NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.4175 8.3193 115.2863 58.3820 63.3608 173.2702 6 E 4.6654 8.6534 116.9170 54.4361 31.0692 173.9098 7 T 5.1081 8.6911 110.8583 60.1575 72.7301 174.4190 8 L 4.8083 8.6691 121.6688 53.4695 45.6916 175.2974 9 C 4.9566 8.2893 119.3860 55.9861 40.9852 174.8500 10 G 3.9067 8.5346 108.6692 46.4165 0.0000 176.0374 11 G 3.6362 8.5651 105.0100 47.6882 0.0000 174.8320 12 E 3.9699 8.1266 121.2356 58.9430 29.5919 178.1960 13 L 3.8202 7.5714 120.2122 58.1931 42.1749 178.9002 14 V 3.6668 7.6794 117.7583 66.4611 31.5802 177.8082 15 D 4.4770 8.6379 118.6092 57.6308 40.5397 179.0413 16 T 3.9450 8.0339 116.2346 66.5557 68.4056 176.7065 17 L 4.0230 8.1799 121.0792 58.0686 41.4442 179.3904 18 Q 4.2466 8.2779 116.4860 59.3582 29.1341 178.9181 19 F 4.2660 8.3973 121.1489 61.1965 39.2530 177.4672 20 V 3.7625 8.2728 117.3985 65.8700 31.7126 176.4765 21 C 4.6984 8.8145 114.4519 56.1213 40.5083 175.0914 22 G 3.6249 7.8289 109.7463 46.8845 0.0000 176.2373 23 D 4.5267 8.6214 123.1268 55.9955 41.2665 177.6063 24 R 3.8761 8.0577 118.0393 57.8942 30.3090 177.5550 25 G 3.9074 8.1525 104.8373 44.4183 0.0000 172.2223 26 F 5.1718 8.3865 116.7178 57.1829 39.7078 175.6277 27 Y 3.9610 8.9432 125.9193 60.3647 38.6144 176.6507 28 F 4.4237 7.6143 119.4879 56.2050 37.5202 175.1325 29 S 4.7338 8.1578 116.8444 58.0430 64.3298 175.5311 30 R 4.7514 7.9556 120.3406 53.0494 34.4993 174.0249 31 P 4.2545 0.0000 0.0000 66.2089 31.1567 178.8076 32 A 4.1325 7.9605 117.6545 55.1018 18.7907 179.3117 33 S 4.3778 8.0849 112.0247 61.1773 63.2256 176.5127 34 R 4.2337 8.1063 121.0808 58.0689 29.9169 177.9839 35 V 4.1496 7.1608 116.2500 60.8469 32.2125 176.2673 36 S 4.5274 7.1873 114.8009 57.7961 64.3058 175.4924 37 R 3.8935 8.5609 120.3449 59.5071 29.6119 179.5401 38 R 3.9518 7.9711 117.3807 59.1664 30.1638 178.8047 39 S 3.0693 7.3574 112.6049 61.2692 62.2865 176.4212 40 R 4.0365 8.1180 120.9005 59.0321 29.5931 179.2281 41 G 3.7044 8.3300 105.9751 47.9951 0.0000 175.8153 42 I 3.7753 7.4566 122.7995 63.8909 37.1735 178.7660 43 V 3.4977 7.7922 119.0522 66.0723 31.2956 177.9409 44 E 4.3557 8.9318 119.0364 59.3359 29.2380 178.9318 45 E 3.9741 8.0311 119.4623 59.6224 29.7024 178.1131 46 C 4.3472 8.1742 116.4997 60.1765 40.0221 175.4624 47 C 4.3991 7.9125 119.9070 59.0296 43.4668 175.2603 48 F 4.1588 8.4265 117.8533 59.5416 38.6899 175.2827 49 R 4.5669 7.9476 114.2471 55.6280 33.0438 175.2399 50 S 4.8312 7.2289 110.6363 57.8091 65.5805 174.6778 51 C 5.1296 9.5873 122.8262 55.0006 45.2519 172.4666 52 D 4.9227 8.4777 123.7447 50.6132 43.0022 176.0410 53 L 3.9691 8.6614 119.0619 58.0337 41.9962 178.6673 54 A 3.9545 7.9814 120.4253 54.9328 18.2352 179.0032 55 L 3.9033 8.7855 118.0054 58.3812 42.4023 178.6709 56 L 4.1511 8.2155 119.1417 58.1957 41.6221 179.4910 57 E 4.0195 8.7529 118.8261 59.5838 29.1442 179.4643 58 T 3.9267 7.6773 108.3551 64.3825 69.0100 175.1362 59 Y 4.2490 8.2673 121.7756 58.2883 38.9408 174.1428 60 C 5.1449 7.3358 116.4275 56.0224 41.7127 173.3816 61 A 4.5060 8.5640 125.6327 52.7174 19.0453 177.7734 62 T 4.7148 8.0219 107.2115 59.8603 68.6163 171.9211 63 P 4.3758 0.0000 0.0000 63.4277 32.6828 176.8022 64 A 4.2649 8.3317 120.6667 52.4162 18.9923 177.2709 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 5 S 8.32 4.42 0.00 3.82 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 6 E 8.65 4.67 0.00 2.11 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 2.23 2.37 0.00 7 T 8.69 5.11 4.45 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 1.24 0.00 0.00 8 L 8.67 4.81 0.00 1.49 1.48 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 9 C 8.29 4.96 0.00 2.80 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.53 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.57 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 0.00 0.00 0.00 12 E 8.13 3.97 0.00 2.02 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 0.00 2.34 2.33 0.00 13 L 7.57 3.82 0.00 1.69 1.80 0.79 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.68 3.67 2.25 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 1.14 0.00 0.00 1.04 0.00 0.00 15 D 8.64 4.48 0.00 2.85 2.73 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 0.00 0.00 0.00 16 T 8.03 3.95 4.37 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 1.24 0.00 0.00 17 L 8.18 4.02 0.00 1.82 1.52 -0.03 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.28 4.25 0.00 2.43 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.97 0.00 0.00 0.00 0.00 0.00 2.34 2.69 0.00 19 F 8.40 4.27 0.00 3.32 3.29 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 20 V 8.27 3.76 2.36 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 1.00 0.00 0.00 1.12 0.00 0.00 21 C 8.81 4.70 0.00 3.25 3.40 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 22 G 7.83 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 0.00 0.00 0.00 23 D 8.62 4.53 0.00 2.66 2.72 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 0.00 0.00 0.00 0.00 24 R 8.06 3.88 0.00 2.01 2.04 0.00 3.53 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 25 G 8.15 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.39 5.17 0.00 3.11 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 27 Y 8.94 3.96 0.00 2.67 2.26 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 28 F 7.61 4.42 0.00 2.90 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 29 S 8.16 4.73 0.00 3.94 4.08 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 30 R 7.96 4.75 0.00 1.80 1.82 0.00 3.32 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.75 0.00 31 P 0.00 4.25 0.00 2.17 2.17 0.00 3.62 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 2.14 2.22 0.00 32 A 7.96 4.13 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 0.00 0.00 0.00 0.00 0.00 33 S 8.08 4.38 0.00 4.26 4.18 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 0.00 0.00 0.00 0.00 34 R 8.11 4.23 0.00 2.10 2.17 0.00 3.38 0.00 0.00 3.67 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 35 V 7.16 4.15 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 0.86 0.00 0.00 0.96 0.00 0.00 36 S 7.19 4.53 0.00 4.13 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 37 R 8.56 3.89 0.00 1.89 2.03 0.00 3.14 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 38 R 7.97 3.95 0.00 2.05 2.27 0.00 3.28 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.77 0.00 39 S 7.36 3.07 0.00 2.93 3.75 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 40 R 8.12 4.04 0.00 1.98 1.97 0.00 3.37 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 41 G 8.33 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.46 3.78 2.15 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 1.50 0.81 1.03 0.00 0.00 43 V 7.79 3.50 2.13 0.00 0.00 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 0.78 0.00 0.00 44 E 8.93 4.36 0.00 2.13 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 2.55 2.50 0.00 45 E 8.03 3.97 0.00 2.05 2.20 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 2.33 2.56 0.00 46 C 8.17 4.35 0.00 3.11 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.91 4.40 0.00 2.91 2.94 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 48 F 8.43 4.16 0.00 3.13 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 49 R 7.95 4.57 0.00 1.92 1.87 0.00 3.22 0.00 0.00 3.30 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 50 S 7.23 4.83 0.00 3.81 3.78 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 51 C 9.59 5.13 0.00 3.06 2.92 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 52 D 8.48 4.92 0.00 2.78 2.72 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 0.00 0.00 0.00 0.00 53 L 8.66 3.97 0.00 1.80 1.73 1.06 1.05 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 54 A 7.98 3.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.79 3.90 0.00 1.68 1.86 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.22 4.15 0.00 1.91 1.74 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.75 4.02 0.00 2.11 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 2.64 2.49 0.00 58 T 7.68 3.93 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 59 Y 8.27 4.25 0.00 3.05 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 60 C 7.34 5.14 0.00 3.08 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 61 A 8.56 4.51 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 62 T 8.02 4.71 4.25 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 1.19 0.00 0.00 63 P 0.00 4.38 0.00 2.20 2.10 0.00 3.85 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 1.99 1.97 0.00 64 A 8.33 4.26 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