NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4945 8.1633 118.3253 55.1949 33.4129 173.7125 2 Q 5.2635 8.5508 118.4294 51.3680 32.3457 172.9678 3 I 4.2777 8.8359 117.5277 59.1150 41.7639 174.4995 4 F 4.8335 8.8806 124.1517 56.2381 39.6121 174.7940 5 V 4.3178 8.6475 124.8681 60.6996 32.8137 175.3757 6 K 4.7534 9.1238 129.0229 55.2040 33.1730 176.3427 7 T 4.2685 9.1259 125.2038 63.2938 69.3100 175.1516 8 L 3.9477 8.0844 125.8817 58.9810 41.8100 178.8287 9 T 3.9077 8.0170 111.1164 63.1670 67.4975 174.2215 10 G 3.9740 8.1429 108.1128 45.1608 0.0000 173.9318 11 K 4.0762 8.1652 122.7043 56.9110 33.1882 175.4550 12 T 4.9403 8.5166 124.5033 62.4535 69.9590 174.2410 13 I 4.6705 9.0334 126.8022 59.8140 40.9390 174.4988 14 T 4.9469 8.4895 121.2215 61.9704 70.4565 173.7779 15 L 4.7671 8.3626 126.3878 52.6845 44.6395 175.2547 16 E 4.6379 8.7718 122.2162 54.9720 30.7624 175.2914 17 V 4.5796 8.2283 116.8215 59.8141 36.5174 174.5464 18 E 4.6817 8.5741 120.8553 54.2461 29.6916 176.3631 19 P 4.1717 0.0000 0.0000 65.7069 31.4741 177.9150 20 S 3.9065 7.8875 110.8155 58.6090 63.5073 173.4515 21 D 4.5853 7.9231 123.1564 53.8721 41.3660 177.1116 22 T 4.2912 8.2906 114.9463 61.4593 71.0044 175.3866 23 I 3.7359 8.4338 124.1822 64.6642 37.1115 178.5832 24 E 3.9418 8.1442 117.9240 59.6442 29.4296 178.7283 25 N 4.3310 8.0914 117.7859 56.0351 38.9505 176.8221 26 V 3.5930 7.8314 119.8936 65.9058 31.5620 178.2046 27 K 3.9742 8.3884 118.2646 59.4031 31.9639 179.2251 28 A 4.2850 7.8708 122.4099 54.4605 18.1506 179.8773 29 K 3.9365 8.0949 117.1975 59.7831 32.0553 179.6844 30 I 3.7695 7.6164 120.0854 64.1296 36.5110 178.2508 31 Q 4.2282 8.2000 122.0516 58.1555 28.5754 177.3400 32 D 4.4803 7.6544 117.8691 56.5066 41.7341 177.8029 33 K 4.0731 8.2409 120.0118 59.2257 32.3606 178.2466 34 E 4.2118 7.9464 119.0090 56.7288 30.5929 177.2666 35 G 4.3239 8.6582 106.1050 47.2626 0.0000 173.6947 36 I 4.3912 7.4541 119.4125 57.9817 39.5644 174.1203 37 P 4.3702 0.0000 0.0000 62.3261 31.3671 175.6362 38 P 4.3201 0.0000 0.0000 65.6803 31.4611 177.3534 39 D 4.4953 8.0594 117.9558 56.6115 41.0875 177.0843 40 Q 4.2234 7.9337 116.4833 56.5850 29.5354 174.6082 41 Q 4.2961 7.8139 120.4372 55.4293 29.7724 174.9864 42 R 4.5500 9.1659 128.3271 54.6637 32.5562 174.3203 43 L 5.1063 8.5064 126.8151 53.2165 44.0111 175.3678 44 I 4.9601 8.5858 125.1095 59.3384 40.1988 174.4667 45 F 4.7865 9.2802 128.9764 56.5555 41.9898 174.5807 46 A 3.5264 9.4868 127.9540 52.9718 15.8041 177.7091 47 G 3.9085 8.4827 105.3875 46.5137 0.0000 174.0901 48 K 4.5529 7.8312 119.5053 54.1643 34.6082 174.8719 49 Q 4.5727 8.4914 124.4567 55.3530 29.9157 175.0944 50 L 3.9431 8.4400 127.1632 54.9321 42.1413 176.7440 51 E 4.4913 9.7000 125.5363 55.5066 30.3381 178.2399 52 D 4.4027 9.0344 123.0125 56.2228 39.5727 177.4031 53 G 3.8792 8.0662 106.4827 45.6496 0.0000 172.6238 54 R 4.5907 8.0684 119.1404 54.0373 33.0778 173.9805 55 T 4.9498 7.6846 108.5477 59.5990 73.0069 174.5980 56 L 4.0793 7.8202 119.3101 58.0563 41.4431 180.0015 57 S 4.1719 7.9682 114.8041 61.3761 62.6052 175.9553 58 D 4.2632 7.4909 119.6712 57.0658 41.0411 176.9939 59 Y 4.4485 7.4493 113.3690 56.9454 38.9791 174.5095 60 N 4.1076 7.8578 117.6134 54.4940 37.7665 174.7074 61 I 3.9310 7.7362 118.5988 60.3560 37.7684 176.7033 62 Q 4.2421 8.4827 126.9174 55.0988 29.8064 175.5507 63 K 4.1323 8.3215 120.8323 57.6702 33.3815 176.4478 64 E 4.0917 8.1063 117.7077 57.6466 27.5419 174.9344 65 S 4.8111 7.3383 109.7766 57.8976 65.5658 172.9307 66 T 4.9832 8.5326 118.0867 62.6143 69.4463 174.3583 67 L 4.9336 9.2034 126.7581 53.4323 45.4356 175.0704 68 H 5.2141 8.6242 117.2474 54.0525 31.6004 172.7867 69 L 4.9497 9.1188 126.5023 53.7323 43.3696 175.2828 70 V 4.4517 9.1259 126.6548 61.1864 34.8307 174.5218 71 L 5.1685 8.2538 124.4160 52.7094 43.8448 176.5199 72 R 3.9685 8.0019 117.6109 56.9877 29.3542 176.6976 73 L 4.2258 8.6292 123.0893 56.9140 42.7490 176.8257 74 R 4.7625 7.7111 114.4736 54.2980 33.4784 175.3713 75 G 3.8544 8.4883 108.1611 47.2892 0.0000 174.2907 76 G 3.7432 7.7783 112.4646 46.1974 0.0000 172.9987 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 4.49 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.60 0.00 2 Q 8.55 5.26 0.00 1.84 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.78 0.00 0.00 0.00 0.00 0.00 2.21 2.17 0.00 3 I 8.84 4.28 1.79 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.94 0.79 0.00 0.00 4 F 8.88 4.83 0.00 3.15 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 5 V 8.65 4.32 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 0.87 0.00 0.00 0.94 0.00 0.00 6 K 9.12 4.75 0.00 1.75 1.67 0.00 1.54 0.00 0.00 1.62 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.51 7.81 7 T 9.13 4.27 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 1.22 0.00 0.00 8 L 8.08 3.95 0.00 1.66 1.74 0.94 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 9 T 8.02 3.91 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 1.24 0.00 0.00 10 G 8.14 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 11 K 8.17 4.08 0.00 1.86 1.71 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.48 7.81 12 T 8.52 4.94 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 1.29 0.00 0.00 13 I 9.03 4.67 1.89 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 1.25 1.07 0.92 0.00 0.00 14 T 8.49 4.95 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 0.98 0.00 0.00 15 L 8.36 4.77 0.00 1.51 1.49 0.90 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.77 4.64 0.00 1.90 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 0.00 2.16 2.23 0.00 17 V 8.23 4.58 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 0.67 0.00 0.00 0.88 0.00 0.00 18 E 8.57 4.68 0.00 2.00 1.83 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 2.24 2.37 0.00 19 P 0.00 4.17 0.00 2.19 2.29 0.00 3.66 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 2.05 1.94 0.00 20 S 7.89 3.91 0.00 3.99 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 21 D 7.92 4.59 0.00 2.96 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 4.29 4.39 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 1.29 0.00 0.00 23 I 8.43 3.74 2.05 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 1.86 1.12 1.00 0.00 0.00 24 E 8.14 3.94 0.00 2.24 2.22 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 2.37 2.53 0.00 25 N 8.09 4.33 0.00 2.85 2.93 0.00 0.00 7.28 7.70 0.00 0.00 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 3.59 2.23 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 0.95 0.00 0.00 0.98 0.00 0.00 27 K 8.39 3.97 0.00 2.06 1.84 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.59 7.81 28 A 7.87 4.29 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 29 K 8.09 3.94 0.00 2.04 1.85 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.47 7.81 30 I 7.62 3.77 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.93 0.91 0.00 0.00 31 Q 8.20 4.23 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.69 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 32 D 7.65 4.48 0.00 2.72 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 33 K 8.24 4.07 0.00 1.86 1.76 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.47 7.81 34 E 7.95 4.21 0.00 2.10 1.99 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 2.30 2.31 0.00 35 G 8.66 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 0.00 0.00 0.00 0.00 36 I 7.45 4.39 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 1.47 0.87 0.91 0.00 0.00 37 P 0.00 4.37 0.00 2.27 2.21 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 38 P 0.00 4.32 0.00 2.20 2.23 0.00 3.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 39 D 8.06 4.50 0.00 2.69 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 4.22 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 7.08 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 41 Q 7.81 4.30 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 42 R 9.17 4.55 0.00 1.88 1.84 0.00 3.12 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 43 L 8.51 5.11 0.00 1.61 1.55 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.59 4.96 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.81 0.91 0.00 0.00 45 F 9.28 4.79 0.00 2.91 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 9.49 3.53 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.48 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 0.00 0.00 0.00 48 K 7.83 4.55 0.00 1.93 1.68 0.00 1.51 0.00 0.00 1.54 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.41 7.81 49 Q 8.49 4.57 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 7.05 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 50 L 8.44 3.94 0.00 1.55 1.61 0.83 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.70 4.49 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 52 D 9.03 4.40 0.00 2.78 2.83 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 53 G 8.07 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 0.00 0.00 0.00 54 R 8.07 4.59 0.00 1.80 1.62 0.00 3.19 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 55 T 7.68 4.95 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 56 L 7.82 4.08 0.00 1.74 1.69 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.97 4.17 0.00 3.84 3.89 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 58 D 7.49 4.26 0.00 2.53 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 7.45 4.45 0.00 2.98 3.04 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 0.00 0.00 0.00 0.00 60 N 7.86 4.11 0.00 2.93 2.97 0.00 0.00 7.17 8.00 0.00 0.00 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 7.74 3.93 1.67 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.59 0.54 0.00 0.00 62 Q 8.48 4.24 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.07 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 63 K 8.32 4.13 0.00 1.95 1.90 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.47 7.81 64 E 8.11 4.09 0.00 2.22 2.37 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 2.38 2.28 0.00 65 S 7.34 4.81 0.00 4.11 4.11 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 66 T 8.53 4.98 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 1.22 0.00 0.00 67 L 9.20 4.93 0.00 1.61 1.60 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.62 5.21 0.00 3.14 3.19 0.00 5.59 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.12 4.95 0.00 1.73 1.68 1.02 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 70 V 9.13 4.45 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 1.08 0.00 0.00 0.95 0.00 0.00 71 L 8.25 5.17 0.00 1.55 1.58 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.00 3.97 0.00 1.78 1.95 0.00 3.30 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 73 L 8.63 4.23 0.00 1.61 1.72 0.92 0.86 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 74 R 7.71 4.76 0.00 1.79 1.78 0.00 3.25 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 75 G 8.49 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 76 G 7.78 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