NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3139 8.3049 120.3254 55.8378 32.8922 174.2752 2 L 3.5601 8.6238 124.9219 53.2999 41.1275 173.0694 3 I 3.0273 8.1523 122.5609 60.5302 39.1902 173.6686 4 P 4.4286 0.0000 0.0000 61.8814 32.6001 175.4242 5 I 3.5694 8.3205 125.6652 61.8044 38.3952 172.5041 6 R 4.8342 8.6014 133.8983 55.6896 30.2713 175.1317 7 C 4.1378 8.3232 121.2712 58.4336 32.4608 173.7791 8 F 4.2676 8.3716 126.7141 61.4315 38.0385 176.9192 9 T 3.9756 7.3106 116.7456 66.5194 68.8505 174.6266 10 C 4.3219 7.9728 120.2071 56.9847 42.5728 175.2595 11 G 3.7129 8.2558 108.2889 44.9004 0.0000 173.4993 12 S 4.3493 7.7577 113.8696 58.1293 63.6668 172.8039 13 L 4.6698 8.1038 119.4811 54.1136 42.0268 175.0951 14 I 4.2283 6.9212 118.4863 61.4921 39.9637 179.1985 15 A 3.2780 7.7052 117.1701 52.9813 20.3429 179.8853 16 D 4.4628 7.7403 116.7656 55.8077 40.6656 179.2272 17 K 4.2456 8.2297 119.5069 58.9036 31.7247 178.7321 18 W 3.4584 7.6455 125.3733 60.1743 31.5976 174.3729 19 Q 4.0343 8.0589 126.0804 55.2829 27.1639 176.7777 20 S 5.9037 7.7173 129.5536 59.1834 61.9004 178.4552 21 F 4.0912 8.7296 121.9258 59.8879 38.6338 177.3308 22 I 3.6333 7.3460 111.8681 65.3702 36.9911 177.1799 23 T 3.6677 7.8509 114.6613 66.6181 68.2869 175.6444 24 R 4.0106 8.3868 119.5095 59.7059 30.6853 178.9773 25 V 4.3269 8.1224 119.2389 65.8174 31.2345 177.8661 26 N 4.3747 8.6081 114.2227 55.1243 38.7048 175.9207 27 A 4.7374 8.0950 122.4201 52.0741 20.8566 177.4655 28 G 3.7651 8.2354 111.9619 43.8370 0.0000 174.5862 29 E 3.4586 8.9325 124.5268 56.3020 27.8943 173.8232 30 N 4.2095 8.7251 121.5518 53.7003 39.3416 173.2502 31 P 4.1787 0.0000 0.0000 65.8089 31.3483 177.8098 32 G 3.5553 7.7793 102.0499 47.9833 0.0000 175.1073 33 K 4.3613 8.4025 120.6157 58.7653 32.5993 178.7505 34 V 3.5074 7.5488 116.8274 65.2300 31.5783 177.2840 35 L 4.3171 8.6253 119.4166 56.8044 42.0716 178.5763 36 D 4.3264 7.8049 118.4370 57.4401 40.7496 177.9666 37 D 4.4802 9.6147 115.9988 54.9359 41.3614 174.9122 38 L 4.6088 6.9779 119.4586 52.5311 45.0959 175.4539 39 G 3.5893 8.5114 109.7555 46.6049 0.0000 173.9714 40 V 4.1104 7.7735 123.6925 61.7770 33.3019 172.2991 41 K 3.8647 8.7610 130.2559 58.3859 31.3631 180.7396 42 R 4.2777 8.4046 129.2734 56.5338 32.9080 174.7642 43 Y 4.5622 7.8360 111.9655 58.1694 39.8174 177.2082 44 C 3.8427 7.3611 114.9251 61.3501 29.1360 175.5479 45 C 4.5646 7.9097 113.9512 56.4522 38.9335 174.3112 46 R 3.9560 7.2119 120.4111 58.0033 29.7369 177.4287 47 R 3.9818 8.7056 119.5315 58.7040 30.7220 179.5025 48 M 3.3924 7.1461 118.6147 58.2090 32.8498 178.4602 49 L 4.0663 7.8450 118.9411 57.4740 42.3372 179.2539 50 L 3.9451 7.2789 115.7963 57.8413 41.6693 178.8339 51 S 4.5603 7.9057 109.3619 58.0877 63.1623 173.2614 52 H 4.5258 8.4802 122.0260 55.7126 29.0245 175.4559 53 V 3.6169 8.3835 121.5645 63.1805 31.8026 175.2793 54 D 4.1317 7.4911 119.5982 54.7796 37.7798 172.2708 55 I 4.3581 7.3584 114.8470 60.7168 38.7224 178.7483 56 I 3.9023 7.9285 123.6890 64.5622 37.4976 177.0246 57 N 4.4891 8.2311 116.2347 55.4936 38.4031 176.3323 58 E 4.4308 7.9659 118.6598 58.8084 30.5075 178.3071 59 V 3.9175 7.4208 115.5663 66.3296 30.3705 176.6342 60 I 3.3184 8.0978 115.1148 64.8681 38.7088 174.2329 61 H 4.5870 8.0025 118.3960 55.5953 26.3529 173.3904 62 Y 4.9953 7.3968 122.4547 58.6011 47.9847 177.6237 63 T 3.5881 7.6002 111.1716 62.6496 67.8373 172.1628 64 R 4.2251 8.6232 116.0274 55.9857 29.6492 175.6334 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 4.31 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.58 0.00 2 L 8.62 3.56 0.00 1.82 1.60 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.15 3.03 1.50 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 -0.36 0.36 0.00 0.00 4 P 0.00 4.43 0.00 1.79 2.04 0.00 3.19 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.94 0.00 5 I 8.32 3.57 1.85 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 1.34 0.62 0.91 0.00 0.00 6 R 8.60 4.83 0.00 2.03 1.97 0.00 3.31 0.00 0.00 3.82 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.56 0.00 7 C 8.32 4.14 0.00 2.80 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.37 4.27 0.00 3.04 2.96 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 9 T 7.31 3.98 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 1.24 0.00 0.00 10 C 7.97 4.32 0.00 3.03 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.26 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 0.00 0.00 0.00 12 S 7.76 4.35 0.00 4.01 4.05 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 0.00 0.00 0.00 0.00 13 L 8.10 4.67 0.00 1.64 1.80 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 14 I 6.92 4.23 1.98 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.62 0.73 0.00 0.00 15 A 7.71 3.28 1.23 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 0.00 0.00 0.00 16 D 7.74 4.46 0.00 2.86 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 17 K 8.23 4.25 0.00 1.93 2.46 0.00 1.88 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.62 1.49 7.81 18 W 7.65 3.46 0.00 3.22 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 19 Q 8.06 4.03 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.08 0.00 0.00 0.00 0.00 0.00 2.37 2.67 0.00 20 S 7.72 5.90 0.00 3.95 4.13 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.73 4.09 0.00 2.85 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 22 I 7.35 3.63 1.65 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.17 0.48 0.00 0.00 23 T 7.85 3.67 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 1.15 0.00 0.00 24 R 8.39 4.01 0.00 1.89 2.05 0.00 2.98 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 25 V 8.12 4.33 2.29 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 1.32 0.00 0.00 0.99 0.00 0.00 26 N 8.61 4.37 0.00 2.84 2.85 0.00 0.00 6.98 7.23 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 27 A 8.10 4.74 1.28 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 0.00 0.00 0.00 28 G 8.24 3.77 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 0.00 0.00 0.00 29 E 8.93 3.46 0.00 2.19 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 2.20 2.24 0.00 30 N 8.73 4.21 0.00 2.71 2.72 0.00 0.00 7.11 7.71 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 31 P 0.00 4.18 0.00 2.11 2.18 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 32 G 7.78 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 4.36 0.00 1.79 1.89 0.00 1.94 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.40 7.81 34 V 7.55 3.51 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 0.54 0.00 0.00 1.00 0.00 0.00 35 L 8.63 4.32 0.00 1.88 1.77 1.05 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.80 4.33 0.00 2.85 2.71 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 37 D 9.61 4.48 0.00 2.75 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.98 4.61 0.00 1.49 1.32 0.26 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.51 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.77 4.11 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 0.85 0.00 0.00 1.08 0.00 0.00 41 K 8.76 3.86 0.00 1.77 1.59 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.75 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.36 7.81 42 R 8.40 4.28 0.00 1.76 1.65 0.00 3.11 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.15 0.00 43 Y 7.84 4.56 0.00 3.19 3.21 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 0.00 44 C 7.36 3.84 0.00 3.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 7.91 4.56 0.00 2.94 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.21 3.96 0.00 2.18 2.12 0.00 3.32 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 47 R 8.71 3.98 0.00 2.14 1.84 0.00 3.25 0.00 0.00 3.20 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 48 M 7.15 3.39 0.00 1.78 1.88 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 49 L 7.84 4.07 0.00 1.68 1.69 0.67 0.81 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 50 L 7.28 3.95 0.00 1.80 1.81 1.01 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 51 S 7.91 4.56 0.00 3.98 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 52 H 8.48 4.53 0.00 3.08 3.40 0.00 5.95 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.38 3.62 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 0.73 0.00 0.00 0.91 0.00 0.00 54 D 7.49 4.13 0.00 1.97 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.36 4.36 1.89 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 1.31 0.97 0.91 0.00 0.00 56 I 7.93 3.90 1.95 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 1.54 1.23 1.04 0.00 0.00 57 N 8.23 4.49 0.00 2.80 2.93 0.00 0.00 6.88 7.66 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 58 E 7.97 4.43 0.00 2.00 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 2.33 2.40 0.00 59 V 7.42 3.92 2.15 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 0.83 0.00 0.00 1.10 0.00 0.00 60 I 8.10 3.32 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.08 1.08 0.00 0.00 61 H 8.00 4.59 0.00 3.03 3.14 0.00 5.60 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 7.40 5.00 0.00 3.15 2.88 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 63 T 7.60 3.59 4.27 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 0.00 0.00 1.24 0.00 0.00 64 R 8.62 4.23 0.00 1.92 1.93 0.00 3.24 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00