8726 176.2886 53 K 4.2769 8.3058 124.4806 56.5035 31.9543 176.1112 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 8.30 4.40 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 2 A 8.06 4.27 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 3 N 9.74 4.25 0.00 2.98 2.91 0.00 0.00 7.09 6.66 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 4 L 7.05 4.38 0.00 1.87 1.61 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 5 R 7.53 3.86 0.00 1.90 1.91 0.00 3.09 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 6 T 7.80 3.86 4.23 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 1.27 0.00 0.00 7 Q 7.99 4.04 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 8 K 7.95 3.99 0.00 1.93 1.85 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.57 7.81 9 R 7.96 3.89 0.00 2.01 2.10 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 10 L 8.19 4.03 0.00 1.76 1.69 0.95 1.10 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 11 A 8.22 4.02 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 12 A 7.95 4.02 1.48 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 0.00 0.00 0.00 13 S 7.97 4.08 0.00 4.08 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 14 V 7.68 3.76 2.09 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 0.87 0.00 0.00 0.94 0.00 0.00 15 V 7.30 4.26 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 0.79 0.00 0.00 1.05 0.00 0.00 16 G 7.58 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 0.00 0.00 0.00 0.00 17 V 8.04 4.53 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 0.75 0.00 0.00 0.95 0.00 0.00 18 G 8.48 3.74 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 0.00 0.00 0.00 19 K 8.20 4.21 0.00 1.82 2.33 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.36 7.81 20 R 7.80 4.09 0.00 1.76 1.97 0.00 3.31 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 21 K 8.16 4.35 0.00 1.78 1.87 0.00 1.74 0.00 0.00 1.88 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.55 1.46 7.81 22 V 7.90 4.12 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 0.69 0.00 0.00 1.04 0.00 0.00 23 W 9.17 5.03 0.00 3.38 2.99 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 24 L 7.32 4.66 0.00 1.16 1.20 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 25 D 7.59 3.40 0.00 2.67 2.41 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 26 P 0.00 4.26 0.00 2.07 2.05 0.00 3.73 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 27 N 8.32 4.45 0.00 2.68 3.03 0.00 0.00 6.90 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 28 E 8.15 4.61 0.00 2.06 1.91 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 2.26 2.30 0.00 29 T 7.84 3.78 4.38 0.00 0.00 0.00 0.00 0.00 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 30 S 7.95 4.13 0.00 3.89 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 31 E 8.02 4.10 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 32 I 7.54 3.83 1.94 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.61 0.86 0.00 0.00 33 A 7.61 4.09 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 34 Q 7.47 4.33 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 35 A 8.02 4.21 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 36 N 6.86 4.54 0.00 2.93 3.02 0.00 0.00 6.85 6.90 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 37 S 7.38 4.84 0.00 3.75 3.66 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 38 R 8.41 4.04 0.00 1.90 1.96 0.00 3.17 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 39 N 8.11 4.49 0.00 2.83 2.80 0.00 0.00 7.13 8.15 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 40 A 7.80 3.92 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.67 3.86 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.66 0.91 0.00 0.00 42 R 7.52 3.94 0.00 2.11 2.03 0.00 3.28 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 43 K 7.68 3.98 0.00 1.89 1.98 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.49 7.81 44 L 7.67 4.05 0.00 1.94 1.72 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.82 3.92 2.25 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 1.26 0.00 0.00 1.04 0.00 0.00 46 K 7.81 4.01 0.00 1.82 1.98 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.53 7.81 47 N 8.05 4.54 0.00 3.00 2.91 0.00 0.00 7.34 6.95 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 48 G 7.57 4.12 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 0.00 0.00 0.00 49 T 8.19 4.34 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 1.27 0.00 0.00 50 I 7.92 4.91 1.93 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.99 1.03 0.00 0.00 51 V 8.84 4.70 2.05 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 0.76 0.00 0.00 0.70 0.00 0.00 52 K 8.48 4.89 0.00 1.73 1.64 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.47 7.81 53 K 8.31 4.28 0.00 1.95 1.67 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.73 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.48 7.81