NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4015 8.3049 120.3463 55.1517 32.6516 175.0381 2 D 4.4215 8.3258 126.9084 53.1021 41.9310 176.2596 3 S 4.1282 9.4586 118.2106 61.4735 63.3666 175.7258 4 N 4.6681 8.2288 120.1856 56.1267 38.1965 177.2030 5 T 3.9429 7.6942 116.5830 66.4389 68.4043 176.9750 6 V 3.7059 8.0285 120.7064 65.8577 31.7300 178.2054 7 S 4.1386 8.0525 113.5010 61.8690 62.9235 176.3491 8 S 4.2047 8.5238 119.8878 60.9475 62.5005 176.7080 9 F 4.4121 8.3341 123.1878 61.6226 39.2452 176.9983 10 Q 3.9253 8.4597 118.0424 59.0771 28.4920 179.4957 11 V 3.6384 8.0144 118.8978 66.3273 31.6962 177.6899 12 D 4.5811 8.2953 118.5680 57.7137 40.6196 178.7682 13 C 3.9706 8.3097 117.4630 62.8140 28.1722 175.7163 14 F 4.2492 8.4441 122.0371 61.4083 38.9284 177.1090 15 L 3.9494 8.6026 118.8452 57.7233 41.4465 179.1165 16 W 4.1995 8.7229 128.5769 60.9879 30.4834 177.1510 17 H 4.3067 8.4678 118.0088 59.3219 29.1321 177.0495 18 V 3.3028 7.3116 119.2885 66.1314 31.4956 178.0012 19 R 4.2336 8.2540 117.7765 59.4388 29.9860 178.7415 20 K 3.3582 7.7442 119.4797 59.7349 31.7526 178.6959 21 Q 3.9031 7.8637 118.2081 58.7337 28.2100 178.7030 22 V 3.5975 7.8822 119.5048 65.9618 31.4749 178.3468 23 V 3.4964 7.7368 117.6083 66.0075 31.2794 177.5256 24 D 4.3711 8.0675 117.3491 56.5710 40.6836 177.6495 25 Q 4.2045 7.5045 116.7564 54.9618 29.7684 175.1075 26 E 3.7855 8.2882 118.6563 57.9352 26.9855 174.6253 27 L 4.8218 7.6871 111.9782 54.2920 43.7909 177.3093 28 G 4.0192 8.1846 108.2834 45.0478 0.0000 173.9184 29 D 4.4757 8.7351 124.6861 53.4115 40.6909 176.9114 30 A 4.8310 7.4701 132.3743 50.8198 20.2436 176.7365 31 P 4.3165 0.0000 0.0000 65.8273 31.5355 178.4159 32 F 4.3375 8.2113 120.4080 60.8877 39.2310 176.9220 33 L 3.3705 7.6707 119.4165 58.0055 42.0036 178.0137 34 D 4.2953 7.9490 117.9810 57.6576 41.0489 178.6063 35 R 3.9606 8.2675 118.6122 59.0817 29.9667 178.7448 36 L 3.9295 7.8459 120.2437 58.1186 42.0002 179.2279 37 R 3.9812 8.1977 118.1098 59.5850 30.2363 179.2795 38 R 4.0257 8.2086 117.6615 59.4597 30.0201 178.9792 39 D 4.5046 8.6278 119.3157 57.1062 40.7595 178.5269 40 Q 3.7139 8.5584 120.4160 59.1113 29.2283 178.3209 41 K 3.9212 8.1189 119.4981 59.6989 32.1053 179.3112 42 S 4.1510 8.0781 113.0117 61.3040 62.3200 176.1601 43 L 4.1976 8.3096 122.2272 57.8382 41.1948 179.7267 44 R 4.0897 8.3675 118.7335 58.9638 29.9615 179.3247 45 G 3.5590 7.9578 105.4830 47.9789 0.0000 176.0997 46 R 3.9282 8.2798 121.0363 58.6000 29.9834 179.3668 47 G 3.7304 8.7204 106.1409 47.6825 0.0000 175.8300 48 S 4.0905 8.1016 114.7018 61.5445 62.6213 175.8904 49 T 3.9370 7.9757 117.2655 66.9998 68.3326 176.4118 50 L 4.1085 8.3362 120.3284 55.4403 41.6665 177.9154 51 G 3.9059 7.7996 105.7616 46.3757 0.0000 173.0714 52 L 4.6437 7.8141 118.2689 52.5622 43.6071 176.6540 53 N 4.4808 8.4855 120.7580 53.4597 40.4027 176.1684 54 I 3.5636 8.2635 128.6407 64.4111 37.3244 178.3337 55 E 3.9399 8.0725 118.7561 59.4096 29.3851 179.1592 56 A 3.9149 7.9007 120.0761 54.9266 18.4922 179.3883 57 A 3.9368 8.2382 119.7119 55.6682 18.4548 179.9794 58 T 4.0298 8.4393 114.6628 67.1265 68.4201 176.4482 59 H 4.1720 8.2838 118.1388 59.0075 28.7800 177.7312 60 V 3.6875 8.0873 119.9763 66.1343 31.1799 178.3679 61 G 3.4459 8.2388 105.2232 47.6321 0.0000 175.2054 62 K 2.7253 7.6380 122.5874 59.2641 31.9722 178.7095 63 Q 3.9447 7.7498 117.5165 58.8848 28.5899 178.6461 64 I 3.6120 7.6705 121.0527 64.1529 37.0361 178.7391 65 V 3.4971 7.8247 119.5596 66.0230 31.3707 178.0535 66 E 4.1078 8.0998 118.2083 59.2217 28.9628 179.5874 67 K 3.9801 8.0472 118.3727 59.4255 32.4585 179.1499 68 I 3.9330 7.5411 119.6395 64.0104 37.0317 178.4026 69 L 4.2852 8.3463 120.5312 57.3884 41.2430 179.2510 70 K 4.0123 8.0825 119.0602 59.2468 32.1682 178.2806 71 E 4.4470 7.6287 116.6041 57.3429 29.8543 176.5434 72 E 4.5992 7.9283 111.6330 55.1524 30.8764 175.9486 73 S 4.3610 8.9044 119.1175 59.1082 62.6458 174.8044 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 4.40 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 2 D 8.33 4.42 0.00 2.83 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 3 S 9.46 4.13 0.00 3.89 3.86 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 0.00 0.00 0.00 4 N 8.23 4.67 0.00 2.86 2.89 0.00 0.00 7.64 7.06 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 5 T 7.69 3.94 4.44 0.00 0.00 0.00 0.00 0.00 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 6 V 8.03 3.71 2.26 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 1.17 0.00 0.00 1.00 0.00 0.00 7 S 8.05 4.14 0.00 4.11 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 0.00 8 S 8.52 4.20 0.00 4.06 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 9 F 8.33 4.41 0.00 3.26 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 10 Q 8.46 3.93 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.64 0.00 0.00 0.00 0.00 0.00 2.55 2.39 0.00 11 V 8.01 3.64 2.31 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 1.04 0.00 0.00 1.00 0.00 0.00 12 D 8.30 4.58 0.00 2.98 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 13 C 8.31 3.97 0.00 3.02 2.87 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 14 F 8.44 4.25 0.00 3.13 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 15 L 8.60 3.95 0.00 1.99 1.79 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 16 W 8.72 4.20 0.00 3.45 3.33 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 17 H 8.47 4.31 0.00 3.36 3.31 0.00 5.68 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.31 3.30 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 0.71 0.00 0.00 0.30 0.00 0.00 19 R 8.25 4.23 0.00 1.88 2.10 0.00 3.30 0.00 0.00 3.41 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.89 0.00 20 K 7.74 3.36 0.00 0.79 1.58 0.00 1.02 0.00 0.00 1.39 0.00 0.00 3.12 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.57 7.81 21 Q 7.86 3.90 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 5.79 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 22 V 7.88 3.60 2.45 0.00 0.00 0.00 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 0.92 0.00 0.00 23 V 7.74 3.50 1.99 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 0.90 0.00 0.00 0.46 0.00 0.00 24 D 8.07 4.37 0.00 2.86 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.50 4.20 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 26 E 8.29 3.79 0.00 2.10 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 2.23 2.25 0.00 27 L 7.69 4.82 0.00 1.71 1.60 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.18 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.74 4.48 0.00 2.81 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 30 A 7.47 4.83 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.32 0.00 2.33 2.34 0.00 4.01 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 32 F 8.21 4.34 0.00 3.03 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 L 7.67 3.37 0.00 1.59 1.53 0.65 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 34 D 7.95 4.30 0.00 2.95 2.83 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 35 R 8.27 3.96 0.00 2.17 2.04 0.00 3.25 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 36 L 7.85 3.93 0.00 1.32 1.50 -0.09 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.20 3.98 0.00 2.08 1.98 0.00 3.15 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 38 R 8.21 4.03 0.00 1.90 2.03 0.00 3.14 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.99 0.00 39 D 8.63 4.50 0.00 3.16 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 40 Q 8.56 3.71 0.00 2.70 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 5.11 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 41 K 8.12 3.92 0.00 1.88 1.86 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.48 7.81 42 S 8.08 4.15 0.00 4.06 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 0.00 43 L 8.31 4.20 0.00 1.78 1.42 0.99 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.37 4.09 0.00 1.97 1.95 0.00 3.04 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 45 G 7.96 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 0.00 0.00 0.00 46 R 8.28 3.93 0.00 1.90 0.66 0.00 3.18 0.00 0.00 2.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.72 0.00 47 G 8.72 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 48 S 8.10 4.09 0.00 4.07 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 49 T 7.98 3.94 4.15 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 1.14 0.00 0.00 50 L 8.34 4.11 0.00 1.58 1.68 -0.05 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.80 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.81 4.64 0.00 1.84 1.71 1.03 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.49 4.48 0.00 2.77 2.66 0.00 0.00 7.23 7.64 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 54 I 8.26 3.56 1.72 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 1.36 -0.07 0.67 0.00 0.00 55 E 8.07 3.94 0.00 1.95 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 2.38 2.34 0.00 56 A 7.90 3.91 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.24 3.94 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 58 T 8.44 4.03 4.52 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 1.43 0.00 0.00 59 H 8.28 4.17 0.00 3.41 3.37 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.09 3.69 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 1.00 0.00 0.00 0.99 0.00 0.00 61 G 8.24 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.64 2.73 0.00 2.00 2.01 0.00 1.51 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.48 7.81 63 Q 7.75 3.94 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 64 I 7.67 3.61 1.90 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 1.49 1.32 0.86 0.00 0.00 65 V 7.82 3.50 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 0.98 0.00 0.00 0.75 0.00 0.00 66 E 8.10 4.11 0.00 2.12 1.95 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 2.31 2.32 0.00 67 K 8.05 3.98 0.00 1.89 1.84 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.62 7.81 68 I 7.54 3.93 2.03 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 1.52 1.13 0.91 0.00 0.00 69 L 8.35 4.29 0.00 1.70 1.70 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.08 4.01 0.00 1.92 1.92 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.52 7.81 71 E 7.63 4.45 0.00 2.03 1.99 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 2.37 2.42 0.00 72 E 7.93 4.60 0.00 2.03 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 2.12 2.29 0.00 73 S 8.90 4.36 0.00 3.99 3.94 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