NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3428 8.3044 120.3282 53.2992 33.6475 175.5357 2 E 4.1942 9.4946 129.5094 57.3726 30.6248 174.2088 3 K 4.0258 8.0003 118.2058 59.2728 33.0168 179.0543 4 V 3.5654 7.6898 117.9905 66.3106 31.8395 177.8777 5 Q 4.1842 8.2076 117.2522 59.2320 28.4493 178.4627 6 Y 3.8947 8.0910 120.4689 60.3285 38.9736 177.6892 7 L 4.0163 7.9438 119.8319 58.1703 41.8726 179.2938 8 T 3.8375 8.3549 113.4262 65.2530 67.3584 176.0858 9 R 3.8797 7.9183 120.3033 59.4367 30.1732 178.6824 10 S 4.0378 7.9412 114.9282 61.2229 62.7565 176.5512 11 A 3.9287 7.8964 123.1983 55.3883 18.0807 179.6369 12 I 3.8256 7.5171 116.8952 64.5670 37.1695 178.3704 13 R 4.0448 7.7128 118.9073 58.9172 30.1102 178.0032 14 R 4.2393 7.7214 112.9426 57.1633 29.7664 177.2506 15 A 4.5875 8.2068 121.7080 51.8231 19.1499 178.2961 16 S 4.2386 8.0210 113.5171 60.7220 63.3014 174.7386 17 T 4.6240 7.6117 111.1531 61.4275 69.1981 174.1728 18 I 4.7752 7.2805 120.1317 61.1419 41.4229 175.8359 19 E 4.7237 8.3023 120.4982 54.7346 30.4359 174.5359 20 M 4.8924 7.5330 120.1499 53.0779 36.5838 173.5042 21 P 4.2727 0.0000 0.0000 63.3000 31.2988 176.1398 22 Q 3.7522 7.6383 119.6224 57.8417 28.2241 175.7474 23 Q 4.0697 7.9813 115.3160 59.4913 28.9452 179.6473 24 A 3.9526 7.9391 120.8746 55.0405 18.5483 179.2610 25 R 3.7766 7.9230 117.1326 59.7980 30.0719 178.6492 26 Q 3.9429 7.9684 116.9235 59.1062 28.8142 178.7203 27 K 3.9763 8.3111 119.5879 59.4353 32.0117 179.4000 28 L 4.0124 8.4656 119.4587 57.9243 41.7101 179.2220 29 Q 4.0266 7.9328 117.7099 59.4538 28.8496 179.1044 30 N 4.3900 8.0208 116.7070 56.3946 38.6549 177.4033 31 L 4.0556 8.3997 120.5871 57.8672 41.6615 179.5737 32 F 4.0920 8.9221 120.7292 61.3993 39.4168 176.8185 33 I 3.8989 7.8556 118.9670 64.7279 37.1186 177.5945 34 N 4.2294 8.0797 117.0202 56.9181 38.7334 176.5567 35 F 4.1375 8.6013 122.5051 61.1798 39.3953 176.7237 36 C 3.6377 8.4410 114.7844 61.1305 29.2859 175.8346 37 L 3.8445 7.6399 121.7176 57.5147 41.3457 179.5195 38 I 3.5749 7.3386 119.0242 64.1928 36.9835 178.2287 39 L 3.5928 7.5526 121.3078 58.2368 41.9273 179.1340 40 I 3.6796 7.9761 119.9620 65.0122 36.9599 177.3323 41 C 4.0750 7.9883 117.8350 62.5774 27.8561 175.6890 42 L 3.9760 8.1816 120.5956 58.1367 41.4140 179.8702 43 L 3.9210 7.8823 118.8702 57.8179 41.6258 179.2039 44 L 3.9798 7.9965 118.6802 58.0834 41.5381 179.8993 45 I 3.6729 7.6896 119.3832 64.4950 37.1717 178.1022 46 C 4.0635 7.9660 117.4494 62.9477 28.1011 176.0663 47 I 3.6918 7.6652 121.1799 64.6199 36.7239 178.4120 48 I 3.6662 7.6698 120.2761 64.5523 36.7585 178.5152 49 V 3.6143 7.7126 117.6275 66.4633 31.2298 177.6722 50 M 4.2268 7.6442 117.2050 58.1783 31.9227 178.3360 51 L 4.1268 7.5907 118.1261 57.4876 41.8454 177.7588 52 L 4.2755 7.7108 122.5562 55.1996 41.7858 176.8936 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 4.34 0.00 2.04 1.94 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 2.55 0.00 2 E 9.49 4.19 0.00 2.25 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 0.00 2.29 2.36 0.00 3 K 8.00 4.03 0.00 1.89 1.85 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.51 1.51 7.81 4 V 7.69 3.57 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 0.99 0.00 0.00 0.95 0.00 0.00 5 Q 8.21 4.18 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.71 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 6 Y 8.09 3.89 0.00 3.28 3.06 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 7 L 7.94 4.02 0.00 1.96 1.73 0.98 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.35 3.84 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 9 R 7.92 3.88 0.00 2.04 1.75 0.00 3.04 0.00 0.00 2.93 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 10 S 7.94 4.04 0.00 4.15 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 11 A 7.90 3.93 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 12 I 7.52 3.83 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.64 0.89 0.00 0.00 13 R 7.71 4.04 0.00 2.02 1.90 0.00 3.17 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 14 R 7.72 4.24 0.00 2.03 2.02 0.00 3.10 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 15 A 8.21 4.59 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 16 S 8.02 4.24 0.00 3.98 4.12 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 17 T 7.61 4.62 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 1.20 0.00 0.00 18 I 7.28 4.78 1.86 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 1.28 0.74 0.90 0.00 0.00 19 E 8.30 4.72 0.00 1.87 1.81 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 2.19 2.25 0.00 20 M 7.53 4.89 0.00 2.00 1.87 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 21 P 0.00 4.27 0.00 2.17 2.13 0.00 3.89 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 22 Q 7.64 3.75 0.00 2.37 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.54 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 23 Q 7.98 4.07 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 24 A 7.94 3.95 1.31 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 0.00 0.00 0.00 25 R 7.92 3.78 0.00 1.90 2.01 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 26 Q 7.97 3.94 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 27 K 8.31 3.98 0.00 1.91 1.88 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.50 7.81 28 L 8.47 4.01 0.00 1.90 1.71 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.93 4.03 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 30 N 8.02 4.39 0.00 2.74 2.89 0.00 0.00 7.42 8.08 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 31 L 8.40 4.06 0.00 1.83 1.77 0.96 0.99 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 32 F 8.92 4.09 0.00 3.15 3.28 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 33 I 7.86 3.90 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.81 0.96 0.00 0.00 34 N 8.08 4.23 0.00 2.83 3.01 0.00 0.00 6.97 7.26 0.00 0.00 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 F 8.60 4.14 0.00 3.08 3.08 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 36 C 8.44 3.64 0.00 2.83 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 37 L 7.64 3.84 0.00 1.66 1.71 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.34 3.57 1.79 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 1.35 1.01 0.72 0.00 0.00 39 L 7.55 3.59 0.00 0.92 1.43 0.71 0.83 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 40 I 7.98 3.68 1.92 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 1.47 0.73 0.87 0.00 0.00 41 C 7.99 4.07 0.00 3.04 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 42 L 8.18 3.98 0.00 1.68 1.70 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.88 3.92 0.00 1.81 1.67 0.86 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.00 3.98 0.00 1.80 1.72 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.69 3.67 2.01 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 1.50 0.69 0.90 0.00 0.00 46 C 7.97 4.06 0.00 3.17 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 47 I 7.67 3.69 2.01 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 1.51 1.34 0.90 0.00 0.00 48 I 7.67 3.67 2.02 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 1.40 0.78 0.90 0.00 0.00 49 V 7.71 3.61 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 0.78 0.00 0.00 0.95 0.00 0.00 50 M 7.64 4.23 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.80 0.00 51 L 7.59 4.13 0.00 1.82 1.73 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.71 4.28 0.00 1.80 1.60 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00