NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 S 4.4031 8.3193 116.7951 58.3949 63.8999 173.0148 18 R 4.3066 8.5055 121.7924 54.2142 31.0496 172.1221 19 K 4.3058 9.4651 121.9219 55.4635 35.4250 177.7196 20 A 4.8405 7.7332 126.4102 51.8201 20.8242 177.5615 21 K 3.7052 8.7480 123.1733 57.4259 32.5638 176.8942 22 V 3.3162 7.8149 119.6619 62.8248 31.2824 174.6420 23 K 4.1266 7.2856 115.4759 60.0532 33.3755 177.3204 24 A 4.5758 7.6441 124.8617 53.1349 18.3669 177.9585 25 T 4.4941 8.3978 115.4727 64.2955 70.1760 173.7938 26 L 4.8512 7.4787 120.5744 53.1546 45.8856 174.7058 27 G 4.0052 7.7930 108.0895 43.6270 0.0000 172.1105 28 E 4.0199 8.7329 119.3588 56.9476 29.4662 176.6942 29 F 5.0452 9.3574 118.1347 54.7984 41.0121 175.1372 30 D 4.4976 8.4782 122.7068 53.4570 39.4243 176.2394 31 L 3.9566 7.8486 120.9996 55.9460 40.1702 177.7789 32 R 4.5029 7.8822 118.1317 56.0863 30.4745 174.1229 33 D 4.7580 8.0939 115.6840 52.0374 42.9922 175.2163 34 Y 4.6101 7.7236 122.8363 56.9914 38.7722 176.1107 35 R 4.3527 8.7607 120.9204 57.4438 31.3744 176.9196 36 N 4.5821 7.6774 116.5108 51.0945 34.5737 175.5155 37 V 3.1737 7.5674 121.9492 66.7325 32.4863 178.5253 38 E 3.6566 7.3068 120.0560 59.2552 30.3619 179.2610 39 V 3.6025 8.0805 116.6722 67.2005 31.5410 178.0992 40 L 4.1713 8.2698 117.6371 58.0328 41.9990 179.5455 41 K 3.9178 9.4366 119.7666 59.8485 31.6657 178.6415 42 R 4.0758 7.8993 117.3318 58.7092 30.1553 177.1533 43 F 4.5959 8.9340 116.7262 57.2089 38.9221 174.6189 44 L 5.2334 7.2151 119.6577 52.4990 44.1233 176.7440 45 S 4.4010 8.6349 117.9558 58.0286 63.6301 174.3812 46 E 4.2769 8.6287 116.2454 57.0285 29.5269 177.1041 47 T 4.9751 7.3168 109.3824 60.9942 70.2916 175.7897 48 G 4.1678 8.0753 110.7180 45.1149 0.0000 172.7281 49 K 4.5639 8.1706 119.2517 53.9123 34.3652 175.5275 50 I 4.0712 8.5956 125.4084 61.9053 37.4464 175.9458 51 L 4.3601 8.6148 127.8730 54.0048 42.3743 175.8577 52 P 4.6032 0.0000 0.0000 61.9664 32.3684 177.2336 53 R 4.4365 9.0842 118.2558 58.9078 29.9523 179.1024 54 R 4.0669 8.1221 112.2169 58.3045 29.1645 176.7196 55 R 4.6228 8.1834 112.1037 55.4668 30.9295 175.7995 56 T 4.2470 7.9329 108.3696 61.0820 70.1696 175.7593 57 G 4.1007 9.2547 109.5088 46.3334 0.0000 173.4782 58 L 4.6106 7.8492 118.5230 53.1113 43.7015 177.4314 59 S 4.5120 8.0947 114.7604 57.8885 64.8158 173.0590 60 A 4.1690 7.9425 119.5319 54.1756 17.9805 179.2462 61 K 3.9067 8.0382 116.8939 59.2473 32.3439 179.1119 62 E 3.9103 7.9090 118.7407 59.1438 29.6654 178.6718 63 Q 3.8879 8.2631 119.9312 59.1358 29.1257 178.3199 64 R 3.8956 8.3656 119.4622 59.4815 30.1643 179.0573 65 I 3.6273 7.2117 118.9288 64.1236 37.0303 178.0819 66 L 3.6148 7.7390 120.8538 58.1916 41.8599 178.3815 67 A 3.8650 7.9118 120.3366 55.4703 18.2635 179.0357 68 K 3.7338 8.0058 116.9999 60.4197 32.2856 178.7775 69 T 3.9222 8.0675 109.5327 64.8333 68.6343 176.4639 70 I 3.6438 8.0674 123.0163 63.9399 37.1167 178.2957 71 K 3.7432 8.3330 119.7002 59.6182 31.7255 179.1361 72 R 3.7841 7.6645 116.4288 59.4089 30.3369 178.3705 73 A 4.1965 7.8496 119.9376 55.3995 18.3236 179.5107 74 R 4.2064 7.5871 117.6691 59.0028 29.8864 179.3609 75 I 3.9177 7.4852 117.2510 64.1385 37.0655 178.0304 76 L 4.2746 8.1997 119.7197 55.7665 41.6392 177.8979 77 G 4.1623 8.0981 105.6152 45.2627 0.0000 174.1901 78 L 4.3012 7.7061 119.5546 55.7165 42.6898 176.8713 79 L 4.8525 7.4106 116.9230 51.8504 44.9790 174.0688 80 P 4.6909 0.0000 0.0000 62.7036 31.9819 176.6319 81 F 4.3116 8.5634 119.4161 59.5076 39.9233 176.1291 82 T 4.7086 7.5990 113.0505 63.1213 72.4133 172.8611 83 E 4.8182 9.3876 121.9309 54.6876 33.2531 174.4907 84 K 4.0691 8.9789 122.8708 57.3315 32.9101 176.1777 85 L 4.1088 8.5566 124.9420 54.8452 42.8201 175.8840 86 V 4.1342 7.8241 125.0057 61.9759 33.0872 173.6545 87 R 3.6233 8.5438 128.4820 56.4002 27.1436 176.0812 88 K 4.1466 8.4015 121.8964 56.2448 32.2568 175.9914 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 17 S 8.32 4.40 0.00 3.88 3.89 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 18 R 8.51 4.31 0.00 1.91 1.88 0.00 3.03 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.77 0.00 19 K 9.47 4.31 0.00 1.71 1.83 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.32 7.81 20 A 7.73 4.84 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 21 K 8.75 3.71 0.00 1.75 1.94 0.00 1.91 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.47 7.81 22 V 7.81 3.32 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 0.51 0.00 0.00 0.86 0.00 0.00 23 K 7.29 4.13 0.00 2.24 1.84 0.00 1.86 0.00 0.00 1.87 0.00 0.00 3.17 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.56 7.81 24 A 7.64 4.58 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 25 T 8.40 4.49 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 1.14 0.00 0.00 26 L 7.48 4.85 0.00 0.89 1.32 0.99 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.79 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 0.00 0.00 0.00 28 E 8.73 4.02 0.00 2.00 2.03 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 0.00 2.36 2.33 0.00 29 F 9.36 5.05 0.00 3.07 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 30 D 8.48 4.50 0.00 2.68 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 31 L 7.85 3.96 0.00 1.31 0.99 0.74 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.88 4.50 0.00 1.70 2.04 0.00 3.18 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 33 D 8.09 4.76 0.00 2.52 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.72 4.61 0.00 3.07 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 35 R 8.76 4.35 0.00 1.60 1.93 0.00 3.12 0.00 0.00 3.31 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.19 0.00 36 N 7.68 4.58 0.00 2.85 2.97 0.00 0.00 6.44 7.55 0.00 0.00 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 V 7.57 3.17 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 1.00 0.00 0.00 1.05 0.00 0.00 38 E 7.31 3.66 0.00 2.02 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 2.38 0.00 39 V 8.08 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 1.44 0.00 0.00 1.06 0.00 0.00 40 L 8.27 4.17 0.00 1.86 1.75 1.02 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.44 3.92 0.00 1.85 2.11 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.54 7.81 42 R 7.90 4.08 0.00 1.77 1.69 0.00 3.09 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.01 0.00 43 F 8.93 4.60 0.00 3.19 3.10 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 0.00 0.00 0.00 0.00 44 L 7.22 5.23 0.00 1.85 1.56 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.63 4.40 0.00 4.01 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 46 E 8.63 4.28 0.00 2.10 2.09 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 2.27 2.30 0.00 47 T 7.32 4.98 4.26 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 1.22 0.00 0.00 48 G 8.08 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 49 K 8.17 4.56 0.00 1.74 1.74 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.42 7.81 50 I 8.60 4.07 1.88 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 1.33 0.33 0.93 0.00 0.00 51 L 8.61 4.36 0.00 1.62 1.64 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.60 0.00 2.24 2.19 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 53 R 9.08 4.44 0.00 1.92 2.09 0.00 3.45 0.00 0.00 3.37 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.65 0.00 54 R 8.12 4.07 0.00 1.92 2.11 0.00 2.98 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 55 R 8.18 4.62 0.00 1.88 2.01 0.00 3.06 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 56 T 7.93 4.25 4.67 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 1.45 0.00 0.00 57 G 9.25 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.85 4.61 0.00 1.79 1.68 1.35 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.09 4.51 0.00 4.01 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 60 A 7.94 4.17 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 61 K 8.04 3.91 0.00 1.82 1.85 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.55 7.81 62 E 7.91 3.91 0.00 2.10 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 2.29 2.30 0.00 63 Q 8.26 3.89 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 64 R 8.37 3.90 0.00 1.81 1.94 0.00 3.17 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 65 I 7.21 3.63 1.92 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 1.36 0.80 0.90 0.00 0.00 66 L 7.74 3.61 0.00 1.39 1.66 0.29 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.91 3.86 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.01 3.73 0.00 1.97 2.02 0.00 1.50 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.50 7.81 69 T 8.07 3.92 4.26 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 1.25 0.00 0.00 70 I 8.07 3.64 1.93 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 1.44 0.77 0.85 0.00 0.00 71 K 8.33 3.74 0.00 1.93 1.85 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.69 7.81 72 R 7.66 3.78 0.00 1.90 1.72 0.00 3.05 0.00 0.00 2.77 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.80 0.00 73 A 7.85 4.20 1.45 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 74 R 7.59 4.21 0.00 1.24 0.66 0.00 2.86 0.00 0.00 2.51 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.59 0.00 75 I 7.49 3.92 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.76 0.94 0.00 0.00 76 L 8.20 4.27 0.00 1.77 1.77 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.10 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 0.00 0.00 0.00 78 L 7.71 4.30 0.00 1.67 1.76 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.41 4.85 0.00 1.60 1.41 0.89 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.69 0.00 2.04 2.00 0.00 3.63 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 81 F 8.56 4.31 0.00 3.05 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 82 T 7.60 4.71 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 1.25 0.00 0.00 83 E 9.39 4.82 0.00 1.97 2.03 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 0.00 2.33 2.40 0.00 84 K 8.98 4.07 0.00 1.79 1.91 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.67 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.49 7.81 85 L 8.56 4.11 0.00 1.62 1.61 1.04 0.90 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 86 V 7.82 4.13 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 0.86 0.00 0.00 0.97 0.00 0.00 87 R 8.54 3.62 0.00 1.99 1.96 0.00 3.40 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 88 K 8.40 4.15 0.00 1.70 1.66 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.41 7.81