NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4570 8.3049 120.3533 55.3834 33.0078 174.5946 2 D 4.5714 8.6868 126.7198 52.9669 42.2991 174.6792 3 I 4.5065 8.8884 125.3630 61.0545 39.8718 174.0298 4 Y 4.9097 8.9685 122.9594 56.1319 41.5384 174.7307 5 V 4.9190 8.9848 122.2504 60.9237 34.9318 174.1962 6 C 3.3848 8.9303 129.1536 59.2231 31.6256 174.4893 7 T 3.8885 8.4752 117.5201 63.8800 69.0184 176.3285 8 V 3.7414 7.7480 121.9589 65.3557 31.6600 176.1354 9 C 4.6749 7.8694 109.5480 56.9969 30.7642 174.6973 10 G 3.9221 8.4681 109.1375 45.1497 0.0000 173.2119 11 Y 4.2443 7.8075 121.3137 58.0092 40.1335 174.3950 12 E 5.0606 7.8137 124.8834 54.6936 31.6378 174.8343 13 Y 4.3321 9.4448 127.5067 57.2983 40.1410 173.5939 14 D 4.8065 7.8452 127.6515 51.6113 42.6106 174.8807 15 P 4.1523 0.0000 0.0000 65.6706 31.3923 178.4196 16 A 4.2541 8.0140 120.9323 53.9536 18.4325 178.0909 17 K 4.2709 7.8942 114.3263 55.4912 34.1910 178.6599 18 G 4.0393 7.8578 106.8740 45.9188 0.0000 174.7661 19 D 4.9156 8.6246 111.9128 52.5137 42.9554 174.3459 20 P 4.3543 0.0000 0.0000 65.1889 31.9516 178.6126 21 D 4.3528 8.2697 116.6993 56.9429 40.8277 177.1643 22 S 4.6301 8.3460 113.2001 58.0321 62.9035 174.2973 23 G 3.7918 8.3901 108.2332 46.5153 0.0000 173.9738 24 I 4.3192 7.6037 120.8406 58.7850 38.3456 175.7955 25 K 4.4544 8.3222 125.1416 55.0428 32.7681 175.1055 26 P 4.1388 0.0000 0.0000 64.7057 31.5715 177.0481 27 G 3.9343 9.1963 111.0274 45.4008 0.0000 173.4541 28 T 4.1286 7.2795 117.2690 62.6489 69.0421 175.0818 29 K 4.3243 8.4448 125.9885 55.8724 33.2435 177.6728 30 F 3.4449 9.0254 123.6566 61.3336 39.2270 177.4197 31 E 3.7678 8.0816 118.2303 58.9056 29.3007 177.2318 32 D 4.5314 7.5415 116.3676 54.0283 41.3148 176.7535 33 L 3.7808 6.8947 120.6608 53.3207 42.2526 175.3973 34 P 4.3405 0.0000 0.0000 62.5897 31.8586 176.7938 35 D 4.4101 8.4548 118.6289 56.2517 41.3268 176.4037 36 D 4.6609 7.8894 116.5287 53.4465 40.1281 176.1926 37 W 4.2990 8.0716 131.6469 57.6573 31.7034 174.6327 38 A 4.6280 7.0434 126.5685 49.3871 22.2618 175.2086 39 C 3.5884 8.7002 120.6553 59.1279 31.8711 173.4129 40 P 4.0609 0.0000 0.0000 65.0384 31.3667 177.7712 41 V 3.8423 7.3438 117.1576 64.4497 31.7782 176.0450 42 C 4.6158 7.9336 110.6106 57.0766 30.9933 174.7797 43 G 3.7851 8.1705 108.4662 45.0234 0.0000 173.8591 44 A 4.0978 7.5204 122.6042 51.8242 19.1901 177.1821 45 S 4.5030 8.4128 114.6550 57.6567 63.4996 174.9836 46 K 4.0998 8.5114 125.8132 60.0023 31.8756 178.1321 47 D 4.7578 8.4336 115.6425 55.4992 40.9300 176.5762 48 A 4.4404 8.6438 122.7667 52.6800 19.0087 176.9281 49 F 5.2030 8.4825 115.5352 56.3760 40.6321 175.2079 50 E 4.9143 9.1504 119.3526 54.0032 33.2341 174.8885 51 K 2.9654 8.2677 122.5994 56.0449 32.9499 176.3780 52 Q 4.1042 8.2782 127.9513 56.3470 28.5996 175.3815 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 4.46 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.61 0.00 2 D 8.69 4.57 0.00 3.03 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 3 I 8.89 4.51 1.84 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 1.30 0.69 0.97 0.00 0.00 4 Y 8.97 4.91 0.00 2.73 2.76 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 5 V 8.98 4.92 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 1.04 0.00 0.00 0.91 0.00 0.00 6 C 8.93 3.38 0.00 2.21 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 7 T 8.48 3.89 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 1.23 0.00 0.00 8 V 7.75 3.74 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 0.81 0.00 0.00 0.91 0.00 0.00 9 C 7.87 4.67 0.00 3.08 2.96 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 10 G 8.47 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 0.00 0.00 0.00 11 Y 7.81 4.24 0.00 3.13 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 12 E 7.81 5.06 0.00 1.66 1.74 0.00 0.00 0.00 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 2.21 0.00 13 Y 9.44 4.33 0.00 3.38 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 14 D 7.85 4.81 0.00 2.57 2.29 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 15 P 0.00 4.15 0.00 2.27 2.56 0.00 3.68 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.24 0.00 16 A 8.01 4.25 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.89 4.27 0.00 1.75 1.84 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.46 7.81 18 G 7.86 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.62 4.92 0.00 3.13 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 20 P 0.00 4.35 0.00 2.26 2.13 0.00 3.74 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 21 D 8.27 4.35 0.00 2.73 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 22 S 8.35 4.63 0.00 4.30 4.11 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 23 G 8.39 3.79 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 0.00 0.00 0.00 24 I 7.60 4.32 2.16 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.88 0.86 0.00 0.00 25 K 8.32 4.45 0.00 1.82 1.73 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.54 1.47 7.81 26 P 0.00 4.14 0.00 2.03 2.16 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.23 0.00 27 G 9.20 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 T 7.28 4.13 4.27 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 1.09 0.00 0.00 29 K 8.44 4.32 0.00 1.81 1.95 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.45 7.81 30 F 9.03 3.44 0.00 2.72 2.56 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 31 E 8.08 3.77 0.00 1.93 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 2.35 2.43 0.00 32 D 7.54 4.53 0.00 2.67 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 33 L 6.89 3.78 0.00 0.84 0.90 -1.33 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.34 0.00 2.39 2.13 0.00 3.51 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.92 0.00 35 D 8.45 4.41 0.00 2.61 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 36 D 7.89 4.66 0.00 2.81 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 37 W 8.07 4.30 0.00 3.34 3.04 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 0.00 0.00 0.00 38 A 7.04 4.63 0.90 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 39 C 8.70 3.59 0.00 3.18 2.76 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 40 P 0.00 4.06 0.00 1.82 1.98 0.00 2.55 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.04 0.00 41 V 7.34 3.84 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 0.85 0.00 0.00 0.98 0.00 0.00 42 C 7.93 4.62 0.00 3.04 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 43 G 8.17 3.79 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 0.00 0.00 0.00 44 A 7.52 4.10 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 45 S 8.41 4.50 0.00 3.90 3.80 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 46 K 8.51 4.10 0.00 2.07 1.87 0.00 1.38 0.00 0.00 1.40 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.11 7.81 47 D 8.43 4.76 0.00 2.80 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 48 A 8.64 4.44 1.43 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 49 F 8.48 5.20 0.00 3.41 3.15 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 0.00 0.00 0.00 0.00 50 E 9.15 4.91 0.00 1.95 2.02 0.00 0.00 0.00 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 2.16 0.00 51 K 8.27 2.97 0.00 1.13 1.45 0.00 1.95 0.00 0.00 1.48 0.00 0.00 2.66 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.08 0.73 7.81 52 Q 8.28 4.10 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.32 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00