NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 P 4.4022 0.0000 0.0000 62.6323 32.6609 175.5905 11 T 4.1104 8.1540 108.9342 59.1172 69.7115 172.1702 12 K 4.6414 8.2682 121.5310 54.2555 36.5124 176.3249 13 L 4.2080 8.4045 120.9363 55.1941 42.1942 175.6582 14 E 4.6989 8.8738 124.4900 54.7053 32.8536 174.8867 15 T 4.7822 7.8297 116.5917 61.9281 70.4929 173.9272 16 F 5.0887 9.1093 124.5260 54.7574 42.8294 173.4763 17 P 4.4711 0.0000 0.0000 62.4751 32.2452 177.4447 18 L 3.9578 8.5530 122.2495 58.2626 41.6240 179.5236 19 D 4.4864 8.0014 114.7226 54.8524 39.4453 176.9025 20 V 3.8940 7.7100 119.2840 63.8958 31.9410 176.2244 21 L 4.5370 7.5280 117.2719 55.3848 43.9766 177.2103 22 V 3.8309 7.9310 118.6974 63.9682 31.9658 175.0771 23 N 4.1684 8.5508 125.6586 55.1393 37.9060 173.7628 24 T 4.5409 7.6335 111.2431 61.0819 71.2310 174.8502 25 A 4.1245 8.3220 128.0551 51.7399 19.0064 178.0817 26 A 3.9401 8.7672 123.9572 55.3584 18.4439 179.7216 27 E 4.1689 8.0806 110.8829 57.9423 30.0264 176.8721 28 D 4.7076 7.8356 118.5001 54.0484 41.7447 176.6252 29 L 4.0824 7.1581 118.4315 53.4063 42.2399 175.1703 30 P 4.2041 0.0000 0.0000 62.0062 31.7847 176.6991 31 R 3.8691 8.1421 120.5987 57.7940 30.4531 176.2279 32 G 3.8510 8.7304 110.4951 46.7599 0.0000 173.2850 33 V 3.6866 7.5011 118.0532 60.1068 33.9760 174.2301 34 D 4.5779 9.0354 127.5642 52.8257 40.7634 175.0745 35 P 4.2578 0.0000 0.0000 65.1489 31.3413 177.2233 36 S 4.3211 8.3354 112.2440 58.8932 63.9382 174.1259 37 R 5.0065 7.9365 120.3163 54.1362 31.0495 176.9867 38 K 4.2018 8.3545 119.5859 59.6020 32.8393 179.7584 39 E 4.2879 8.3980 116.2624 59.0838 29.6455 178.5964 40 N 4.3747 8.2284 116.4614 55.6269 38.8043 175.1937 41 Y 4.5282 8.1792 115.3746 57.5953 38.1608 175.0095 42 L 4.9125 7.4666 120.1837 53.1958 43.5857 177.2918 43 S 4.4368 8.2673 116.0771 58.1618 65.2718 175.0577 44 D 4.3574 8.5678 122.2588 57.5102 40.5274 179.0048 45 E 4.0017 8.1137 118.6343 59.6975 29.5722 179.0358 46 D 4.3986 8.4422 119.0678 56.9665 40.7863 178.6867 47 F 3.9099 8.4996 121.5967 61.2133 39.4955 177.1822 48 K 4.6764 8.7453 120.4424 58.8826 31.7269 178.7232 49 A 3.9699 7.8590 120.6955 55.1604 18.4580 179.7047 50 V 3.5173 7.5680 116.3405 63.8910 31.7228 177.6200 51 F 4.8566 7.7986 115.9186 56.3688 39.6073 176.8187 52 G 3.9799 9.3479 106.5872 45.5790 0.0000 172.6913 53 M 4.6635 7.4504 115.4824 53.0993 33.6892 174.0339 54 T 4.7238 8.2282 110.5964 61.1234 71.3638 175.7055 55 R 3.4978 8.0545 120.0304 59.1657 29.6829 179.4614 56 S 4.0983 7.9230 112.6703 61.2523 63.3067 176.0874 57 A 4.1239 7.9109 124.2980 54.9581 18.2238 179.2319 58 F 4.0114 8.7192 119.3435 61.5506 39.2069 177.1397 59 A 4.1178 8.2525 119.1496 54.4295 18.2277 178.3152 60 N 4.5557 7.8490 113.0195 52.8489 39.4042 175.6358 61 L 4.0233 6.7651 120.8040 53.3375 42.6201 175.8126 62 P 4.2150 0.0000 0.0000 62.2560 33.0888 177.3815 63 L 3.8304 8.4719 122.7631 58.2302 41.9419 179.5387 64 W 4.2408 8.1329 115.9795 59.4671 27.8890 178.0496 65 K 3.4228 6.6453 119.9205 58.8537 31.5215 178.7052 66 Q 3.3615 7.4944 118.3759 58.8486 28.5002 178.8236 67 Q 4.2077 8.3530 119.3397 59.0609 28.7148 178.5137 68 N 4.2987 8.3448 117.5882 56.2276 38.5957 177.1857 69 L 4.0765 8.1168 121.7072 58.1699 42.2250 179.1554 70 K 4.3667 8.5003 118.5239 59.5813 32.1157 179.4984 71 K 4.0880 8.4219 118.8860 59.6523 31.7635 179.3035 72 E 4.0746 8.5182 118.0078 58.7521 29.4180 178.5675 73 K 4.4335 8.0166 115.9317 55.3344 32.5474 176.8062 74 G 3.9508 8.0697 107.7471 46.8625 0.0000 174.9960 75 L 4.8009 8.4991 116.8207 54.0135 42.4890 176.6955 76 F 4.4094 8.3819 126.7521 58.4772 39.3828 175.2032 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 10 P 0.00 4.40 0.00 2.21 2.15 0.00 3.73 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 1.90 1.97 0.00 11 T 8.15 4.11 4.30 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 1.24 0.00 0.00 12 K 8.27 4.64 0.00 1.85 1.85 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.45 7.81 13 L 8.40 4.21 0.00 1.63 1.61 0.83 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.87 4.70 0.00 1.71 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 2.44 2.27 0.00 15 T 7.83 4.78 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 1.21 0.00 0.00 16 F 9.11 5.09 0.00 2.90 2.93 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 17 P 0.00 4.47 0.00 2.29 2.00 0.00 3.81 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 18 L 8.55 3.96 0.00 1.69 1.70 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.00 4.49 0.00 2.75 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 20 V 7.71 3.89 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 0.48 0.00 0.00 0.97 0.00 0.00 21 L 7.53 4.54 0.00 1.66 1.68 1.17 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.93 3.83 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 0.74 0.00 0.00 0.96 0.00 0.00 23 N 8.55 4.17 0.00 2.81 2.80 0.00 0.00 7.08 7.67 0.00 0.00 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 T 7.63 4.54 4.31 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 1.14 0.00 0.00 25 A 8.32 4.12 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 26 A 8.77 3.94 1.29 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 0.00 0.00 27 E 8.08 4.17 0.00 2.06 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 2.25 2.30 0.00 28 D 7.84 4.71 0.00 2.73 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.16 4.08 0.00 1.54 1.38 0.83 0.86 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 30 P 0.00 4.20 0.00 1.33 1.40 0.00 3.18 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.31 0.00 31 R 8.14 3.87 0.00 1.74 1.83 0.00 3.32 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 32 G 8.73 3.85 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 0.00 0.00 0.00 33 V 7.50 3.69 1.86 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 0.30 0.00 0.00 0.42 0.00 0.00 34 D 9.04 4.58 0.00 2.86 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.26 0.00 2.17 2.12 0.00 3.80 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 1.96 1.93 0.00 36 S 8.34 4.32 0.00 3.86 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 37 R 7.94 5.01 0.00 1.93 1.93 0.00 3.36 0.00 0.00 3.30 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 38 K 8.35 4.20 0.00 2.08 1.98 0.00 1.79 0.00 0.00 1.89 0.00 0.00 2.94 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.54 1.63 7.81 39 E 8.40 4.29 0.00 2.42 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.34 0.00 40 N 8.23 4.37 0.00 2.35 2.43 0.00 0.00 6.94 7.03 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 41 Y 8.18 4.53 0.00 3.43 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 7.47 4.91 0.00 1.89 1.70 0.90 1.42 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 43 S 8.27 4.44 0.00 4.19 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.57 4.36 0.00 2.70 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 45 E 8.11 4.00 0.00 2.07 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 2.41 2.47 0.00 46 D 8.44 4.40 0.00 2.71 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 47 F 8.50 3.91 0.00 3.30 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.75 4.68 0.00 2.07 1.86 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.41 7.81 49 A 7.86 3.97 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 50 V 7.57 3.52 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.36 0.00 0.00 0.52 0.00 0.00 51 F 7.80 4.86 0.00 2.79 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 G 9.35 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 53 M 7.45 4.66 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.78 0.00 54 T 8.23 4.72 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 1.25 0.00 0.00 55 R 8.05 3.50 0.00 1.55 1.69 0.00 2.76 0.00 0.00 3.03 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.59 0.00 56 S 7.92 4.10 0.00 4.01 3.97 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 57 A 7.91 4.12 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.72 4.01 0.00 3.43 3.35 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 59 A 8.25 4.12 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.85 4.56 0.00 2.83 2.82 0.00 0.00 7.02 7.37 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 61 L 6.77 4.02 0.00 1.22 1.15 0.48 0.88 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 62 P 0.00 4.21 0.00 1.10 1.85 0.00 3.12 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.01 0.00 63 L 8.47 3.83 0.00 1.73 1.71 0.96 1.02 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 64 W 8.13 4.24 0.00 3.59 3.30 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 65 K 6.65 3.42 0.00 0.79 1.25 0.00 1.34 0.00 0.00 1.19 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.03 1.19 7.81 66 Q 7.49 3.36 0.00 2.09 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 1.16 2.01 0.00 67 Q 8.35 4.21 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.65 2.75 0.00 68 N 8.34 4.30 0.00 2.95 3.11 0.00 0.00 6.68 6.25 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 69 L 8.12 4.08 0.00 2.02 1.96 1.07 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.50 4.37 0.00 2.37 2.21 0.00 2.03 0.00 0.00 1.93 0.00 0.00 3.14 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.70 1.85 7.81 71 K 8.42 4.09 0.00 1.88 1.79 0.00 1.38 0.00 0.00 1.34 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.02 1.09 7.81 72 E 8.52 4.07 0.00 2.11 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 2.53 0.00 73 K 8.02 4.43 0.00 1.73 1.66 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.75 1.43 7.81 74 G 8.07 3.95 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 0.00 0.00 0.00 75 L 8.50 4.80 0.00 1.76 1.81 0.71 0.79 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 76 F 8.38 4.41 0.00 3.10 3.02 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