NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6410 8.3049 118.3334 54.9015 32.6617 175.1423 2 L 4.1067 8.4471 123.8154 54.0939 43.3577 174.5107 3 K 4.9391 9.3784 121.7806 54.6848 35.6240 174.8659 4 L 5.2322 8.4080 123.1507 52.7621 46.4766 175.1553 5 K 4.8055 9.2112 124.2803 54.8868 34.0150 174.8523 6 V 4.8162 8.3991 127.8912 61.2433 33.8446 174.9134 7 E 4.5495 9.9188 126.0976 56.0589 32.5003 175.1363 8 G 3.5299 9.3210 115.2271 45.7344 0.0000 173.1953 9 M 4.3025 8.0034 120.3190 55.8649 31.3740 175.3837 10 T 4.6137 8.4992 117.2586 61.3382 68.5806 172.6894 11 C 4.8090 7.6706 118.4696 56.3855 34.7131 174.3698 12 N 4.3868 8.8399 122.6365 56.3285 36.8566 176.7684 13 H 4.1986 8.2864 120.1393 59.2840 29.8805 176.8339 14 C 4.0698 7.9780 117.9483 62.7620 27.9988 175.9953 15 V 3.4610 7.7195 119.4165 66.3033 31.0730 177.7420 16 M 4.0336 8.2220 116.4594 58.2349 30.9282 178.2412 17 A 3.9165 7.8225 121.5669 54.9817 18.5512 179.8070 18 V 3.4353 7.7872 116.7460 66.2789 31.5299 178.0400 19 T 3.8125 8.2199 115.8995 66.8523 68.1362 176.5718 20 K 3.9517 7.8642 118.8418 59.3834 32.3444 178.8575 21 A 4.1439 8.2006 121.1883 55.4002 18.3043 179.7720 22 L 3.9914 8.1618 117.4399 57.7162 41.5016 179.5862 23 K 4.1828 7.6483 116.4612 58.3108 32.0472 178.6469 24 K 4.1803 7.5235 117.4827 56.6444 32.6902 177.1696 25 V 3.7767 7.3642 121.3058 61.2347 32.1129 173.2009 26 P 4.2784 0.0000 0.0000 65.5111 31.2412 175.8030 27 G 3.9317 8.8643 110.7502 45.1319 0.0000 172.8314 28 V 4.2169 7.5818 120.2875 62.3131 32.3862 173.7706 29 E 4.6171 8.7036 123.5153 57.2636 31.4847 175.7478 30 K 4.7789 7.7573 118.5604 55.0614 36.4256 174.3907 31 V 4.9607 8.1038 115.3342 60.3696 36.4565 174.5930 32 E 4.4678 9.1503 121.3795 55.3439 33.1792 174.5740 33 V 4.7252 8.3064 125.0333 61.1159 33.5392 175.5095 34 S 4.6138 8.3961 123.5040 57.5119 63.6985 172.8337 35 L 4.7501 8.5185 118.9998 53.9274 43.3832 176.3719 36 E 4.5660 8.2192 113.9085 56.9053 31.4430 176.9473 37 K 4.1392 8.0530 117.3053 56.0388 32.7745 176.8125 38 G 3.9782 8.1190 106.9509 46.7449 0.0000 172.5747 39 E 5.1715 7.9526 116.4119 54.3014 33.7035 175.5461 40 A 5.1319 8.2613 122.6288 50.2570 19.4547 175.6168 41 L 4.3435 8.8601 121.4991 54.4062 43.7469 176.2810 42 V 4.6537 8.3819 121.4451 61.3708 33.8761 175.5676 43 E 4.2426 9.3003 129.0971 57.6871 30.5698 176.2464 44 G 3.9759 8.0565 106.2311 46.0902 0.0000 173.3370 45 T 4.6350 8.1831 107.8034 61.2522 69.2526 175.3357 46 A 4.1603 7.9419 124.7398 52.7627 19.3604 177.7370 47 D 4.7724 8.2930 119.2196 52.8566 43.3973 176.4236 48 P 4.3007 0.0000 0.0000 65.8227 31.4681 179.0701 49 K 3.9099 8.0338 117.6225 59.4254 31.8791 179.0353 50 A 4.0743 7.8848 118.9476 54.8393 18.4506 179.3596 51 L 4.0652 7.7851 117.8712 57.9116 41.7761 179.6557 52 V 3.6082 8.0682 119.3042 65.0304 31.0510 177.8330 53 Q 3.9179 7.9618 119.2743 59.1834 28.6812 178.6129 54 A 4.0174 7.5659 119.7815 54.8143 18.5902 179.3950 55 V 3.7823 7.5610 116.4551 65.9878 31.9045 177.8995 56 E 4.4882 8.3284 119.7463 58.9880 29.0183 179.2295 57 E 4.0682 8.2251 117.9440 59.0506 29.5823 178.2965 58 E 4.3982 7.9533 116.2592 56.5994 29.7498 177.5419 59 G 3.7733 8.1552 107.6625 45.4714 0.0000 172.7759 60 Y 4.6290 7.7456 117.7129 56.1502 41.4676 173.6931 61 K 4.9574 8.5544 120.6305 55.0414 34.5692 175.0229 62 A 5.3826 9.0360 127.9795 50.7246 22.9099 174.8236 63 E 4.8354 8.9179 116.0377 54.9985 33.1722 175.3826 64 V 4.2256 8.4089 121.7284 61.4250 32.8613 175.3957 65 L 4.8001 8.2931 119.9489 54.4424 42.9579 176.8056 66 A 4.1772 7.9854 127.7343 52.4842 18.6607 178.2173 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 4.64 0.00 2.03 2.25 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 2.46 2.58 0.00 2 L 8.45 4.11 0.00 1.62 1.62 0.95 0.17 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 3 K 9.38 4.94 0.00 1.67 1.67 0.00 1.60 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.42 7.81 4 L 8.41 5.23 0.00 1.74 1.48 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 5 K 9.21 4.81 0.00 1.76 1.76 0.00 1.59 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.35 7.81 6 V 8.40 4.82 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 0.75 0.00 0.00 0.89 0.00 0.00 7 E 9.92 4.55 0.00 1.98 1.82 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 2.23 2.40 0.00 8 G 9.32 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.00 4.30 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 1.87 0.00 10 T 8.50 4.61 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 1.26 0.00 0.00 11 C 7.67 4.81 0.00 2.99 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.84 4.39 0.00 2.96 3.08 0.00 0.00 5.69 7.91 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 13 H 8.29 4.20 0.00 3.26 3.39 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 C 7.98 4.07 0.00 3.09 2.79 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 0.00 0.00 0.00 15 V 7.72 3.46 2.18 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 1.22 0.00 0.00 0.97 0.00 0.00 16 M 8.22 4.03 0.00 2.28 2.31 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.79 0.00 17 A 7.82 3.92 1.36 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 0.00 0.00 18 V 7.79 3.44 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 1.04 0.00 0.00 0.49 0.00 0.00 19 T 8.22 3.81 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 1.19 0.00 0.00 20 K 7.86 3.95 0.00 1.87 1.87 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.58 7.81 21 A 8.20 4.14 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 22 L 8.16 3.99 0.00 1.89 1.71 0.93 0.69 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 23 K 7.65 4.18 0.00 1.88 1.86 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.67 7.81 24 K 7.52 4.18 0.00 1.80 1.86 0.00 1.70 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.74 7.81 25 V 7.36 3.78 2.18 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 0.97 0.00 0.00 0.99 0.00 0.00 26 P 0.00 4.28 0.00 2.21 2.08 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 27 G 8.86 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.58 4.22 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 0.88 0.00 0.00 1.02 0.00 0.00 29 E 8.70 4.62 0.00 1.84 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 30 K 7.76 4.78 0.00 1.81 1.57 0.00 1.58 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.49 7.81 31 V 8.10 4.96 2.06 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 0.80 0.00 0.00 0.92 0.00 0.00 32 E 9.15 4.47 0.00 1.83 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 2.21 2.38 0.00 33 V 8.31 4.73 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 0.69 0.00 0.00 0.89 0.00 0.00 34 S 8.40 4.61 0.00 3.94 3.76 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 35 L 8.52 4.75 0.00 1.55 1.58 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.22 4.57 0.00 2.08 2.01 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 2.16 2.28 0.00 37 K 8.05 4.14 0.00 1.79 1.89 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.37 7.81 38 G 8.12 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 39 E 7.95 5.17 0.00 1.88 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 2.27 2.43 0.00 40 A 8.26 5.13 1.14 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 0.00 0.00 41 L 8.86 4.34 0.00 1.59 1.59 0.93 0.61 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 42 V 8.38 4.65 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 0.95 0.00 0.00 0.98 0.00 0.00 43 E 9.30 4.24 0.00 2.11 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 2.26 2.25 0.00 44 G 8.06 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 45 T 8.18 4.63 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 46 A 7.94 4.16 1.22 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 0.00 0.00 0.00 0.00 0.00 47 D 8.29 4.77 0.00 2.77 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.30 0.00 2.26 2.30 0.00 3.70 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 2.07 2.05 0.00 49 K 8.03 3.91 0.00 1.86 1.90 0.00 1.55 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.53 1.57 7.81 50 A 7.88 4.07 1.29 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 0.00 0.00 0.00 51 L 7.79 4.07 0.00 1.91 1.71 0.92 0.66 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 52 V 8.07 3.61 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 0.80 0.00 0.00 0.95 0.00 0.00 53 Q 7.96 3.92 0.00 2.32 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 54 A 7.57 4.02 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 55 V 7.56 3.78 2.18 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 1.01 0.00 0.00 0.98 0.00 0.00 56 E 8.33 4.49 0.00 2.19 2.01 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 2.45 2.38 0.00 57 E 8.23 4.07 0.00 2.15 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 0.00 2.44 2.51 0.00 58 E 7.95 4.40 0.00 2.36 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 0.00 2.59 2.50 0.00 59 G 8.16 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 60 Y 7.75 4.63 0.00 2.93 2.91 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 61 K 8.55 4.96 0.00 1.78 1.77 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.37 7.81 62 A 9.04 5.38 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.92 4.84 0.00 2.02 2.01 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 2.20 2.26 0.00 64 V 8.41 4.23 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 0.72 0.00 0.00 0.99 0.00 0.00 65 L 8.29 4.80 0.00 1.52 1.66 0.92 0.60 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 66 A 7.99 4.18 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