NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6653 8.1633 120.2872 55.7486 33.9632 173.4254 2 Y 5.0119 8.6704 116.3475 55.1446 40.7833 173.7844 3 I 4.9168 9.9621 116.1582 59.3877 42.2147 173.7789 4 I 5.1664 8.9528 122.4355 58.6765 41.3637 175.1987 5 F 5.3618 7.1744 117.6986 56.2036 41.2016 172.4756 6 R 5.7062 8.3912 114.7317 54.3812 34.1424 175.4368 7 C 4.4137 8.6546 123.5765 58.6265 32.6003 173.8688 8 D 4.3827 8.0377 121.4897 57.5998 40.3606 177.8671 9 C 4.2824 8.0121 113.5853 60.2772 27.9886 174.1219 10 G 3.8751 8.3794 108.3787 45.8715 0.0000 174.6955 11 R 4.2926 7.5590 119.1072 55.8423 32.0496 174.6182 12 A 5.4114 7.8577 117.4641 52.6179 22.3012 176.0965 13 L 4.6691 7.7851 118.8970 53.7411 46.6090 174.1517 14 Y 5.4134 7.3930 115.7752 55.3203 41.2586 174.6086 15 S 4.7882 8.4804 114.5897 57.5692 66.0765 172.8016 16 R 4.2004 8.4272 116.0304 55.5312 30.8602 175.1914 17 E 4.0870 8.6013 122.9321 59.7009 29.5746 175.6559 18 G 3.4350 8.8798 122.2900 45.1438 0.0000 171.9602 19 A 4.0790 7.3232 125.1378 52.0044 18.2467 177.1996 20 K 4.3640 8.5818 123.0138 59.0361 34.0221 177.1779 21 T 4.4346 7.4539 109.7193 60.6182 70.9314 174.0788 22 R 4.3534 8.3602 127.7357 55.1571 33.1166 175.1514 23 K 4.6569 8.1813 118.9695 55.7952 35.6259 175.2089 24 C 4.6018 8.6509 127.2405 57.8785 32.5285 174.8073 25 V 3.7374 8.5864 125.9310 65.3614 31.5686 176.4998 26 C 4.1446 7.9597 119.2741 61.9048 32.1434 171.5333 27 G 3.0975 6.6110 107.2199 43.7357 0.0000 171.4259 28 R 4.5173 6.9405 115.1284 56.4541 33.5326 174.8394 29 T 4.9154 8.0616 113.6741 62.2963 73.2386 173.2612 30 V 4.1401 8.1211 125.6049 61.4352 33.5631 174.0172 31 N 4.8810 8.3774 127.0197 52.4354 40.0610 175.6590 32 V 4.1446 7.6170 119.8406 60.9603 33.0025 175.2350 33 K 4.2388 8.7517 122.6583 57.4590 32.5514 176.4063 34 D 4.6762 8.5671 118.4154 56.5478 42.9074 177.5937 35 R 4.2290 7.9456 118.2105 56.9147 28.2853 177.3063 36 R 3.9737 9.0122 114.3948 57.1229 29.9737 176.3610 37 I 4.6035 7.7261 119.5334 60.6477 42.2514 174.0370 38 F 4.3768 8.8760 124.7249 58.2036 40.1759 174.7686 39 G 4.2547 9.1184 112.6852 46.5738 0.0000 172.3038 40 R 4.2235 8.2199 124.7752 54.5655 29.2269 174.2078 41 A 4.5367 8.3403 126.7314 50.5071 20.1161 177.7994 42 D 4.4347 8.7988 123.2123 56.7071 42.0944 176.9046 43 D 4.7349 7.7562 118.8104 53.0776 42.5568 177.0688 44 F 3.5269 8.6755 125.4123 61.3350 38.8101 177.3557 45 E 3.6139 7.9315 117.6466 59.3389 29.2837 179.0210 46 E 3.9137 7.8733 117.7129 58.7255 29.5119 178.9714 47 A 3.7781 7.5029 121.2343 55.2837 18.5405 179.5900 48 S 3.7282 6.8353 110.5066 61.3794 62.1651 176.3220 49 E 3.8943 7.5892 120.4406 59.2054 29.0933 179.2614 50 L 3.9402 8.0480 119.3746 57.6596 41.6613 179.6918 51 V 3.4628 7.8173 118.3169 65.7913 31.2068 178.0413 52 R 3.8411 7.5399 117.1911 59.4368 29.9957 178.4123 53 K 4.0813 7.5157 117.2801 59.3338 32.1313 179.1405 54 L 3.9307 7.8113 118.1430 57.4525 41.7830 178.1635 55 Q 4.2655 7.5810 117.3777 55.0383 31.9383 175.4084 56 E 4.2902 8.4227 118.2249 56.5358 29.0625 177.8310 57 E 4.2234 7.8037 119.5164 56.2553 30.2592 177.9581 58 K 4.2810 8.6089 123.9470 56.8269 32.4878 175.9160 59 Y 4.1575 8.1029 121.3702 55.6871 39.5825 176.4280 60 G 4.8846 8.2130 126.7593 47.4273 0.0000 173.7884 61 S 4.5249 7.5427 120.4389 57.2491 61.4913 173.4418 62 C 4.4597 7.8955 122.6597 58.5473 26.7736 172.5538 63 H 4.6433 8.1756 117.2771 56.9757 30.9864 174.7096 64 F 4.0902 7.8837 117.3267 58.1068 39.3216 174.8236 65 T 4.5735 7.6499 120.6650 62.2534 70.7917 174.8139 66 N 4.6650 8.3857 122.0679 52.2782 39.5774 174.6588 67 P 4.4565 0.0000 0.0000 65.1677 31.5324 177.7283 68 S 4.5697 7.9811 109.3318 58.6975 64.9706 173.5876 69 K 4.4404 7.7498 125.4647 57.1483 29.7487 177.8885 70 R 4.1398 8.9728 113.6165 58.4078 30.6762 175.8636 71 E 4.2772 7.9489 120.6507 56.6017 29.6376 176.4156 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 4.67 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.57 0.00 2 Y 8.67 5.01 0.00 3.17 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 3 I 9.96 4.92 2.07 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.33 1.03 0.00 0.00 4 I 8.95 5.17 2.15 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 0.83 2.13 0.76 0.00 0.00 5 F 7.17 5.36 0.00 3.06 3.19 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 6 R 8.39 5.71 0.00 1.87 1.83 0.00 3.17 0.00 0.00 3.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.29 0.00 7 C 8.65 4.41 0.00 3.01 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 8 D 8.04 4.38 0.00 2.77 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 9 C 8.01 4.28 0.00 2.97 2.97 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 10 G 8.38 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 11 R 7.56 4.29 0.00 1.87 1.91 0.00 3.32 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.57 0.00 12 A 7.86 5.41 1.08 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 0.00 0.00 13 L 7.79 4.67 0.00 1.70 1.44 0.99 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.39 5.41 0.00 3.10 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 S 8.48 4.79 0.00 4.32 4.07 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 0.00 0.00 0.00 0.00 16 R 8.43 4.20 0.00 1.81 1.87 0.00 2.99 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 17 E 8.60 4.09 0.00 2.21 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 2.36 2.33 0.00 18 G 8.88 3.43 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 0.00 0.00 0.00 0.00 19 A 7.32 4.08 1.11 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 0.00 0.00 20 K 8.58 4.36 0.00 1.73 1.82 0.00 1.64 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.48 7.81 21 T 7.45 4.43 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 22 R 8.36 4.35 0.00 1.25 1.74 0.00 3.13 0.00 0.00 3.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.93 0.00 23 K 8.18 4.66 0.00 1.67 1.58 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.55 7.81 24 C 8.65 4.60 0.00 3.06 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 25 V 8.59 3.74 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 0.90 0.00 0.00 0.93 0.00 0.00 26 C 7.96 4.14 0.00 2.97 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 27 G 6.61 3.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 6.94 4.52 0.00 1.84 2.03 0.00 2.92 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 29 T 8.06 4.92 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 1.25 0.00 0.00 30 V 8.12 4.14 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 1.35 0.00 0.00 0.98 0.00 0.00 31 N 8.38 4.88 0.00 2.94 2.71 0.00 0.00 6.82 7.62 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 32 V 7.62 4.14 2.25 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 0.44 0.00 0.00 1.07 0.00 0.00 33 K 8.75 4.24 0.00 1.81 1.79 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.13 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.48 1.31 7.81 34 D 8.57 4.68 0.00 2.68 2.70 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 0.00 0.00 0.00 0.00 35 R 7.95 4.23 0.00 1.72 1.25 0.00 3.26 0.00 0.00 3.21 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 36 R 9.01 3.97 0.00 1.85 1.76 0.00 3.26 0.00 0.00 3.22 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 37 I 7.73 4.60 1.95 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.69 1.13 0.00 0.00 38 F 8.88 4.38 0.00 3.12 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 39 G 9.12 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 0.00 0.00 0.00 0.00 40 R 8.22 4.22 0.00 1.82 1.92 0.00 3.44 0.00 0.00 3.45 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 41 A 8.34 4.54 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 42 D 8.80 4.43 0.00 2.68 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 43 D 7.76 4.73 0.00 2.67 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.68 3.53 0.00 2.75 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 45 E 7.93 3.61 0.00 2.01 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 46 E 7.87 3.91 0.00 2.07 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 2.33 2.30 0.00 47 A 7.50 3.78 0.83 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 0.00 0.00 48 S 6.84 3.73 0.00 3.27 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 49 E 7.59 3.89 0.00 2.08 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 50 L 8.05 3.94 0.00 1.92 1.66 0.93 1.05 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 51 V 7.82 3.46 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 0.93 0.00 0.00 1.01 0.00 0.00 52 R 7.54 3.84 0.00 1.90 2.03 0.00 3.33 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 53 K 7.52 4.08 0.00 1.73 1.79 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.39 7.81 54 L 7.81 3.93 0.00 1.69 1.52 -0.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 7.58 4.27 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.61 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 56 E 8.42 4.29 0.00 1.95 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 2.30 2.26 0.00 57 E 7.80 4.22 0.00 2.01 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 2.40 2.46 0.00 58 K 8.61 4.28 0.00 1.72 1.77 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.40 7.81 59 Y 8.10 4.16 0.00 3.01 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 60 G 8.21 4.88 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 61 S 7.54 4.52 0.00 3.96 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 C 7.90 4.46 0.00 2.90 2.85 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 63 H 8.18 4.64 0.00 3.11 3.11 0.00 5.70 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 7.88 4.09 0.00 2.95 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.65 4.57 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 1.22 0.00 0.00 66 N 8.39 4.66 0.00 2.84 2.74 0.00 0.00 7.08 8.04 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 67 P 0.00 4.46 0.00 2.12 2.31 0.00 3.75 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 68 S 7.98 4.57 0.00 3.99 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 69 K 7.75 4.44 0.00 1.86 1.07 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.56 7.81 70 R 8.97 4.14 0.00 1.85 1.95 0.00 3.26 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 71 E 7.95 4.28 0.00 1.90 1.78 0.00 0.00 0.00 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 2.42 0.00