NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3642 8.1744 110.9436 61.1932 70.6031 173.5034 6 N 4.8113 7.8806 120.5671 53.0751 39.4143 173.0830 7 S 4.5210 8.8175 113.3026 57.4401 65.0796 173.1538 8 D 4.8513 8.5149 121.7663 55.0955 41.8650 175.3382 9 F 5.3330 7.9079 113.4853 55.7851 41.2552 173.8709 10 V 4.5638 8.7775 112.6871 59.5816 35.0189 174.8480 11 V 4.7600 8.4979 123.8229 61.3379 33.8494 174.4280 12 I 4.9021 8.9794 128.7069 59.4411 40.6188 174.1216 13 K 5.0584 9.1603 129.3016 54.3682 34.2748 175.0681 14 A 4.4875 8.8737 130.3115 52.1633 19.1448 177.4828 15 L 4.6785 8.9992 122.3168 54.6752 42.6425 176.0272 16 E 4.6901 7.7243 115.4989 54.6550 32.5033 174.4370 17 D 4.4721 8.3340 119.2545 55.5813 41.3520 177.1824 18 G 3.8928 8.3662 109.7109 45.3339 0.0000 174.0627 19 V 3.8487 7.5530 119.6044 63.4321 32.8485 174.3017 20 N 5.3196 9.2317 124.5695 51.4828 41.4934 173.6225 21 V 4.5400 8.6363 124.7302 61.4820 33.2680 174.1398 22 I 4.4851 8.5835 130.4213 59.4788 39.3049 175.3052 23 G 4.0640 8.6779 115.1958 45.3598 0.0000 172.5856 24 L 5.3534 8.8824 127.0281 53.3558 43.8092 176.5082 25 T 4.5784 8.7527 114.4429 61.8159 69.1455 174.2564 26 R 4.4249 7.8075 126.5856 56.9027 29.8847 175.2853 27 G 3.7555 8.7279 109.2393 44.2607 0.0000 173.9661 28 A 4.1376 8.6327 121.6070 54.1277 18.7536 177.5197 29 D 4.8610 7.2722 112.2073 53.0300 42.7049 176.2390 30 T 4.6692 8.3045 122.4331 61.5505 69.6105 172.7812 31 R 4.6902 8.9852 123.2312 53.9780 33.5829 174.2090 32 F 5.5210 8.6289 117.6435 57.0124 39.4982 175.9237 33 H 4.9562 8.8491 118.3435 56.4114 30.4174 174.3024 34 H 4.7157 7.5951 117.3503 55.0462 33.3116 172.0494 35 S 4.7282 8.2582 119.8920 56.3172 64.4425 172.5451 36 E 4.2594 9.0733 130.0561 55.4875 30.7965 175.1233 37 K 4.8051 8.6100 126.7603 55.3843 33.2762 175.8655 38 L 4.9554 8.9567 125.7646 53.0597 44.6419 176.1761 39 D 4.8176 9.3495 123.2075 52.6868 43.0827 175.9729 40 K 4.0162 9.1703 122.2553 58.4422 32.3480 176.3571 41 G 4.1040 8.9322 115.2346 45.4415 0.0000 173.7840 42 E 4.2383 8.2435 119.1583 56.2583 30.7715 176.1643 43 V 4.9152 8.3022 122.1924 61.0148 34.1793 174.2955 44 L 4.7526 9.2101 129.4825 53.2443 45.0475 174.9180 45 I 5.0281 8.5219 126.3247 59.6712 39.1460 174.5708 46 A 4.7409 8.9219 129.2829 50.0471 21.9032 175.4056 47 Q 4.8194 8.5846 120.5216 54.9592 30.4828 175.7056 48 F 4.6975 8.5482 120.3484 57.9847 39.8402 175.3004 49 T 4.6806 8.7028 111.3938 60.2015 71.9050 172.9040 50 E 4.0085 9.0209 121.2123 59.6838 29.5414 177.5592 51 H 4.5508 8.1592 113.5404 56.3557 29.8445 174.1669 52 T 5.0972 8.1883 116.9388 61.9680 71.1269 174.3930 53 S 5.0320 9.0664 120.1057 58.0721 64.8050 173.4601 54 A 5.2305 7.9472 121.4284 51.0765 22.6707 175.0756 55 I 4.9516 8.5469 120.3013 59.3191 40.5786 174.7745 56 K 4.5835 9.0937 128.3428 54.4966 34.8185 174.5883 57 V 4.7886 8.4071 126.7763 61.2105 33.4597 174.6429 58 R 4.5553 9.1491 127.2458 55.3236 33.0353 175.6279 59 G 4.0868 9.0408 109.4018 43.9005 0.0000 172.6960 60 K 4.5140 9.5032 121.2261 56.2004 33.0776 175.6349 61 A 4.9850 8.7964 127.3732 51.2797 23.4399 173.8182 62 Y 4.9275 9.0715 121.7068 56.0152 41.0324 174.5967 63 I 4.9474 8.3778 127.2185 59.4670 41.0386 174.3303 64 Q 4.9356 8.8725 125.5045 54.2710 31.8612 174.8659 65 T 4.7191 8.6935 113.3896 59.3453 72.3988 174.7234 66 R 3.7561 8.5057 120.7684 59.6174 29.8782 176.6284 67 H 4.6262 8.0901 112.5320 55.7591 29.6340 174.8561 68 G 3.7471 6.6363 106.6939 44.2118 0.0000 172.9125 69 V 4.8129 7.9388 113.6470 59.8319 35.1048 175.1209 70 I 4.5794 8.4193 122.0873 59.9224 41.9040 172.9794 71 E 5.3063 8.6622 126.4214 54.5520 31.9232 176.1000 72 S 4.6215 8.8965 118.9561 57.9837 65.1701 172.8083 73 E 4.9208 8.6942 119.4636 54.4705 32.9491 176.3108 74 G 3.7157 8.6342 110.9518 45.7335 0.0000 172.7813 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 T 8.17 4.36 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 1.22 0.00 0.00 6 N 7.88 4.81 0.00 2.78 2.83 0.00 0.00 7.12 6.75 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 7 S 8.82 4.52 0.00 4.14 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 8 D 8.51 4.85 0.00 2.76 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 9 F 7.91 5.33 0.00 2.97 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 10 V 8.78 4.56 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 0.55 0.00 0.00 0.88 0.00 0.00 11 V 8.50 4.76 2.12 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 1.16 0.00 0.00 1.14 0.00 0.00 12 I 8.98 4.90 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.47 0.91 0.00 0.00 13 K 9.16 5.06 0.00 1.90 1.83 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.40 7.81 14 A 8.87 4.49 1.30 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 0.00 0.00 15 L 9.00 4.68 0.00 1.66 1.72 1.01 0.72 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 16 E 7.72 4.69 0.00 2.02 1.88 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 2.18 2.33 0.00 17 D 8.33 4.47 0.00 2.69 2.64 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 18 G 8.37 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 0.00 0.00 0.00 19 V 7.55 3.85 2.07 0.00 0.00 0.00 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 1.01 0.00 0.00 20 N 9.23 5.32 0.00 2.57 2.57 0.00 0.00 6.37 7.25 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 21 V 8.64 4.54 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 0.89 0.00 0.00 0.89 0.00 0.00 22 I 8.58 4.49 1.50 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.31 -0.54 0.00 0.00 23 G 8.68 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.88 5.35 0.00 1.92 1.71 1.02 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.75 4.58 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 1.36 0.00 0.00 26 R 7.81 4.42 0.00 1.92 1.96 0.00 3.23 0.00 0.00 3.08 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.44 0.00 27 G 8.73 3.76 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 0.00 0.00 0.00 28 A 8.63 4.14 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 29 D 7.27 4.86 0.00 2.60 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.30 4.67 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 1.27 0.00 0.00 31 R 8.99 4.69 0.00 1.83 2.02 0.00 2.79 0.00 0.00 3.44 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 32 F 8.63 5.52 0.00 2.88 2.85 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 33 H 8.85 4.96 0.00 3.15 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.60 4.72 0.00 3.34 3.12 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.26 4.73 0.00 3.63 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.07 4.26 0.00 2.13 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 37 K 8.61 4.81 0.00 1.64 1.72 0.00 1.59 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.49 7.81 38 L 8.96 4.96 0.00 1.52 1.53 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.35 4.82 0.00 2.56 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 40 K 9.17 4.02 0.00 1.65 1.74 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.45 1.42 7.81 41 G 8.93 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 42 E 8.24 4.24 0.00 2.04 1.88 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 2.32 2.26 0.00 43 V 8.30 4.92 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 0.80 0.00 0.00 0.96 0.00 0.00 44 L 9.21 4.75 0.00 1.70 1.44 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.52 5.03 1.76 0.00 0.00 0.80 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 0.77 0.69 0.00 0.00 46 A 8.92 4.74 1.12 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 0.00 0.00 47 Q 8.58 4.82 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 48 F 8.55 4.70 0.00 3.02 2.97 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 49 T 8.70 4.68 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 1.25 0.00 0.00 50 E 9.02 4.01 0.00 1.93 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 1.96 2.26 0.00 51 H 8.16 4.55 0.00 3.25 3.21 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.19 5.10 4.35 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 1.34 0.00 0.00 53 S 9.07 5.03 0.00 3.89 4.09 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 54 A 7.95 5.23 1.31 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 0.00 0.00 0.00 55 I 8.55 4.95 1.84 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.64 0.83 0.00 0.00 56 K 9.09 4.58 0.00 1.80 1.53 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.37 7.81 57 V 8.41 4.79 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 0.85 0.00 0.00 0.90 0.00 0.00 58 R 9.15 4.56 0.00 1.70 1.77 0.00 3.11 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 59 G 9.04 4.09 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 0.00 0.00 0.00 60 K 9.50 4.51 0.00 1.92 1.71 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.41 7.81 61 A 8.80 4.99 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 62 Y 9.07 4.93 0.00 3.03 2.81 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 0.00 0.00 0.00 0.00 63 I 8.38 4.95 1.84 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 1.17 0.63 0.86 0.00 0.00 64 Q 8.87 4.94 0.00 1.90 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.13 1.97 0.00 65 T 8.69 4.72 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 1.15 0.00 0.00 66 R 8.51 3.76 0.00 1.70 1.71 0.00 3.15 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 67 H 8.09 4.63 0.00 3.20 3.29 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.64 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 0.00 0.00 0.00 69 V 7.94 4.81 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 0.69 0.00 0.00 0.98 0.00 0.00 70 I 8.42 4.58 1.82 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 1.21 1.35 0.85 0.00 0.00 71 E 8.66 5.31 0.00 1.91 1.88 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 2.41 2.42 0.00 72 S 8.90 4.62 0.00 3.94 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 73 E 8.69 4.92 0.00 1.83 1.85 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 2.21 2.29 0.00 74 G 8.63 3.72 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 0.00 0.00 0.00