NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3403 8.1744 110.9428 61.2403 70.6543 173.4485 6 N 4.7316 7.8963 120.4620 53.2568 39.3257 173.2780 7 S 4.5169 8.1337 112.4178 57.3034 65.0207 172.9425 8 D 4.8605 8.5012 121.3290 54.5367 42.3004 174.5098 9 F 5.3500 8.0048 115.8359 55.2251 41.3996 174.0368 10 V 4.5031 8.8287 113.0583 59.6226 34.9224 174.7742 11 V 4.7763 8.5634 123.8721 61.3709 33.6902 174.4655 12 I 4.9055 8.9709 128.6137 59.3524 40.6647 174.1374 13 K 4.9846 9.2379 128.9203 54.1862 34.3696 175.1101 14 A 4.3646 8.7517 130.5619 52.3881 19.1501 177.3688 15 L 4.6957 8.8991 122.0306 54.4652 42.6651 175.7592 16 E 4.6472 7.6453 115.7241 55.1261 32.2158 174.3325 17 D 4.4345 8.3980 119.0913 55.4492 41.3675 176.8423 18 G 3.8685 8.1158 109.8181 46.0244 0.0000 173.9604 19 V 3.8454 7.4366 120.5502 63.0398 32.7006 174.5071 20 N 5.2788 9.0502 125.3842 51.6347 40.9331 173.8119 21 V 4.5065 8.8224 125.2269 61.3598 33.5397 174.2752 22 I 4.5099 8.7942 130.0536 59.3422 39.6613 174.9843 23 G 4.0877 8.6429 115.3292 45.0309 0.0000 172.5691 24 L 5.2466 8.9859 126.6693 53.4656 43.6413 176.5109 25 T 4.4174 8.6730 114.2770 61.8223 69.2123 174.2487 26 R 4.4055 7.9464 125.7765 57.1707 30.8771 175.0278 27 G 3.8142 8.7567 108.6252 44.2268 0.0000 173.1931 28 A 4.0616 8.7294 121.2094 54.4322 18.7141 177.7155 29 D 4.8326 7.8335 113.8696 53.1031 42.7053 176.2083 30 T 4.5308 8.2932 121.7589 61.4798 69.4320 172.9056 31 R 4.9255 8.7331 122.3436 53.6373 33.8669 174.5983 32 F 4.8294 9.0995 118.4391 58.2563 38.8074 175.1157 33 H 5.0126 8.9214 117.8160 56.4009 30.8998 173.8626 34 H 4.8760 7.6122 117.4287 54.5844 33.5077 171.9493 35 S 4.7210 8.2891 119.3889 56.4037 64.5830 172.3300 36 E 4.4667 9.0566 129.4680 54.7355 31.1091 174.6384 37 K 4.8963 8.6093 126.7320 55.4605 33.4565 175.9321 38 L 4.9382 9.0949 125.2633 53.1107 44.6718 176.2533 39 D 4.7331 9.3759 123.8376 52.4470 43.2772 175.8868 40 K 4.0980 9.0898 121.7516 58.5437 32.3020 176.7042 41 G 4.0584 9.0445 115.5560 45.2906 0.0000 173.6461 42 E 4.2579 8.0572 119.2126 56.2900 30.8246 176.0888 43 V 4.9228 8.2841 121.7402 61.0295 34.3122 174.2235 44 L 4.7744 8.9926 129.7023 53.2382 44.8421 174.8375 45 I 5.0583 8.4470 126.0358 59.5553 39.5877 174.6918 46 A 4.6853 9.0692 129.1678 50.1589 21.9476 175.3279 47 Q 4.7868 8.6083 121.0004 54.7965 30.5403 175.7640 48 F 4.6791 8.5266 120.4738 58.0417 38.4944 175.0988 49 T 4.6820 9.0333 111.1891 60.0817 71.9998 173.9121 50 E 4.0928 8.9473 121.3877 59.5351 29.4845 177.3969 51 H 4.5645 7.7784 113.4973 56.3323 29.8178 174.3546 52 T 5.2934 8.0918 116.6038 61.8846 71.3033 174.4445 53 S 4.9864 8.9981 120.0967 57.9436 65.0329 173.4859 54 A 5.1253 7.9963 122.0995 50.8950 22.6462 175.0234 55 I 4.9501 8.6973 122.0057 59.3147 40.1984 174.7939 56 K 4.6044 9.0174 128.4674 54.4976 34.8165 174.6868 57 V 4.8288 8.3867 126.3382 61.2205 33.7005 174.5163 58 R 4.5595 9.2058 127.2738 55.6659 32.6965 177.0692 59 G 4.1389 8.9086 108.1495 44.4269 0.0000 172.5179 60 K 4.6793 9.5540 120.4374 55.8281 32.9839 175.5967 61 A 5.1366 8.5770 127.0312 50.9039 23.4412 173.7223 62 Y 4.9859 9.0739 122.0772 56.1461 41.0738 174.5548 63 I 4.9255 8.3029 127.0694 59.4752 41.0207 174.2742 64 Q 5.0388 8.8659 125.7660 54.3063 32.0171 174.9207 65 T 4.8410 8.5525 112.7893 59.7038 72.5125 174.5978 66 R 3.7437 8.5289 120.5975 59.5119 29.8983 176.5696 67 H 4.6273 8.1965 112.5397 55.3315 29.3890 174.1136 68 G 3.7459 6.8472 106.0652 44.0093 0.0000 173.1185 69 V 4.7580 7.6681 112.1446 60.0295 34.5343 175.2035 70 I 4.3176 7.8692 120.1712 60.3935 41.9518 172.6248 71 E 5.3229 8.7428 126.2491 54.5399 32.0633 176.1116 72 S 4.6356 8.8416 119.0155 57.9434 65.1988 172.8606 73 E 4.8643 8.6116 119.4847 54.5556 33.0398 176.2377 74 G 3.7327 8.6836 110.9852 45.7333 0.0000 173.4692 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 5 T 8.17 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 1.22 0.00 0.00 6 N 7.90 4.73 0.00 2.80 2.85 0.00 0.00 7.11 6.75 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 7 S 8.13 4.52 0.00 4.16 3.92 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 0.00 0.00 0.00 8 D 8.50 4.86 0.00 2.81 2.68 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 0.00 0.00 0.00 0.00 9 F 8.00 5.35 0.00 2.96 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 10 V 8.83 4.50 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.88 0.00 0.00 11 V 8.56 4.78 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 1.16 0.00 0.00 1.14 0.00 0.00 12 I 8.97 4.91 1.86 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 1.08 0.66 0.91 0.00 0.00 13 K 9.24 4.98 0.00 1.89 1.84 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.40 7.81 14 A 8.75 4.36 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 15 L 8.90 4.70 0.00 1.63 1.71 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.65 4.65 0.00 2.03 1.90 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 2.35 2.33 0.00 17 D 8.40 4.43 0.00 2.69 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 18 G 8.12 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.44 3.85 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 0.81 0.00 0.00 1.01 0.00 0.00 20 N 9.05 5.28 0.00 2.66 2.65 0.00 0.00 6.17 7.29 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 21 V 8.82 4.51 2.03 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 0.89 0.00 0.00 0.90 0.00 0.00 22 I 8.79 4.51 1.64 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.45 -0.35 0.00 0.00 23 G 8.64 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 24 L 8.99 5.25 0.00 1.83 1.66 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.67 4.42 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 26 R 7.95 4.41 0.00 1.88 1.97 0.00 3.20 0.00 0.00 3.07 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.76 3.81 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 0.00 0.00 0.00 28 A 8.73 4.06 1.30 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 29 D 7.83 4.83 0.00 2.64 2.59 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 30 T 8.29 4.53 4.28 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 1.27 0.00 0.00 31 R 8.73 4.93 0.00 1.90 2.03 0.00 2.82 0.00 0.00 3.48 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 32 F 9.10 4.83 0.00 2.80 3.03 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 33 H 8.92 5.01 0.00 3.14 3.47 0.00 5.75 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.61 4.88 0.00 3.26 3.05 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.29 4.72 0.00 3.65 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 36 E 9.06 4.47 0.00 2.14 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 2.24 2.32 0.00 37 K 8.61 4.90 0.00 1.65 1.72 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.51 7.81 38 L 9.09 4.94 0.00 1.51 1.54 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.38 4.73 0.00 2.56 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 40 K 9.09 4.10 0.00 1.76 1.74 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.38 7.81 41 G 9.04 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.06 4.26 0.00 2.03 1.88 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 2.33 2.39 0.00 43 V 8.28 4.92 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 0.85 0.00 0.00 0.97 0.00 0.00 44 L 8.99 4.77 0.00 1.75 1.45 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.45 5.06 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.79 0.81 0.00 0.00 46 A 9.07 4.69 1.10 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 47 Q 8.61 4.79 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 48 F 8.53 4.68 0.00 3.02 3.01 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 0.00 0.00 0.00 49 T 9.03 4.68 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 1.24 0.00 0.00 50 E 8.95 4.09 0.00 1.91 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 2.03 2.27 0.00 51 H 7.78 4.56 0.00 3.27 3.16 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.09 5.29 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 53 S 9.00 4.99 0.00 3.76 4.06 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 0.00 0.00 0.00 0.00 54 A 8.00 5.13 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 55 I 8.70 4.95 1.87 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.74 0.84 0.00 0.00 56 K 9.02 4.60 0.00 1.79 1.56 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.36 7.81 57 V 8.39 4.83 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 0.86 0.00 0.00 0.90 0.00 0.00 58 R 9.21 4.56 0.00 1.77 1.80 0.00 3.22 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 59 G 8.91 4.14 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 0.00 60 K 9.55 4.68 0.00 1.91 1.73 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.26 7.81 61 A 8.58 5.14 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 62 Y 9.07 4.99 0.00 3.05 2.84 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 63 I 8.30 4.93 1.85 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 1.17 0.83 0.82 0.00 0.00 64 Q 8.87 5.04 0.00 1.89 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.11 1.95 0.00 65 T 8.55 4.84 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 1.14 0.00 0.00 66 R 8.53 3.74 0.00 1.69 1.69 0.00 3.15 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 67 H 8.20 4.63 0.00 3.18 3.28 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.85 3.75 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 0.00 0.00 0.00 69 V 7.67 4.76 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 0.71 0.00 0.00 1.00 0.00 0.00 70 I 7.87 4.32 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.14 0.84 0.00 0.00 71 E 8.74 5.32 0.00 1.90 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 2.41 2.42 0.00 72 S 8.84 4.64 0.00 3.96 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 73 E 8.61 4.86 0.00 1.83 1.85 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 2.21 2.29 0.00 74 G 8.68 3.73 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 0.00 0.00 0.00