NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4903 8.3049 118.3279 55.2822 33.0848 174.2533 2 Q 4.5460 8.3550 119.1535 52.8084 31.0486 173.1834 3 I 5.4954 8.1946 113.7936 58.2595 41.7154 173.8836 4 F 5.8016 8.6584 120.6961 54.8663 42.4116 174.1924 5 V 4.6883 8.4688 121.8579 61.1175 34.4842 174.0094 6 K 5.6351 8.5126 126.6218 54.5456 33.7431 176.4139 7 T 4.5112 8.2380 117.4557 61.2090 69.8809 175.6889 8 L 3.9165 8.7708 120.7522 58.5945 42.2209 178.7031 9 T 4.2173 7.8919 104.8051 61.6252 69.2006 175.0659 10 G 3.8955 7.9055 109.9198 45.2347 0.0000 173.4652 11 K 3.9314 7.8883 120.2724 57.0412 33.4078 175.0457 12 T 4.9323 8.4502 121.2561 61.9697 70.6430 173.8646 13 I 4.5844 8.2577 126.6187 59.8561 40.3900 174.4535 14 T 4.6119 8.5962 123.7906 61.8828 69.4831 174.1697 15 L 4.7919 7.8668 124.5352 52.7987 46.0958 175.1483 16 E 4.6284 8.6396 122.3299 54.6856 30.7002 175.4998 17 V 4.6801 7.9852 117.9184 59.9103 36.1945 174.0111 18 E 4.7843 9.0877 120.1184 53.8173 32.0367 176.0906 19 P 4.2577 0.0000 0.0000 65.3948 31.4738 177.5871 20 S 4.4497 7.8713 110.1743 58.6357 63.6243 174.1136 21 D 4.4919 8.0370 122.7755 54.5162 41.3501 176.7538 22 T 4.3903 8.1314 113.2451 60.9363 71.5556 176.0784 23 I 3.6721 8.1585 122.8977 64.5852 37.1707 178.2554 24 E 3.9011 8.1630 119.6961 59.2365 29.4433 178.2940 25 N 4.2811 7.8964 117.0560 56.6038 39.0370 177.0187 26 V 3.5675 7.8270 119.6858 65.9738 31.5096 178.0873 27 K 3.9392 8.4154 118.3126 59.4460 31.8774 179.1319 28 A 3.9781 7.9614 121.0287 55.0904 18.3585 179.8681 29 K 3.9543 8.0118 117.0718 59.6226 32.0611 179.6869 30 I 3.7231 7.7316 120.2160 64.2460 36.9028 178.1866 31 Q 4.0303 8.3317 120.7009 59.2938 28.6650 177.8767 32 D 4.3025 7.8941 117.8258 57.2688 41.3035 178.0458 33 K 4.1729 7.7593 117.6733 58.5572 32.4034 178.2409 34 E 4.6030 8.8559 116.1521 55.2476 30.9603 177.2707 35 G 3.8511 8.1937 106.8834 45.4595 0.0000 173.2576 36 I 4.0842 7.4457 120.5350 59.2309 37.5647 174.1315 37 P 4.3432 0.0000 0.0000 61.9531 32.0735 175.6526 38 P 4.2143 0.0000 0.0000 65.9550 31.3895 178.1213 39 D 4.4826 8.0641 115.9498 56.4031 40.9081 176.7451 40 Q 4.4800 8.1189 117.0979 55.3892 28.9953 174.9817 41 Q 4.6104 7.8385 117.4872 53.9816 30.9144 174.9189 42 R 4.6453 8.5710 121.6978 54.3976 32.4314 175.2543 43 L 4.6925 8.4452 123.8635 53.3980 43.9521 175.5868 44 I 4.9396 7.9234 120.8532 59.6097 41.4280 174.4640 45 F 4.5175 8.8085 126.8226 57.9095 42.5038 173.6957 46 A 3.9020 8.6734 127.7849 53.2692 15.8889 179.0742 47 G 4.0031 8.3475 107.2076 47.0781 0.0000 174.5349 48 K 4.5654 7.5516 119.4701 54.1510 33.9677 175.3747 49 Q 4.1424 8.7213 122.5629 56.1647 29.1186 176.4608 50 L 3.7645 8.3304 125.5452 54.8291 42.1518 176.8116 51 E 4.6768 9.0063 123.1587 54.9921 31.2842 177.3395 52 D 4.3619 8.9568 122.1100 56.7355 41.1663 177.5412 53 G 3.9685 8.0601 105.9848 45.2599 0.0000 173.2106 54 R 4.6686 7.5906 118.7750 54.4228 32.9035 175.1968 55 T 4.6490 8.2692 109.4896 59.8310 71.3277 175.8333 56 L 4.0214 8.4432 121.6175 58.1546 41.5411 179.7630 57 S 4.1402 8.0924 112.4368 61.4235 62.0835 175.7468 58 D 4.3184 7.7123 120.8900 56.6574 40.4506 177.2258 59 Y 4.4890 7.6241 115.0128 56.4460 38.4493 175.0441 60 N 4.1967 8.0633 115.8208 54.1486 36.9699 174.5911 61 I 3.8328 7.7756 117.8012 60.9212 38.1518 176.0556 62 Q 4.6244 8.2948 123.9793 53.1139 31.1588 175.0336 63 K 3.9825 8.3886 118.0193 58.9379 32.5321 176.3703 64 E 4.1429 8.3588 118.0600 57.5975 27.7021 174.7989 65 S 4.7252 7.8843 114.6219 58.8674 64.2944 173.3773 66 T 5.4250 8.7965 118.9607 62.0828 69.8063 173.8183 67 L 4.8239 9.1432 126.2465 53.8966 44.9318 174.7607 68 H 5.2337 8.4349 115.1266 54.1909 31.6296 173.3601 69 L 4.9738 8.3752 122.1807 53.5224 45.5402 175.2475 70 V 4.1407 8.2145 122.1315 62.4625 34.1298 175.4660 71 L 3.7972 8.8807 127.8130 55.4505 41.0065 177.7703 72 R 5.4350 8.2434 129.6172 56.9592 31.5420 172.5557 73 L 4.3954 7.2998 119.4234 55.7448 43.1913 177.2669 74 R 4.4838 7.8943 115.4114 57.0722 31.7037 177.8078 75 G 4.0621 7.6671 105.3333 44.7019 0.0000 171.9692 76 C 4.2229 8.3838 125.4981 59.5186 32.5270 172.3831 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 4.49 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 2 Q 8.35 4.55 0.00 1.99 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 3 I 8.19 5.50 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.75 0.85 0.00 0.00 4 F 8.66 5.80 0.00 3.00 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 5 V 8.47 4.69 2.11 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 1.01 0.00 0.00 0.95 0.00 0.00 6 K 8.51 5.64 0.00 1.84 1.75 0.00 1.72 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.76 1.23 7.81 7 T 8.24 4.51 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 1.23 0.00 0.00 8 L 8.77 3.92 0.00 1.63 1.74 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.89 4.22 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 10 G 7.91 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 11 K 7.89 3.93 0.00 1.87 1.76 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.54 7.81 12 T 8.45 4.93 4.31 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 1.41 0.00 0.00 13 I 8.26 4.58 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.98 0.90 0.00 0.00 14 T 8.60 4.61 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 1.04 0.00 0.00 15 L 7.87 4.79 0.00 1.56 1.43 0.87 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.64 4.63 0.00 1.85 1.80 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 2.18 2.33 0.00 17 V 7.99 4.68 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.90 0.00 0.00 18 E 9.09 4.78 0.00 2.06 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 2.19 2.36 0.00 19 P 0.00 4.26 0.00 2.02 2.11 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 20 S 7.87 4.45 0.00 3.97 3.96 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 21 D 8.04 4.49 0.00 2.79 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.13 4.39 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 23 I 8.16 3.67 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.94 0.89 0.00 0.00 24 E 8.16 3.90 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 25 N 7.90 4.28 0.00 2.74 2.93 0.00 0.00 6.81 8.74 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 26 V 7.83 3.57 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 0.94 0.00 0.00 0.96 0.00 0.00 27 K 8.42 3.94 0.00 2.00 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.62 7.81 28 A 7.96 3.98 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 29 K 8.01 3.95 0.00 1.99 1.85 0.00 1.64 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.64 7.81 30 I 7.73 3.72 2.04 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 1.40 0.93 1.00 0.00 0.00 31 Q 8.33 4.03 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 32 D 7.89 4.30 0.00 2.70 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.76 4.17 0.00 1.80 1.84 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.66 7.81 34 E 8.86 4.60 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 35 G 8.19 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.45 4.08 1.87 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 1.42 0.75 0.91 0.00 0.00 37 P 0.00 4.34 0.00 2.17 1.98 0.00 3.62 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.21 0.00 2.17 2.12 0.00 3.59 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 39 D 8.06 4.48 0.00 2.67 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.12 4.48 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 41 Q 7.84 4.61 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 42 R 8.57 4.65 0.00 1.66 1.83 0.00 3.19 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 43 L 8.45 4.69 0.00 1.55 1.54 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 44 I 7.92 4.94 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 1.11 1.16 0.94 0.00 0.00 45 F 8.81 4.52 0.00 2.87 2.67 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 46 A 8.67 3.90 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.35 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 0.00 0.00 0.00 48 K 7.55 4.57 0.00 2.08 1.88 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.44 1.68 7.81 49 Q 8.72 4.14 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 50 L 8.33 3.76 0.00 1.38 1.23 0.76 0.20 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 51 E 9.01 4.68 0.00 2.08 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 2.32 2.38 0.00 52 D 8.96 4.36 0.00 2.66 2.74 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 53 G 8.06 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.59 4.67 0.00 2.12 1.94 0.00 3.15 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 1.60 1.76 0.00 55 T 8.27 4.65 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 1.22 0.00 0.00 56 L 8.44 4.02 0.00 1.68 1.69 0.86 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.09 4.14 0.00 3.87 3.85 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 0.00 0.00 0.00 0.00 58 D 7.71 4.32 0.00 2.65 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 7.62 4.49 0.00 2.96 3.08 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 0.00 0.00 0.00 60 N 8.06 4.20 0.00 2.92 2.92 0.00 0.00 6.93 7.07 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 61 I 7.78 3.83 1.63 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.31 0.38 0.00 0.00 62 Q 8.29 4.62 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.92 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 63 K 8.39 3.98 0.00 1.88 1.85 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.52 7.81 64 E 8.36 4.14 0.00 2.32 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 65 S 7.88 4.73 0.00 3.80 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.80 5.42 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 1.28 0.00 0.00 67 L 9.14 4.82 0.00 1.72 1.93 1.05 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.43 5.23 0.00 3.07 3.12 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.38 4.97 0.00 1.66 1.74 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.21 4.14 2.11 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 0.76 0.00 0.00 0.96 0.00 0.00 71 L 8.88 3.80 0.00 1.63 1.40 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.24 5.44 0.00 1.92 1.94 0.00 3.44 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.32 0.00 73 L 7.30 4.40 0.00 1.67 1.70 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.89 4.48 0.00 1.70 1.85 0.00 3.39 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 75 G 7.67 4.06 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 0.00 0.00 0.00 76 C 8.38 4.22 0.00 3.10 2.89 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 0.00 0.00 0.00