NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.3894 8.1449 121.6870 57.7541 41.0509 176.0714 2 V 3.8862 7.8731 113.0498 60.8829 30.1334 173.7749 3 E 3.6939 7.9637 116.3253 57.0055 27.5753 174.0171 4 F 4.9369 8.2869 122.6784 56.2810 41.7519 174.7120 5 Q 4.6030 7.0455 123.6301 53.9356 30.6949 175.3183 6 E 4.4251 8.4865 118.6576 55.8706 32.4492 172.1442 7 A 3.7025 8.6021 131.3606 51.5143 18.7955 177.1850 8 G 3.8244 8.4798 108.9325 47.7967 0.0000 174.3880 9 S 4.5010 7.9338 114.0057 58.8396 63.5854 174.1899 10 C 5.0682 8.8891 118.4099 55.2442 43.4793 173.1738 11 V 4.2154 8.4498 123.4887 61.6932 32.2763 175.2603 12 Q 4.1944 8.5152 130.5421 54.8448 29.2018 174.9027 13 D 4.4699 9.2238 122.1944 54.4382 39.9109 174.0899 14 G 4.0680 8.3401 104.8915 45.6239 0.0000 172.9889 15 Q 4.3798 7.8625 118.4282 53.5532 31.3373 175.1641 16 R 4.4619 8.2811 123.7837 55.9600 30.7022 175.4317 17 Y 4.7934 8.3742 121.5817 55.7372 41.8027 175.4366 18 N 4.9654 8.8872 119.8025 53.0232 40.1051 175.1421 19 D 5.2144 8.6220 119.9527 56.1629 39.8094 178.7505 20 K 3.8259 8.6504 121.2038 58.1940 32.6130 176.8813 21 D 4.7229 7.5921 118.4859 54.5567 42.0531 175.6744 22 V 4.5216 8.3351 120.4403 60.7921 34.5849 174.5563 23 W 4.9244 8.0501 123.5946 54.4865 31.5782 174.2953 24 K 4.4524 8.7093 124.2653 54.2703 31.7764 173.7170 25 P 4.5527 0.0000 0.0000 64.6625 32.0307 176.9023 26 E 4.7538 7.9443 117.3930 53.5104 32.7369 174.5764 27 P 4.5754 0.0000 0.0000 64.0785 31.8192 177.2753 28 C 4.8558 8.0110 115.6682 56.8019 37.3920 173.1671 29 R 4.9192 7.7213 120.3642 54.2887 33.2454 173.9933 30 I 4.5909 8.1962 118.9543 59.4410 40.6488 173.8119 31 C 5.2283 8.0945 119.9726 55.2894 42.8022 173.4460 32 V 3.6483 7.5277 119.4709 59.8542 34.7343 173.5618 33 C 5.4811 7.7502 124.7556 54.8910 43.0717 172.1337 34 D 4.7229 7.6886 121.0739 55.1176 41.9111 176.0312 35 T 3.4439 9.3091 122.3650 64.7480 65.6958 173.1231 36 G 4.1161 8.5173 107.8683 45.5560 0.0000 173.9153 37 T 4.5664 7.6520 117.0030 61.6481 71.2156 174.3436 38 V 4.3259 8.5642 126.2346 62.3477 31.4740 173.6805 39 L 4.4468 9.2775 130.2926 53.5444 43.4819 173.8320 40 C 5.2184 8.6963 126.8032 54.9185 39.7220 172.1420 41 D 5.1732 8.4958 125.1051 51.8784 44.4292 174.6583 42 D 4.6150 8.7050 123.4097 53.7980 40.6739 176.4357 43 I 4.1759 8.1726 121.5345 60.2457 37.5948 175.1146 44 I 4.0900 8.0870 121.4236 59.5798 37.7115 176.8139 45 C 4.6339 8.3504 123.0366 55.0258 41.6259 173.2749 46 E 4.1974 8.4787 120.5343 57.0452 29.7089 177.3516 47 D 4.3503 7.6418 116.5479 54.0888 43.0008 175.0830 48 V 4.0735 7.3165 116.4045 61.2862 32.9574 173.4716 49 K 4.2998 7.6410 115.4260 57.0475 34.6555 177.0750 50 D 4.2347 8.0400 121.3497 56.7910 42.3390 180.5460 51 C 4.0147 7.9181 120.1658 57.6240 43.2362 170.4943 52 L 4.5515 7.8259 113.1723 55.4708 44.3741 176.5008 53 S 4.6746 7.4919 113.7545 55.5130 65.8983 171.8769 54 P 4.6826 0.0000 0.0000 62.9300 31.9526 175.4430 55 E 4.7057 8.4467 121.7458 54.9736 33.7842 174.1571 56 I 4.2780 8.3260 124.9512 58.9470 39.1441 173.2811 57 P 4.3922 0.0000 0.0000 62.8423 32.4440 176.4001 58 F 3.8977 9.5633 127.7592 58.3896 38.9127 176.5963 59 G 3.4475 8.1816 114.6485 44.1092 0.0000 171.5130 60 E 4.6677 8.2119 131.2571 55.5460 31.2317 178.0321 61 C 4.9616 8.7592 123.4088 57.8126 42.3490 175.1003 62 C 5.5365 8.1112 117.3252 53.5237 41.2935 172.8327 63 P 4.5158 0.0000 0.0000 61.6968 29.9085 174.7221 64 I 4.7749 6.9669 110.7352 60.4479 41.2552 174.3288 65 C 4.8286 8.5733 116.7628 53.4353 42.9870 172.0312 66 P 4.6894 0.0000 0.0000 62.4056 32.5522 176.5558 67 A 4.4955 8.0669 123.7147 50.5329 18.1932 174.3804 68 D 4.3791 8.0730 125.1770 54.9237 46.0876 176.3444 69 L 4.2497 8.1041 118.4211 55.3771 41.6639 175.6945 70 A 3.5633 8.5141 126.7351 52.3748 15.1067 175.5324 71 A 4.6827 7.7604 122.2398 49.6131 21.8934 176.8284 72 A 4.5185 8.1355 122.7765 50.1999 20.8424 177.5572 73 A 4.1702 8.4691 121.0542 52.7386 18.3662 177.8685 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 Y 8.14 4.39 0.00 2.94 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 2 V 7.87 3.89 2.18 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 0.92 0.00 0.00 1.04 0.00 0.00 3 E 7.96 3.69 0.00 2.12 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 2.26 2.30 0.00 4 F 8.29 4.94 0.00 2.90 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 5 Q 7.05 4.60 0.00 1.72 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.38 0.00 0.00 0.00 0.00 0.00 2.18 2.29 0.00 6 E 8.49 4.43 0.00 2.09 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 2.24 2.35 0.00 7 A 8.60 3.70 1.35 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 0.00 0.00 0.00 8 G 8.48 3.82 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 0.00 0.00 0.00 9 S 7.93 4.50 0.00 3.88 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 10 C 8.89 5.07 0.00 3.06 3.11 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 11 V 8.45 4.22 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 0.83 0.00 0.00 0.91 0.00 0.00 12 Q 8.52 4.19 0.00 1.46 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 5.78 0.00 0.00 0.00 0.00 0.00 2.23 1.87 0.00 13 D 9.22 4.47 0.00 2.83 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 14 G 8.34 4.07 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 0.00 0.00 0.00 15 Q 7.86 4.38 0.00 2.20 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.04 6.98 0.00 0.00 0.00 0.00 0.00 2.07 2.20 0.00 16 R 8.28 4.46 0.00 1.50 1.78 0.00 3.09 0.00 0.00 3.13 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 17 Y 8.37 4.79 0.00 2.63 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 18 N 8.89 4.97 0.00 2.74 3.03 0.00 0.00 7.33 8.53 0.00 0.00 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 5.21 0.00 2.99 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 20 K 8.65 3.83 0.00 1.71 1.92 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.42 7.81 21 D 7.59 4.72 0.00 3.19 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 22 V 8.34 4.52 2.04 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 0.81 0.00 0.00 0.87 0.00 0.00 23 W 8.05 4.92 0.00 3.04 2.74 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 0.00 0.00 0.00 24 K 8.71 4.45 0.00 1.71 1.77 0.00 1.80 0.00 0.00 1.87 0.00 0.00 2.85 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.31 7.81 25 P 0.00 4.55 0.00 2.30 2.36 0.00 3.87 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.15 0.00 26 E 7.94 4.75 0.00 2.05 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 2.21 2.22 0.00 27 P 0.00 4.58 0.00 2.16 2.15 0.00 3.70 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 1.96 1.97 0.00 28 C 8.01 4.86 0.00 2.94 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 29 R 7.72 4.92 0.00 1.79 1.67 0.00 3.06 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.68 0.00 30 I 8.20 4.59 1.71 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.63 0.83 0.00 0.00 31 C 8.09 5.23 0.00 2.40 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 0.00 0.00 0.00 32 V 7.53 3.65 1.75 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 0.61 0.00 0.00 0.87 0.00 0.00 33 C 7.75 5.48 0.00 3.78 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 7.69 4.72 0.00 2.65 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.31 3.44 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 1.19 0.00 0.00 36 G 8.52 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 0.00 0.00 0.00 37 T 7.65 4.57 4.41 0.00 0.00 0.00 0.00 0.00 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 38 V 8.56 4.33 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 0.94 0.00 0.00 1.36 0.00 0.00 39 L 9.28 4.45 0.00 1.72 1.43 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.70 5.22 0.00 2.96 2.90 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 41 D 8.50 5.17 0.00 2.75 2.37 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.71 4.61 0.00 2.67 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 43 I 8.17 4.18 2.10 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 1.23 0.72 0.93 0.00 0.00 44 I 8.09 4.09 1.85 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 1.38 0.54 0.92 0.00 0.00 45 C 8.35 4.63 0.00 2.97 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 46 E 8.48 4.20 0.00 1.94 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 2.31 2.31 0.00 47 D 7.64 4.35 0.00 2.92 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.32 4.07 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 0.68 0.00 0.00 0.93 0.00 0.00 49 K 7.64 4.30 0.00 1.73 1.70 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.33 1.32 7.81 50 D 8.04 4.23 0.00 2.62 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 51 C 7.92 4.01 0.00 3.17 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 52 L 7.83 4.55 0.00 1.57 1.48 0.92 0.75 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 53 S 7.49 4.67 0.00 3.80 3.64 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 54 P 0.00 4.68 0.00 2.27 2.03 0.00 3.81 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 1.99 0.00 55 E 8.45 4.71 0.00 1.82 1.84 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 2.22 2.31 0.00 56 I 8.33 4.28 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 1.36 0.99 0.89 0.00 0.00 57 P 0.00 4.39 0.00 2.29 2.11 0.00 3.98 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 58 F 9.56 3.90 0.00 3.00 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 59 G 8.18 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 60 E 8.21 4.67 0.00 1.88 1.71 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 2.28 2.24 0.00 61 C 8.76 4.96 0.00 2.86 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 62 C 8.11 5.54 0.00 2.88 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 63 P 0.00 4.52 0.00 2.16 2.08 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 64 I 6.97 4.77 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 1.39 0.66 0.90 0.00 0.00 65 C 8.57 4.83 0.00 3.02 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 66 P 0.00 4.69 0.00 2.10 2.11 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 1.99 1.98 0.00 67 A 8.07 4.50 1.25 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 0.00 0.00 0.00 68 D 8.07 4.38 0.00 2.59 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.10 4.25 0.00 1.77 1.67 0.93 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.51 3.56 1.35 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 0.00 0.00 0.00 71 A 7.76 4.68 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 72 A 8.14 4.52 1.24 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 0.00 0.00 0.00 73 A 8.47 4.17 1.24 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 0.00 0.00 0.00