NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4121 0.0000 0.0000 62.8960 33.3844 174.5282 2 M 4.9679 8.3609 119.5621 52.7996 35.5218 172.5105 3 L 4.8332 9.6413 128.7390 53.3682 45.4959 174.1057 4 E 5.0415 8.9493 125.6513 54.6125 31.6733 175.3528 5 V 4.3903 8.5751 124.4472 60.9905 34.3095 174.0275 6 F 5.2394 8.9185 126.0303 55.8845 41.4017 174.0380 7 Y 4.8509 9.1292 124.8342 55.8656 42.1525 174.1653 8 S 4.2709 7.0793 119.0746 56.6015 65.6640 173.2903 9 G 3.8741 7.6403 113.1606 46.0013 0.0000 172.1688 10 D 4.6555 8.7801 117.8092 55.3083 41.2721 177.5799 11 R 4.5926 7.6126 115.0074 52.9857 29.1898 172.9345 12 P 4.2726 0.0000 0.0000 62.5281 32.4487 175.0084 13 P 4.4662 0.0000 0.0000 61.7456 32.5767 176.2275 14 D 4.6115 8.2454 120.6288 52.9526 41.6983 177.3683 15 R 3.9225 8.5327 118.4311 59.8081 29.8700 179.2317 16 T 3.8405 7.8410 112.2320 65.2209 67.5406 176.2307 17 R 3.9539 8.4270 120.6291 59.2589 29.9434 178.6517 18 K 4.1154 7.9779 118.1206 59.4151 32.1100 179.3732 19 Q 4.0066 8.3807 118.1473 58.4401 28.4864 178.5292 20 A 3.9800 8.0581 122.2186 55.1648 18.4157 179.3256 21 F 4.0634 8.3341 118.9795 61.4500 39.4063 177.2374 22 A 3.7754 8.3337 120.4285 55.0198 18.2034 179.5284 23 A 3.9217 8.0860 119.3681 55.0075 18.3703 179.4061 24 E 3.7925 8.4436 118.1588 59.3659 29.6731 178.9962 25 A 3.7937 7.6578 121.1708 55.0351 18.3563 179.7720 26 S 4.2105 8.0683 112.5930 61.3344 63.1598 176.4775 27 A 3.9889 8.0514 124.4439 54.9750 18.0510 179.7553 28 I 3.5808 8.0018 118.4836 64.5684 37.1199 178.5327 29 F 4.0391 8.2663 118.6266 60.6638 38.8088 177.6172 30 Q 4.1686 8.4192 119.1959 59.1514 28.6633 178.0982 31 R 3.8731 8.0570 118.9945 59.1693 30.1905 178.0394 32 V 3.9823 7.7304 116.7320 64.0939 30.7116 176.3876 33 I 4.3703 7.9228 109.2824 59.8018 38.2473 176.3759 34 G 3.8993 8.2154 107.9322 46.5482 0.0000 173.9669 35 T 3.8438 7.2839 115.9147 63.0261 68.7976 172.6473 36 P 4.4185 0.0000 0.0000 61.3644 32.1235 174.2555 37 P 4.3044 0.0000 0.0000 64.3980 31.5049 176.9136 38 G 3.9391 8.8928 108.4766 45.7367 0.0000 173.9215 39 R 4.3000 7.3673 117.1512 56.4004 31.5567 176.5456 40 L 3.8244 7.7401 120.1201 55.4711 42.6663 176.6200 41 Q 4.2852 8.7309 126.2843 55.1259 29.4593 174.3085 42 L 5.0735 8.3550 126.3655 53.1634 44.5892 175.6511 43 I 4.4984 8.6015 125.8877 59.7695 40.7328 174.1499 44 I 4.5981 8.3854 128.3925 59.8051 38.6557 175.0555 45 Q 4.5254 9.1364 128.7013 54.2739 31.5014 174.1994 46 I 4.6729 8.4928 127.8826 60.4819 37.9725 175.2021 47 V 4.4028 8.8794 128.9360 61.0428 32.6745 176.0665 48 S 4.3949 8.6313 122.5427 57.3941 63.5150 173.5184 49 P 4.3895 0.0000 0.0000 65.4593 31.3084 178.3003 50 E 4.0421 7.6050 118.5118 58.2945 29.5725 176.7624 51 N 4.9818 8.2200 116.0091 53.1046 39.3278 174.1745 52 T 4.6947 7.4170 113.1647 60.6619 73.0049 174.8066 53 L 3.9593 8.4831 122.7039 58.2924 41.5575 178.4201 54 A 4.0881 7.9206 119.3279 54.1500 18.4035 179.1095 55 V 3.7026 7.4677 116.8951 63.9511 31.3026 178.2511 56 I 3.9808 7.2584 121.1090 62.7151 37.1601 175.9511 57 D 4.6416 7.4202 117.4105 51.5116 41.7589 174.8454 58 L 4.2154 8.5861 124.7800 54.9433 42.1222 175.6988 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 P 0.00 4.41 0.00 1.57 2.16 0.00 3.45 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.72 0.00 2 M 8.36 4.97 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 3 L 9.64 4.83 0.00 1.74 1.52 1.17 0.98 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 4 E 8.95 5.04 0.00 1.93 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.26 0.00 5 V 8.58 4.39 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 0.85 0.00 0.00 1.05 0.00 0.00 6 F 8.92 5.24 0.00 2.95 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 7 Y 9.13 4.85 0.00 3.02 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 8 S 7.08 4.27 0.00 3.71 3.42 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 0.00 0.00 0.00 9 G 7.64 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.78 4.66 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 11 R 7.61 4.59 0.00 1.88 1.92 0.00 3.06 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 12 P 0.00 4.27 0.00 2.20 2.24 0.00 3.82 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 13 P 0.00 4.47 0.00 2.05 1.89 0.00 3.29 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 14 D 8.25 4.61 0.00 2.95 2.84 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 0.00 0.00 0.00 15 R 8.53 3.92 0.00 1.87 2.04 0.00 3.12 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 16 T 7.84 3.84 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 1.25 0.00 0.00 17 R 8.43 3.95 0.00 2.11 1.86 0.00 3.19 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 18 K 7.98 4.12 0.00 1.99 1.87 0.00 1.69 0.00 0.00 1.58 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.60 7.81 19 Q 8.38 4.01 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 20 A 8.06 3.98 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 21 F 8.33 4.06 0.00 3.17 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 22 A 8.33 3.78 1.39 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 0.00 0.00 23 A 8.09 3.92 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 24 E 8.44 3.79 0.00 2.14 1.82 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 2.26 2.29 0.00 25 A 7.66 3.79 0.99 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 0.00 0.00 26 S 8.07 4.21 0.00 4.08 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 27 A 8.05 3.99 1.39 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 0.00 0.00 28 I 8.00 3.58 1.90 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.87 0.66 0.00 0.00 29 F 8.27 4.04 0.00 3.12 3.05 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 30 Q 8.42 4.17 0.00 2.29 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 31 R 8.06 3.87 0.00 1.94 2.06 0.00 3.28 0.00 0.00 3.13 7.56 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 V 7.73 3.98 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 0.87 0.00 0.00 0.88 0.00 0.00 33 I 7.92 4.37 1.94 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.96 0.94 0.00 0.00 34 G 8.22 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 0.00 0.00 0.00 35 T 7.28 3.84 4.32 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 0.00 0.00 1.14 0.00 0.00 36 P 0.00 4.42 0.00 2.16 1.96 0.00 3.59 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 37 P 0.00 4.30 0.00 2.16 2.05 0.00 3.79 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 1.98 1.97 0.00 38 G 8.89 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 0.00 0.00 0.00 39 R 7.37 4.30 0.00 1.81 1.93 0.00 3.31 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 40 L 7.74 3.82 0.00 1.37 1.46 0.25 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.73 4.29 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 42 L 8.36 5.07 0.00 1.57 1.50 1.06 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.60 4.50 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.56 0.83 0.00 0.00 44 I 8.39 4.60 1.85 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.57 0.85 0.00 0.00 45 Q 9.14 4.53 0.00 1.92 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 46 I 8.49 4.67 1.93 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 1.26 0.65 1.04 0.00 0.00 47 V 8.88 4.40 2.11 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 0.79 0.00 0.00 1.11 0.00 0.00 48 S 8.63 4.39 0.00 4.06 3.99 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 49 P 0.00 4.39 0.00 2.18 2.10 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 50 E 7.61 4.04 0.00 2.01 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 2.32 2.28 0.00 51 N 8.22 4.98 0.00 2.83 2.78 0.00 0.00 6.74 7.41 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 52 T 7.42 4.69 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 1.21 0.00 0.00 53 L 8.48 3.96 0.00 1.71 1.64 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.92 4.09 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 55 V 7.47 3.70 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 0.80 0.00 0.00 0.96 0.00 0.00 56 I 7.26 3.98 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 1.57 0.52 0.90 0.00 0.00 57 D 7.42 4.64 0.00 2.70 2.59 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 58 L 8.59 4.22 0.00 1.59 1.56 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00