NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3628 8.2493 123.5823 51.2264 20.5073 176.1487 3 K 4.3796 7.3966 113.4001 54.7244 34.9102 171.5840 4 E 4.7304 8.2172 117.1955 55.1662 30.4615 177.2466 5 P 4.4530 0.0000 0.0000 63.2863 30.0899 175.4842 6 C 4.4093 8.1301 126.1487 60.4216 29.7921 172.7938 7 V 4.1066 7.8472 123.4798 62.0122 31.7408 177.5094 8 E 4.0642 8.0636 120.4121 59.3067 28.7936 178.9389 9 S 4.1444 7.7298 113.5260 61.2423 62.8799 176.3039 10 L 4.1898 7.7300 121.7100 56.8140 41.0827 179.2621 11 V 3.6848 7.7384 119.0240 65.8548 31.5244 178.0967 12 S 4.1483 8.1380 113.5415 60.5943 62.6595 176.2573 13 Q 3.9369 7.5516 123.5352 59.3607 28.7805 177.5122 14 Y 4.2389 7.6258 119.3185 58.7529 38.2890 177.4400 15 F 4.2597 7.3440 122.1190 61.2290 39.4567 177.0355 16 Q 3.9014 8.1391 117.6143 58.7352 28.4453 178.5894 17 T 4.0210 7.4272 116.9053 66.3143 68.3573 177.0536 18 V 3.7141 7.4854 120.2989 66.1722 31.5568 178.1411 19 T 3.6382 7.3360 114.7096 65.7031 68.0151 176.4740 20 D 4.2248 7.5823 119.9973 57.5108 41.6006 177.7095 21 Y 4.6639 7.5342 119.4441 59.0565 37.7575 178.2802 22 G 3.2781 6.7341 107.6471 47.5728 0.0000 175.6456 23 K 4.1752 7.7523 119.2214 58.0467 32.2707 177.4377 24 D 4.8907 7.7783 119.8141 54.2811 41.6742 176.6812 25 L 4.7103 7.7391 115.8260 55.0926 43.6665 177.5290 26 M 4.5910 8.1893 118.1249 57.0322 34.8230 178.0782 27 E 3.9062 8.2580 117.5770 59.5179 29.6682 178.8698 28 K 4.2296 7.9074 115.7472 57.2450 32.5680 177.8190 29 V 4.0261 7.4969 116.3545 65.4033 32.5333 176.9588 30 K 4.5115 8.4503 118.6166 57.0968 31.8057 179.3299 31 S 4.2446 7.7862 116.0454 60.7040 62.9768 174.0578 32 P 4.5196 0.0000 0.0000 63.4198 31.7674 177.4672 33 E 4.1850 7.9212 118.8515 58.0454 29.9496 178.0320 34 L 4.5193 7.7435 115.6073 54.6442 43.6109 176.2049 35 Q 4.0668 7.5802 119.3461 57.3616 28.2798 177.0763 36 A 3.9776 7.3329 120.4598 54.5634 18.9790 177.5319 37 E 4.5266 6.8521 119.6790 54.2618 28.6288 175.7571 38 A 3.2715 7.5568 122.2810 52.0221 24.5475 179.0391 39 K 4.3763 7.5212 114.9687 58.8885 32.2175 179.6140 40 S 4.5678 7.8626 115.5339 60.7245 62.9724 175.8804 41 Y 4.1205 7.5203 120.9221 61.0415 37.0838 178.2195 42 F 4.5802 7.6718 119.6667 59.5465 38.8344 177.5596 43 E 4.1189 8.1913 118.3945 59.2361 29.0148 178.8809 44 K 4.1877 8.5189 120.8223 58.9876 31.8056 179.2062 45 S 4.0329 7.7354 114.0675 61.4782 62.9680 176.6712 46 K 4.1746 7.9450 121.3322 58.6162 31.3865 178.5317 47 E 4.2911 8.0980 117.3161 57.7081 29.2318 177.7869 48 Q 4.5877 7.3101 116.0996 55.6092 30.8478 176.9927 49 L 4.1620 7.5542 120.6783 58.1628 42.4914 178.6065 50 T 4.0470 7.8771 115.6000 66.2038 68.5825 174.8834 51 P 4.2926 0.0000 0.0000 65.6242 31.1090 178.4947 52 L 4.1046 7.8305 116.9069 58.5112 40.5180 178.7826 53 I 4.0343 7.6280 119.8763 62.7165 37.1215 176.6864 54 K 4.5322 7.2790 116.9125 55.8499 32.8556 176.8757 55 K 3.9251 8.1525 122.7542 59.7132 32.1886 178.3662 56 A 4.2489 8.0963 118.2655 53.1928 18.2350 179.1168 57 G 3.5740 7.9712 106.6714 48.2048 0.0000 174.8267 58 T 4.2872 7.7967 110.8535 61.4379 67.5540 173.3918 59 E 4.2501 7.0297 119.6783 58.4262 31.7453 177.4566 60 L 4.2895 7.9501 117.7323 57.8449 42.1810 179.3209 61 V 3.6494 7.7652 117.4262 66.2505 31.3862 177.5926 62 N 4.3792 7.9509 115.6418 56.0439 38.4699 177.2892 63 F 3.6649 7.5656 119.1482 60.4059 38.7720 177.6180 64 L 4.3189 7.9483 117.5285 57.9365 41.1894 179.2892 65 S 4.3286 7.8889 112.9927 61.5857 62.4815 175.8156 66 Y 4.5687 7.9348 120.3765 60.0213 37.3727 176.5843 67 F 5.2282 7.6979 117.3990 58.0119 39.8743 176.5724 68 V 4.4597 7.7575 117.7081 62.7675 33.3804 175.7502 69 E 3.9995 7.4302 117.2450 58.3315 29.0948 176.9520 70 L 4.5283 8.1027 128.0383 53.6308 41.0245 176.5312 71 G 4.6846 7.6432 113.1841 45.3290 0.0000 169.2046 72 T 4.7618 7.6734 117.7690 65.5122 76.4053 175.8804 73 Q 4.1093 8.0583 118.6177 58.1082 29.2290 175.0452 74 P 4.5619 0.0000 0.0000 62.8876 32.8235 175.8472 75 A 4.3161 7.8715 124.3079 52.4609 21.0626 176.6223 76 T 4.4502 8.7420 108.2782 66.0782 70.9628 173.7539 77 Q 4.0639 7.7909 124.5471 56.4005 29.1374 173.7877 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 2 A 8.25 4.36 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 3 K 7.40 4.38 0.00 1.91 1.74 0.00 1.54 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.28 1.44 7.81 4 E 8.22 4.73 0.00 2.03 1.98 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 2.16 2.21 0.00 5 P 0.00 4.45 0.00 2.21 2.15 0.00 3.74 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 6 C 8.13 4.41 0.00 3.01 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 7 V 7.85 4.11 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 0.83 0.00 0.00 0.97 0.00 0.00 8 E 8.06 4.06 0.00 2.01 2.01 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 2.38 2.36 0.00 9 S 7.73 4.14 0.00 4.11 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 10 L 7.73 4.19 0.00 1.93 1.83 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.74 3.68 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.09 0.00 0.00 12 S 8.14 4.15 0.00 4.10 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 13 Q 7.55 3.94 0.00 2.38 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 14 Y 7.63 4.24 0.00 3.19 3.26 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 0.00 0.00 0.00 0.00 15 F 7.34 4.26 0.00 2.88 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 16 Q 8.14 3.90 0.00 2.34 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.70 0.00 17 T 7.43 4.02 4.57 0.00 0.00 0.00 0.00 0.00 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 18 V 7.49 3.71 1.98 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 0.92 0.00 0.00 1.24 0.00 0.00 19 T 7.34 3.64 4.08 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 1.02 0.00 0.00 20 D 7.58 4.22 0.00 2.78 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 21 Y 7.53 4.66 0.00 3.25 3.21 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 0.00 22 G 6.73 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 0.00 0.00 0.00 23 K 7.75 4.18 0.00 1.86 1.85 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.55 7.81 24 D 7.78 4.89 0.00 2.92 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 25 L 7.74 4.71 0.00 1.67 1.61 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 26 M 8.19 4.59 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.50 0.00 27 E 8.26 3.91 0.00 2.03 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 0.00 2.40 2.30 0.00 28 K 7.91 4.23 0.00 1.72 1.83 0.00 1.59 0.00 0.00 0.61 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.39 7.81 29 V 7.50 4.03 2.22 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 0.96 0.00 0.00 0.97 0.00 0.00 30 K 8.45 4.51 0.00 1.85 1.83 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.46 7.81 31 S 7.79 4.24 0.00 4.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.52 0.00 2.26 2.33 0.00 3.63 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.99 0.00 33 E 7.92 4.19 0.00 2.31 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 0.00 2.33 2.43 0.00 34 L 7.74 4.52 0.00 1.56 1.63 0.92 0.85 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 35 Q 7.58 4.07 0.00 1.97 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.02 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 36 A 7.33 3.98 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 37 E 6.85 4.53 0.00 2.26 2.06 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 2.38 2.27 0.00 38 A 7.56 3.27 1.02 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 39 K 7.52 4.38 0.00 1.96 1.98 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.46 7.81 40 S 7.86 4.57 0.00 4.12 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 7.52 4.12 0.00 2.27 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 42 F 7.67 4.58 0.00 3.27 3.07 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 0.00 0.00 0.00 0.00 43 E 8.19 4.12 0.00 2.23 2.01 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 2.47 2.68 0.00 44 K 8.52 4.19 0.00 1.88 1.82 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.31 7.81 45 S 7.74 4.03 0.00 4.25 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 4.17 0.00 2.08 1.93 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.51 1.72 7.81 47 E 8.10 4.29 0.00 2.24 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 0.00 2.35 2.61 0.00 48 Q 7.31 4.59 0.00 1.93 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.99 0.00 0.00 0.00 0.00 0.00 2.27 2.48 0.00 49 L 7.55 4.16 0.00 1.93 1.84 0.94 0.97 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 50 T 7.88 4.05 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 51 P 0.00 4.29 0.00 2.16 2.12 0.00 3.72 0.00 0.00 3.83 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 52 L 7.83 4.10 0.00 1.78 1.81 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.63 4.03 1.99 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 1.53 0.70 0.92 0.00 0.00 54 K 7.28 4.53 0.00 1.74 1.79 0.00 1.61 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.38 7.81 55 K 8.15 3.93 0.00 1.87 1.87 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.46 7.81 56 A 8.10 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 57 G 7.97 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 4.29 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 1.18 0.00 0.00 59 E 7.03 4.25 0.00 2.03 1.76 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 2.46 2.40 0.00 60 L 7.95 4.29 0.00 1.80 1.80 0.96 0.85 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 61 V 7.77 3.65 2.28 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 0.84 0.00 0.00 1.00 0.00 0.00 62 N 7.95 4.38 0.00 2.51 2.41 0.00 0.00 7.15 8.13 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 63 F 7.57 3.66 0.00 3.25 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.95 4.32 0.00 1.88 1.84 1.13 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.89 4.33 0.00 3.95 4.18 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.93 4.57 0.00 2.69 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 67 F 7.70 5.23 0.00 3.16 2.99 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 0.00 0.00 0.00 68 V 7.76 4.46 2.28 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 0.84 0.00 0.00 1.11 0.00 0.00 69 E 7.43 4.00 0.00 2.10 1.73 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 2.29 2.45 0.00 70 L 8.10 4.53 0.00 1.64 1.67 0.88 0.81 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 71 G 7.64 4.68 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 0.00 0.00 0.00 72 T 7.67 4.76 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 73 Q 8.06 4.11 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.00 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 74 P 0.00 4.56 0.00 2.05 2.02 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 75 A 7.87 4.32 1.14 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 76 T 8.74 4.45 4.24 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 77 Q 7.79 4.06 0.00 1.95 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.65 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00