NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.9339 7.8300 114.2206 61.1836 39.9524 173.9972 2 V 4.4467 8.1566 122.8268 61.2426 34.3198 173.8395 3 C 5.0500 9.2142 124.3929 55.4264 47.2293 173.0217 4 H 4.8312 9.1084 125.1079 55.7960 26.1296 172.7796 5 T 4.8796 8.7080 115.6715 60.2022 69.0736 173.9391 6 T 4.4386 8.4956 119.8872 61.2360 67.2773 173.2083 7 A 4.5698 8.3043 129.6314 54.3006 22.3039 176.4733 8 T 4.6041 7.4102 111.0233 61.7413 67.6630 176.2784 9 S 4.1531 8.7804 114.2730 60.1801 63.1359 172.6733 10 P 4.8239 0.0000 0.0000 60.7485 33.6688 173.8564 11 I 3.8285 8.2115 119.6407 62.0231 37.6995 176.2218 12 S 4.6350 8.7501 123.5060 56.7773 64.3801 173.2163 13 A 4.9788 8.5470 127.6448 51.2856 19.5585 176.6623 14 V 4.5488 8.8168 116.2602 59.6314 35.7889 174.9275 15 T 5.2927 8.4230 115.0194 60.3825 69.9488 175.1635 16 C 4.5550 8.7483 125.1065 55.1961 39.9550 172.1336 17 P 4.2917 0.0000 0.0000 65.0150 31.3551 175.9919 18 P 4.5361 0.0000 0.0000 62.4401 31.2394 175.7547 19 G 3.6089 8.6534 106.7869 48.8555 0.0000 173.7493 20 E 4.2210 8.0236 118.4253 55.9853 29.3034 175.8356 21 N 4.9769 8.4713 118.4139 52.2734 41.3914 174.2768 22 L 4.1461 8.6029 123.3185 55.3476 43.4477 175.0596 23 C 5.7484 9.9011 124.9439 55.2177 36.4682 172.2036 24 Y 5.1736 8.4438 122.5864 55.6891 40.5468 175.0021 25 R 4.8514 8.6900 120.0424 54.1436 31.3231 174.2717 26 K 5.1381 8.8288 122.2582 56.1335 35.6907 175.8941 27 M 5.4984 9.2295 119.8972 54.3625 36.8077 173.8234 28 W 5.2833 7.9068 119.6444 56.1907 32.2731 173.5323 29 C 5.1079 9.7253 120.1066 54.7255 40.6226 174.9751 30 D 4.9876 8.4839 125.8870 53.2444 39.2742 176.8283 31 A 4.0100 8.3887 121.6798 52.0021 17.4737 180.6271 32 F 4.7654 8.3058 117.9461 61.4729 39.6817 176.2756 33 C 4.3874 8.3837 113.3140 57.7217 41.1496 173.4010 34 S 4.3334 6.8787 115.7030 58.8151 62.5687 174.0752 35 S 4.5900 9.6653 114.9859 59.7737 66.9452 175.5582 36 R 3.9022 8.2474 119.8018 56.8047 29.2241 177.9526 37 G 4.0392 5.9435 111.2101 45.3315 0.0000 172.6364 38 K 4.7390 7.8532 121.4897 55.9092 33.6928 176.0882 39 V 3.7876 8.5101 122.9627 61.3664 32.9193 174.8759 40 V 4.5833 7.7154 126.3185 61.1262 34.0056 173.9139 41 E 4.5913 8.7382 128.4327 54.3503 33.0501 173.9271 42 L 4.8743 8.3975 126.9316 52.1656 45.0608 176.1152 43 G 4.1746 6.5819 108.9731 44.9645 0.0000 171.1392 44 C 5.2001 9.0314 119.5258 55.1518 43.0853 173.0649 45 A 4.9028 9.5845 129.5133 50.2722 21.7193 175.6757 46 A 4.6439 8.7285 118.1298 53.0342 20.8967 177.2029 47 T 4.4170 7.4128 104.5318 59.3428 68.7867 171.8704 48 C 4.2206 8.4483 127.5028 56.4510 43.8403 171.5274 49 P 4.5202 0.0000 0.0000 62.9400 31.7843 177.4763 50 S 4.4962 8.2960 118.8913 57.4353 61.7858 174.7826 51 K 4.3232 7.7030 127.6450 55.3576 31.5617 177.3460 52 K 4.9578 7.8378 118.0565 55.9991 32.7611 175.4913 53 P 4.4912 0.0000 0.0000 62.7962 31.7093 174.9142 54 Y 4.6004 7.1164 127.0396 57.8055 42.3345 172.8912 55 E 4.8609 7.6976 119.8715 54.9165 31.8215 175.3529 56 E 4.4268 9.3193 126.3084 56.2242 30.1396 175.3142 57 V 4.7063 8.3600 126.9452 60.3327 33.2506 175.3558 58 T 4.7837 8.5309 121.7089 61.9375 71.9281 173.0827 59 C 5.3829 8.6071 119.8691 55.5744 42.1656 172.6882 60 C 5.0408 9.5100 119.0354 53.1566 44.5975 174.8952 61 S 4.8608 8.4292 119.3768 56.7269 62.1988 173.3886 62 T 4.6673 7.1557 111.5034 60.0541 72.5165 173.6369 63 D 5.0141 8.7966 121.2339 55.8687 41.2226 177.4692 64 K 3.5902 8.3656 123.4344 57.4113 29.7480 174.3574 65 C 4.5208 8.1651 111.9262 55.9392 41.4951 173.6589 66 N 4.7461 7.7430 120.5022 50.9967 36.1544 172.3320 67 P 4.8168 0.0000 0.0000 62.4800 33.2983 175.5765 68 H 4.9299 7.8963 115.8393 52.9882 30.6068 174.0759 69 P 4.0091 0.0000 0.0000 66.0136 31.1903 177.7565 70 K 4.0131 8.0992 118.6096 58.4359 32.1004 176.6588 71 Q 4.5312 7.0141 116.9879 53.9715 31.9392 174.5832 72 R 4.6457 8.0509 116.5231 54.1417 31.8560 172.8225 73 P 4.3393 0.0000 0.0000 63.4049 29.5648 176.5593 74 G 3.7101 8.2159 113.9132 46.2199 0.0000 171.3506 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 I 7.83 4.93 1.95 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 1.22 1.45 0.91 0.00 0.00 2 V 8.16 4.45 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 0.85 0.00 0.00 0.94 0.00 0.00 3 C 9.21 5.05 0.00 3.08 2.88 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 4 H 9.11 4.83 0.00 3.30 3.23 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.71 4.88 4.19 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 1.29 0.00 0.00 6 T 8.50 4.44 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 1.06 0.00 0.00 7 A 8.30 4.57 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 8 T 7.41 4.60 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 9 S 8.78 4.15 0.00 3.88 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 10 P 0.00 4.82 0.00 2.14 2.06 0.00 3.76 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 1.89 1.95 0.00 11 I 8.21 3.83 1.81 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 1.37 0.79 0.83 0.00 0.00 12 S 8.75 4.64 0.00 3.92 4.01 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 13 A 8.55 4.98 1.26 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 0.00 0.00 14 V 8.82 4.55 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 0.99 0.00 0.00 0.99 0.00 0.00 15 T 8.42 5.29 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 1.23 0.00 0.00 16 C 8.75 4.56 0.00 2.89 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 17 P 0.00 4.29 0.00 2.04 2.11 0.00 3.71 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 2.03 2.10 0.00 18 P 0.00 4.54 0.00 2.04 2.07 0.00 3.62 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 2.04 2.11 0.00 19 G 8.65 3.61 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 0.00 0.00 0.00 20 E 8.02 4.22 0.00 2.22 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 2.29 2.35 0.00 21 N 8.47 4.98 0.00 2.68 2.80 0.00 0.00 7.06 7.93 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 22 L 8.60 4.15 0.00 1.74 1.67 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 23 C 9.90 5.75 0.00 3.11 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 24 Y 8.44 5.17 0.00 3.16 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 25 R 8.69 4.85 0.00 1.76 1.85 0.00 3.19 0.00 0.00 3.28 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 26 K 8.83 5.14 0.00 2.15 2.16 0.00 1.83 0.00 0.00 2.20 0.00 0.00 3.34 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.73 2.11 7.81 27 M 9.23 5.50 0.00 1.92 1.95 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 2.50 2.31 0.00 28 W 7.91 5.28 0.00 3.46 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 29 C 9.73 5.11 0.00 3.28 3.27 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 30 D 8.48 4.99 0.00 2.52 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.39 4.01 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.31 4.77 0.00 3.14 3.09 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 0.00 0.00 0.00 33 C 8.38 4.39 0.00 3.21 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 34 S 6.88 4.33 0.00 4.04 3.79 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 35 S 9.67 4.59 0.00 3.98 3.90 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 36 R 8.25 3.90 0.00 1.87 1.82 0.00 3.21 0.00 0.00 3.25 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 37 G 5.94 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 0.00 0.00 0.00 38 K 7.85 4.74 0.00 1.53 1.57 0.00 2.02 0.00 0.00 1.73 0.00 0.00 2.73 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.61 7.81 39 V 8.51 3.79 0.67 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 -0.78 0.00 0.00 0.42 0.00 0.00 40 V 7.72 4.58 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 0.60 0.00 0.00 0.75 0.00 0.00 41 E 8.74 4.59 0.00 2.08 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 2.57 2.65 0.00 42 L 8.40 4.87 0.00 1.60 1.31 0.99 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 43 G 6.58 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 0.00 0.00 0.00 44 C 9.03 5.20 0.00 2.96 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 45 A 9.58 4.90 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 46 A 8.73 4.64 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 47 T 7.41 4.42 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 1.21 0.00 0.00 48 C 8.45 4.22 0.00 3.01 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 49 P 0.00 4.52 0.00 2.17 1.98 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.87 0.00 50 S 8.30 4.50 0.00 3.89 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 51 K 7.70 4.32 0.00 1.87 1.84 0.00 1.55 0.00 0.00 1.85 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.41 7.81 52 K 7.84 4.96 0.00 1.80 1.81 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.49 1.34 7.81 53 P 0.00 4.49 0.00 2.28 2.18 0.00 4.14 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 54 Y 7.12 4.60 0.00 3.09 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 55 E 7.70 4.86 0.00 2.29 2.40 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 2.67 2.46 0.00 56 E 9.32 4.43 0.00 2.14 1.93 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 2.33 2.34 0.00 57 V 8.36 4.71 2.19 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 0.89 0.00 0.00 1.08 0.00 0.00 58 T 8.53 4.78 4.29 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 1.24 0.00 0.00 59 C 8.61 5.38 0.00 2.83 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 60 C 9.51 5.04 0.00 2.93 3.14 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 61 S 8.43 4.86 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 62 T 7.16 4.67 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 1.21 0.00 0.00 63 D 8.80 5.01 0.00 2.77 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.37 3.59 0.00 1.69 1.66 0.00 1.51 0.00 0.00 1.64 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.03 0.70 7.81 65 C 8.17 4.52 0.00 3.09 3.20 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 0.00 0.00 0.00 0.00 66 N 7.74 4.75 0.00 2.78 2.95 0.00 0.00 5.71 7.62 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 67 P 0.00 4.82 0.00 2.18 2.13 0.00 3.81 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 1.94 1.95 0.00 68 H 7.90 4.93 0.00 3.14 3.35 0.00 5.48 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.01 0.00 2.14 2.21 0.00 3.77 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 70 K 8.10 4.01 0.00 1.65 1.86 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.32 7.81 71 Q 7.01 4.53 0.00 1.71 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.35 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 72 R 8.05 4.65 0.00 1.82 1.76 0.00 3.02 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 73 P 0.00 4.34 0.00 2.20 2.17 0.00 3.71 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 74 G 8.22 3.71 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 0.00 0.00 0.00