NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5551 8.3049 120.3289 55.4873 32.4307 174.6882 2 K 4.5503 8.3739 123.5855 53.5327 34.2881 173.4988 3 E 5.6837 7.9155 116.3569 56.7222 32.9563 176.6207 4 G 3.9310 8.3165 114.9849 47.0294 0.0000 172.9815 5 I 4.2042 8.9003 123.3611 62.1835 40.2587 175.1563 6 H 4.1833 8.2925 120.4439 55.9446 26.8050 175.7379 7 P 4.6415 0.0000 0.0000 62.7027 31.7531 173.0781 8 K 3.8704 7.8222 116.9315 55.8539 33.1346 172.8043 9 L 4.9386 8.3779 117.2518 53.4442 43.8905 177.0240 10 V 4.5447 8.1735 125.3660 61.7751 31.6187 173.1637 11 P 5.1947 0.0000 0.0000 62.0406 32.5170 174.7341 12 A 4.1439 8.1880 121.4152 55.9856 22.0586 174.6929 13 R 2.9299 8.0645 113.4398 54.5724 33.9272 174.3498 14 I 3.6099 7.5946 117.8922 59.2120 38.7189 171.3691 15 I 4.9908 8.2283 128.6105 59.5782 39.6052 174.6246 16 C 4.8049 9.1971 121.2782 56.6102 32.6205 173.4862 17 G 4.8033 9.2603 109.2942 46.8242 0.0000 171.6091 18 C 5.6497 8.0515 126.3656 59.6092 34.3149 173.6339 19 G 4.0890 7.7239 114.3025 46.2014 0.0000 175.3882 20 N 4.9630 8.9107 112.0990 53.7640 42.0049 176.4223 21 V 3.0022 7.2052 119.5758 60.1865 35.8840 176.6276 22 I 3.0984 8.2322 117.7832 61.0515 35.7594 173.9568 23 E 4.2728 8.2156 115.2752 59.5602 28.1172 178.5626 24 T 4.3544 8.6488 112.4049 63.0607 69.9905 176.0186 25 Y 4.8903 7.6185 118.3065 59.6864 40.5409 175.1917 26 S 4.8356 7.2724 113.3203 58.6950 70.0800 176.0821 27 T 4.3627 8.4623 121.1235 62.4888 70.4322 173.3105 28 K 4.5839 8.4816 128.6213 56.1173 34.2593 176.5694 29 P 5.5978 0.0000 0.0000 61.1812 29.5798 177.6451 30 E 4.8392 8.0429 112.1312 55.3620 33.6139 174.2334 31 I 4.0523 7.8181 118.1180 58.4840 39.8369 175.6481 32 Y 4.7116 7.0539 120.8181 56.3347 39.1511 175.0094 33 V 4.3298 7.2596 120.6009 62.4048 33.3852 174.0625 34 E 4.6172 8.3547 131.0838 54.7225 28.4458 175.2488 35 V 4.4579 7.7773 121.0394 61.5588 35.0318 174.8343 36 C 5.2482 8.4287 119.8671 58.2347 31.8952 173.1711 37 S 4.6771 8.8721 115.6946 56.0395 66.0409 174.2063 38 K 4.6027 8.4480 127.3855 55.0263 29.9167 179.5172 39 C 4.3815 9.4035 113.2533 60.6472 24.9148 171.2901 40 H 4.9837 8.0079 119.5598 54.1868 33.5077 172.4296 41 P 4.9590 0.0000 0.0000 62.5028 29.6019 176.0563 42 F 5.0669 8.3624 128.9529 59.0116 43.2707 171.4204 43 Y 4.6134 6.5134 117.5996 55.5792 41.1170 175.1854 44 T 4.0894 8.3025 117.2852 64.0285 74.1533 171.6570 45 G 4.8365 8.2432 108.2282 47.5150 0.0000 172.5461 46 Q 4.5824 8.0936 118.1524 54.8379 33.2763 173.8405 47 Q 4.5715 8.4981 119.3166 55.2150 31.5839 174.8936 48 R 3.8024 10.6400 122.5563 57.5104 30.1184 177.3916 49 F 5.0202 6.8319 111.8866 57.6488 39.0809 170.6244 50 V 3.0450 11.1300 126.7369 66.7918 30.2182 170.8020 51 D 4.9373 8.6025 125.4791 54.4852 42.0563 174.3921 52 T 4.0206 8.7551 127.6047 62.9643 76.0271 173.3403 53 E 4.5733 6.0995 131.6010 55.1418 29.2683 175.9696 54 G 4.2968 10.6066 108.5324 43.9239 0.0000 173.3627 55 R 4.1457 5.8400 120.4464 53.3489 29.8316 178.9073 56 V 4.2925 7.9252 117.9019 62.0531 31.4510 169.3439 57 E 5.1772 7.6762 118.0935 55.5301 34.7882 176.7512 58 R 2.8014 8.2350 118.5311 56.0163 30.3231 177.7622 59 F 4.0456 5.4600 128.4525 58.6917 39.0495 177.2579 60 Q 3.5216 8.7802 118.3623 58.2969 29.1609 179.2798 61 R 3.4272 7.7213 113.1722 59.8380 29.6065 178.3976 62 R 4.2530 6.9604 117.9361 60.2654 30.8443 177.6465 63 Y 4.2221 7.8615 117.7419 60.1301 37.9945 178.0995 64 G 2.6328 7.5755 108.0355 47.1268 0.0000 174.8979 65 D 4.3800 8.2997 121.9595 56.1194 38.4669 178.9674 66 S 4.0860 8.0715 116.0721 62.0408 62.9368 176.3549 67 Y 4.6234 8.0809 119.3260 61.4149 37.7217 179.2437 68 R 4.2287 8.1936 117.3757 57.9044 29.9677 179.0636 69 K 4.2446 9.3481 119.2140 58.9850 32.0895 179.1374 70 G 3.7063 7.8545 104.7320 49.1308 0.0000 173.2251 71 R 4.6013 7.5989 124.6825 56.3089 32.3263 174.0748 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 4.56 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 2 K 8.37 4.55 0.00 1.77 1.78 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.58 7.81 3 E 7.92 5.68 0.00 2.17 2.11 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 2.05 2.10 0.00 4 G 8.32 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 5 I 8.90 4.20 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.79 0.93 0.00 0.00 6 H 8.29 4.18 0.00 3.04 3.61 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.64 0.00 2.16 2.05 0.00 3.64 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.86 0.00 8 K 7.82 3.87 0.00 1.93 2.26 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.36 7.81 9 L 8.38 4.94 0.00 1.64 1.56 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.17 4.54 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 0.87 0.00 0.00 1.00 0.00 0.00 11 P 0.00 5.19 0.00 2.25 2.31 0.00 3.87 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 12 A 8.19 4.14 1.27 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 0.00 0.00 0.00 13 R 8.06 2.93 0.00 1.87 2.19 0.00 3.23 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 14 I 7.59 3.61 1.88 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 1.42 1.55 1.01 0.00 0.00 15 I 8.23 4.99 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 1.40 0.80 0.91 0.00 0.00 16 C 9.20 4.80 0.00 2.93 2.98 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 17 G 9.26 4.80 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 0.00 0.00 0.00 18 C 8.05 5.65 0.00 3.12 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 19 G 7.72 4.09 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 0.00 0.00 0.00 20 N 8.91 4.96 0.00 3.34 2.77 0.00 0.00 6.79 7.68 0.00 0.00 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 V 7.21 3.00 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 0.58 0.00 0.00 0.95 0.00 0.00 22 I 8.23 3.10 1.76 0.00 0.00 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 1.39 0.48 0.89 0.00 0.00 23 E 8.22 4.27 0.00 1.75 1.61 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 2.25 2.01 0.00 24 T 8.65 4.35 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 1.26 0.00 0.00 25 Y 7.62 4.89 0.00 2.88 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 26 S 7.27 4.84 0.00 3.78 3.70 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 27 T 8.46 4.36 4.21 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 1.19 0.00 0.00 28 K 8.48 4.58 0.00 1.69 1.70 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.39 7.81 29 P 0.00 5.60 0.00 2.13 1.53 0.00 3.42 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.86 0.00 30 E 8.04 4.84 0.00 2.15 2.11 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 2.23 2.23 0.00 31 I 7.82 4.05 1.63 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.81 0.72 0.00 0.00 32 Y 7.05 4.71 0.00 3.17 3.22 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 33 V 7.26 4.33 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 1.11 0.00 0.00 1.04 0.00 0.00 34 E 8.35 4.62 0.00 2.01 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 2.25 2.29 0.00 35 V 7.78 4.46 2.30 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 1.06 0.00 0.00 0.96 0.00 0.00 36 C 8.43 5.25 0.00 2.85 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 37 S 8.87 4.68 0.00 3.81 3.72 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 38 K 8.45 4.60 0.00 1.77 0.80 0.00 1.85 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.39 7.81 39 C 9.40 4.38 0.00 3.11 3.29 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 40 H 8.01 4.98 0.00 3.08 3.26 0.00 5.88 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.96 0.00 2.10 1.41 0.00 4.14 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.33 0.00 42 F 8.36 5.07 0.00 3.18 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 6.51 4.61 0.00 2.34 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 0.00 0.00 0.00 44 T 8.30 4.09 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 1.19 0.00 0.00 45 G 8.24 4.84 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 0.00 0.00 0.00 46 Q 8.09 4.58 0.00 1.92 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 47 Q 8.50 4.57 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 7.00 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00 48 R 10.64 3.80 0.00 0.67 0.66 0.00 3.04 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.24 0.00 49 F 6.83 5.02 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 50 V 11.13 3.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.99 0.00 0.00 51 D 8.60 4.94 0.00 2.77 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 52 T 8.76 4.02 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 53 E 6.10 4.57 0.00 2.01 1.56 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 2.10 2.08 0.00 54 G 10.61 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 0.00 0.00 0.00 0.00 55 R 5.84 4.15 0.00 1.92 0.95 0.00 3.30 0.00 0.00 3.31 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.77 0.00 56 V 7.93 4.29 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 0.88 0.00 0.00 0.81 0.00 0.00 57 E 7.68 5.18 0.00 1.82 1.52 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 1.84 1.99 0.00 58 R 8.24 2.80 0.00 0.67 0.66 0.00 3.21 0.00 0.00 3.36 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.36 0.00 59 F 5.46 4.05 0.00 3.07 3.12 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 0.00 0.00 0.00 0.00 60 Q 8.78 3.52 0.00 2.44 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.20 6.77 0.00 0.00 0.00 0.00 0.00 2.71 2.42 0.00 61 R 7.72 3.43 0.00 1.72 1.67 0.00 3.02 0.00 0.00 2.96 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.58 0.00 62 R 6.96 4.25 0.00 1.73 1.85 0.00 3.06 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 63 Y 7.86 4.22 0.00 3.01 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 64 G 7.58 2.63 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 65 D 8.30 4.38 0.00 2.81 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 66 S 8.07 4.09 0.00 4.09 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.08 4.62 0.00 3.09 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 68 R 8.19 4.23 0.00 1.94 1.99 0.00 3.25 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 69 K 9.35 4.24 0.00 1.89 1.90 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.49 1.77 7.81 70 G 7.85 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 71 R 7.60 4.60 0.00 1.91 2.10 0.00 3.18 0.00 0.00 3.14 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.35 0.00