NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.4989 8.1876 121.9595 56.0564 30.8315 173.7105 3 I 4.7606 8.2705 118.7594 58.6795 41.6955 173.0894 4 F 5.3504 9.4226 121.0365 55.6836 43.1971 176.1614 5 V 4.9267 8.8278 121.1280 61.2293 34.5332 174.2233 6 K 4.9743 8.9499 127.5083 54.8874 34.9971 176.2094 7 T 4.7450 8.2782 114.3766 60.0747 70.8717 174.5883 8 L 4.1587 8.7129 120.8301 57.8701 41.6712 178.6499 9 T 4.3366 7.7800 112.3675 64.4525 70.2665 174.9806 10 G 3.8983 7.6612 109.1491 44.4130 0.0000 173.1272 11 K 4.1826 8.1989 118.4218 56.4371 32.5719 177.5416 12 T 4.5495 8.2305 118.2399 63.6210 69.4873 173.9384 13 I 4.7598 8.4838 116.5491 59.5433 41.1906 174.1524 14 T 4.9033 8.4880 119.8968 61.9288 70.7482 173.8054 15 L 4.8071 8.5286 124.5568 52.9403 45.9441 175.2238 16 E 4.7970 8.6731 121.7373 55.1856 30.6621 175.8396 17 V 4.6483 8.2225 116.5340 59.6854 36.2508 174.1391 18 E 4.8026 9.3154 119.3727 53.7874 32.9824 175.6319 19 P 4.2656 0.0000 0.0000 65.8750 31.5023 179.0235 20 S 4.1871 7.9527 110.9745 60.3935 63.4747 174.3736 21 D 4.5540 7.9858 122.9080 54.6016 41.1586 176.4645 22 T 4.5661 8.5050 114.3857 61.3128 70.9706 175.8842 23 I 3.7214 8.3696 122.6389 64.3474 36.9601 178.2830 24 E 3.9147 8.1977 120.2568 59.6064 29.4339 178.6932 25 N 4.3005 8.2318 116.2617 56.3067 38.5480 177.6010 26 V 3.5691 7.7923 119.5794 65.9917 31.5765 178.2595 27 K 4.2086 8.5871 119.5258 58.9075 31.8290 179.2144 28 A 4.0006 8.2147 121.2242 54.9198 18.2794 179.8735 29 K 3.9924 8.0565 117.3143 59.4964 32.0059 179.7055 30 I 3.7178 7.9478 120.3387 64.2766 37.0055 178.1030 31 Q 4.1359 8.2810 122.0939 58.8785 28.6431 178.3044 32 D 4.4968 7.9463 118.7253 57.0449 40.8735 178.3929 33 K 4.2443 7.7755 118.1156 58.0967 32.3659 177.5402 34 E 4.5243 8.5752 115.4198 55.0273 31.5580 176.8680 35 G 3.9567 8.5981 107.2043 44.9329 0.0000 173.6864 36 I 3.9244 7.4676 121.9846 59.9791 37.8963 173.7207 37 P 4.4677 0.0000 0.0000 61.9054 32.1903 175.3769 38 P 4.2527 0.0000 0.0000 65.9268 31.3373 177.9366 39 D 4.5362 8.0268 114.9029 55.0934 39.7050 176.5332 40 Q 4.4014 8.1439 118.9710 56.0094 29.0216 174.4136 41 Q 4.9254 8.0538 118.6605 54.0997 31.5882 174.7094 42 R 4.8057 8.7868 122.1701 54.3287 33.4010 174.5500 43 L 5.3092 8.5213 123.0451 53.0389 44.8729 175.4075 44 I 5.0591 8.7712 123.2669 59.5636 41.4981 174.4274 45 F 4.9502 9.2803 128.2266 56.9325 42.6708 174.2922 46 A 3.5534 9.4503 130.3690 53.1384 15.8667 177.2740 47 G 3.9584 8.5084 107.4929 45.8358 0.0000 173.8607 48 K 4.4844 7.9388 121.3079 54.1376 34.4447 174.4025 49 Q 4.6231 8.5777 127.5487 55.6854 29.4141 175.3586 50 L 4.0355 8.6531 127.6570 54.6801 42.9012 176.2685 51 E 4.6572 9.2862 122.3838 54.7084 31.5173 176.6838 52 D 4.4355 9.2209 124.4405 57.7031 41.1435 179.5263 53 G 3.6270 8.0177 106.0456 48.0910 0.0000 174.1640 54 R 4.2257 7.9341 118.6379 56.1003 31.0763 175.5358 55 T 4.9523 8.1278 109.4583 59.7680 71.4363 175.7403 56 L 4.0984 8.4819 122.1045 58.1099 41.5036 179.6745 57 S 4.0668 8.1630 112.9319 61.8442 62.0317 176.1316 58 D 4.2805 7.8345 119.8263 56.7688 40.5349 177.3670 59 Y 4.5602 7.2762 113.5899 56.6088 38.6449 174.9616 60 N 4.1693 8.0728 116.4153 54.0466 36.9525 174.6368 61 I 3.6136 7.5850 118.6608 61.1604 37.6404 176.4123 62 Q 4.5631 8.2729 124.6828 53.3949 31.0908 174.9281 63 K 4.1738 8.2267 117.9407 58.4083 32.9608 177.0597 64 E 4.0614 9.2522 119.7338 56.9339 27.9585 175.0625 65 S 4.5622 7.8294 115.3283 59.2157 64.3130 173.2248 66 T 5.1938 8.6541 118.7557 62.1092 70.2404 173.9613 67 L 4.9418 9.0883 127.0468 53.9574 44.2320 175.1684 68 H 5.2426 9.3821 119.5248 54.0509 31.2937 173.1755 69 L 5.1044 8.8893 125.8024 53.4828 43.6816 175.8975 70 V 4.5912 8.6241 118.9222 59.5603 35.4468 174.5008 71 L 5.0907 8.3837 123.7003 52.7879 43.5334 176.5347 72 R 4.1269 8.5649 122.5693 56.9876 29.6107 176.0377 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 2 Q 8.19 4.50 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.66 0.00 0.00 0.00 0.00 0.00 1.73 2.07 0.00 3 I 8.27 4.76 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.60 0.86 0.00 0.00 4 F 9.42 5.35 0.00 3.00 2.94 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 0.00 0.00 0.00 5 V 8.83 4.93 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 1.04 0.00 0.00 0.94 0.00 0.00 6 K 8.95 4.97 0.00 1.52 1.60 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.30 7.81 7 T 8.28 4.74 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 1.28 0.00 0.00 8 L 8.71 4.16 0.00 1.66 1.79 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.78 4.34 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 1.21 0.00 0.00 10 G 7.66 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 8.20 4.18 0.00 1.77 1.78 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.47 7.81 12 T 8.23 4.55 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 13 I 8.48 4.76 1.88 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 1.25 1.05 0.97 0.00 0.00 14 T 8.49 4.90 4.18 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 0.00 0.00 0.00 1.05 0.00 0.00 15 L 8.53 4.81 0.00 1.46 1.44 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.67 4.80 0.00 1.80 1.84 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 2.19 2.23 0.00 17 V 8.22 4.65 2.14 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 0.70 0.00 0.00 0.88 0.00 0.00 18 E 9.32 4.80 0.00 1.87 1.77 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 2.19 2.36 0.00 19 P 0.00 4.27 0.00 2.16 2.10 0.00 3.58 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 20 S 7.95 4.19 0.00 3.96 3.99 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 21 D 7.99 4.55 0.00 2.84 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 8.50 4.57 4.46 0.00 0.00 0.00 0.00 0.00 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 8.37 3.72 2.07 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 1.76 1.02 0.92 0.00 0.00 24 E 8.20 3.91 0.00 2.22 1.96 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 2.32 2.41 0.00 25 N 8.23 4.30 0.00 3.03 2.85 0.00 0.00 6.72 6.96 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 26 V 7.79 3.57 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 1.01 0.00 0.00 0.92 0.00 0.00 27 K 8.59 4.21 0.00 2.00 1.85 0.00 1.80 0.00 0.00 1.93 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.54 7.81 28 A 8.21 4.00 1.38 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 0.00 0.00 0.00 29 K 8.06 3.99 0.00 2.01 1.85 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.60 7.81 30 I 7.95 3.72 2.14 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 0.79 0.95 0.00 0.00 31 Q 8.28 4.14 0.00 2.22 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 32 D 7.95 4.50 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 33 K 7.78 4.24 0.00 1.89 1.86 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 34 E 8.58 4.52 0.00 1.99 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 2.23 2.36 0.00 35 G 8.60 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 0.00 0.00 0.00 36 I 7.47 3.92 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 1.47 1.13 0.91 0.00 0.00 37 P 0.00 4.47 0.00 2.40 2.18 0.00 3.72 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.99 0.00 38 P 0.00 4.25 0.00 2.20 2.22 0.00 3.59 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 39 D 8.03 4.54 0.00 2.77 2.80 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 0.00 0.00 0.00 40 Q 8.14 4.40 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 41 Q 8.05 4.93 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.51 0.00 42 R 8.79 4.81 0.00 1.88 1.80 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 43 L 8.52 5.31 0.00 1.55 1.53 0.91 0.76 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 44 I 8.77 5.06 2.01 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 0.67 0.90 0.00 0.00 45 F 9.28 4.95 0.00 2.96 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 46 A 9.45 3.55 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.51 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 0.00 0.00 0.00 48 K 7.94 4.48 0.00 1.80 1.61 0.00 1.78 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.39 7.81 49 Q 8.58 4.62 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 50 L 8.65 4.04 0.00 1.44 1.31 0.71 0.28 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 9.29 4.66 0.00 2.05 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 2.30 2.37 0.00 52 D 9.22 4.44 0.00 2.72 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 53 G 8.02 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 4.23 0.00 2.14 1.59 0.00 2.73 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 55 T 8.13 4.95 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 56 L 8.48 4.10 0.00 1.89 1.73 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.16 4.07 0.00 4.05 3.84 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 58 D 7.83 4.28 0.00 2.46 2.34 0.00 0.00 0.00 0.00 0.00 0.00 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 7.28 4.56 0.00 3.14 2.90 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 60 N 8.07 4.17 0.00 2.91 2.92 0.00 0.00 6.96 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 7.58 3.61 1.68 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.04 0.61 0.00 0.00 62 Q 8.27 4.56 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.07 0.00 0.00 0.00 0.00 0.00 2.51 2.38 0.00 63 K 8.23 4.17 0.00 1.86 1.82 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.49 7.81 64 E 9.25 4.06 0.00 2.25 2.43 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 2.30 2.52 0.00 65 S 7.83 4.56 0.00 3.81 3.94 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 0.00 0.00 0.00 66 T 8.65 5.19 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 1.16 0.00 0.00 67 L 9.09 4.94 0.00 1.60 1.61 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.38 5.24 0.00 3.03 3.22 0.00 5.58 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.89 5.10 0.00 1.59 1.56 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.62 4.59 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 0.80 0.00 0.00 0.94 0.00 0.00 71 L 8.38 5.09 0.00 1.52 1.58 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.56 4.13 0.00 1.81 1.84 0.00 3.29 0.00 0.00 3.42 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00