NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4298 8.3344 115.3024 58.0504 63.6829 173.1941 8 D 4.7140 8.4786 126.9814 52.4929 42.7343 173.5248 9 F 5.4522 8.7521 117.6686 55.5121 42.1243 173.2030 10 V 4.6322 9.1585 111.4780 59.5632 35.9196 175.0724 11 V 4.6910 8.8914 123.9399 61.5958 33.3880 174.5553 12 I 4.8717 8.8993 129.5133 59.6035 39.7622 174.4030 13 K 4.9621 9.5220 130.2601 54.4445 33.9587 175.3020 14 A 4.3961 8.8125 130.3612 51.8201 19.4311 177.3342 15 L 4.9445 8.6419 121.8460 53.6429 42.5935 176.0536 16 E 4.7862 7.5545 115.2241 55.8109 31.2035 175.6873 17 D 4.6260 8.6655 119.8581 55.3253 41.4213 176.1885 18 G 3.8854 8.4118 107.6338 46.6099 0.0000 174.4052 19 V 3.9665 7.8845 119.5655 62.4713 33.1171 174.3231 20 N 5.2202 9.5364 125.2178 51.8531 41.9883 173.0952 21 V 4.4858 8.7734 127.3433 61.8390 33.0266 174.3057 22 I 4.7921 9.2039 130.4074 59.5315 39.7052 175.0377 23 G 4.2831 8.9310 114.6429 44.9429 0.0000 172.4747 24 L 5.4733 8.9378 126.0482 53.0311 44.0411 176.3908 25 T 4.4731 8.8400 114.1473 62.0581 69.3170 173.9467 26 R 4.8733 7.6542 124.3416 56.2929 31.2805 174.6404 27 G 3.6893 8.9708 108.8497 43.8673 0.0000 172.9780 28 A 4.0801 8.7250 121.1316 54.9479 18.3894 178.1043 29 D 4.8302 7.7768 113.3815 53.5851 42.4054 175.9092 30 T 4.8135 8.1239 117.6354 61.9743 71.5821 173.4182 31 R 4.8088 8.3144 121.3979 54.8354 33.2839 174.1860 32 F 5.1311 8.6083 115.8726 56.9082 38.9105 174.9465 33 H 4.7479 8.4400 114.9683 54.8250 29.6771 172.7665 34 H 4.5434 7.5407 117.3924 56.0580 33.0113 172.9210 35 S 4.7688 8.2629 118.7721 57.0226 64.9699 172.4810 36 E 4.6440 9.1677 130.3485 54.3560 30.9883 174.7416 37 K 4.7776 8.6220 126.9858 56.1794 34.1839 176.0788 38 L 4.9980 8.8046 123.1154 53.1801 45.2138 175.7222 39 D 5.2009 10.1403 123.6113 51.9878 43.7873 175.8869 40 K 3.7612 8.7337 119.6338 59.6878 32.2296 177.1823 41 G 3.9915 8.8971 113.5986 44.7987 0.0000 173.1523 42 E 4.2897 8.0012 119.5389 56.1686 30.9145 175.8428 43 V 4.9467 8.2821 122.0363 61.0589 33.9644 174.3857 44 L 4.7455 9.0330 129.4630 53.2774 45.0929 174.9459 45 I 4.9201 8.5512 126.5650 59.7498 38.7674 174.5540 46 A 4.8165 9.0298 128.9682 50.0870 22.3556 174.8801 47 Q 5.0117 8.4740 118.4900 54.3807 31.2098 175.4684 48 F 4.5463 8.8752 121.0289 57.7117 40.2410 175.4742 49 T 4.7075 8.7164 111.6122 60.2221 71.6806 173.8666 50 E 4.0501 8.8527 120.6215 59.1529 29.9982 177.5750 51 H 4.4965 8.7886 115.6205 56.3425 29.9643 174.3100 52 T 5.2184 7.7270 115.3873 61.9311 70.8004 174.7063 53 S 5.0074 8.9307 120.4773 58.0605 64.7517 173.4738 54 A 5.2256 7.8538 120.9759 51.3417 22.4530 175.2426 55 I 5.0124 8.6671 121.4559 59.3363 40.4111 174.7290 56 K 4.5940 9.2538 128.5120 54.5480 34.6304 174.6320 57 V 4.7552 8.4233 126.8066 61.2275 33.5697 174.5511 58 R 4.4513 8.6971 127.2417 55.3559 32.4384 174.7202 59 G 3.4841 8.7322 109.2352 43.8113 0.0000 172.5986 60 K 4.6167 9.9746 121.5846 54.5847 32.4783 175.8064 61 A 5.1575 8.9320 129.0144 50.2088 23.1293 173.7697 62 Y 4.6860 9.3769 123.1198 56.4453 40.5408 174.3111 63 I 5.0099 8.0642 127.6111 59.5338 40.6110 174.4801 64 Q 5.0372 9.3099 126.4678 54.3172 31.6322 175.0700 65 T 4.6145 8.4627 114.0795 59.3404 71.9468 175.0621 66 R 3.7845 8.3821 120.6109 59.7549 30.0475 176.7325 67 H 4.5124 8.1059 112.8719 55.7412 28.7929 173.4279 68 G 3.6465 7.5502 106.2838 43.7700 0.0000 172.9743 69 V 4.3064 7.9830 118.6469 62.3323 32.6509 175.6533 70 I 4.5856 8.5965 126.4474 59.5834 41.8392 173.0226 71 E 5.2737 8.7125 127.8911 54.6291 31.1621 175.5949 72 S 4.6722 8.9803 119.3302 57.2438 65.5199 174.4154 73 E 4.2724 8.5275 120.0247 56.6840 29.8859 175.9505 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 7 S 8.33 4.43 0.00 3.91 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 8.48 4.71 0.00 2.90 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 8.75 5.45 0.00 2.97 2.99 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 10 V 9.16 4.63 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 0.66 0.00 0.00 0.85 0.00 0.00 11 V 8.89 4.69 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 1.02 0.00 0.00 1.19 0.00 0.00 12 I 8.90 4.87 1.89 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 1.12 0.70 0.93 0.00 0.00 13 K 9.52 4.96 0.00 1.88 1.93 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.39 7.81 14 A 8.81 4.40 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 15 L 8.64 4.94 0.00 1.62 1.69 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.55 4.79 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 2.03 2.16 0.00 17 D 8.67 4.63 0.00 2.69 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 18 G 8.41 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 7.88 3.97 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 0.97 0.00 0.00 1.06 0.00 0.00 20 N 9.54 5.22 0.00 2.75 2.55 0.00 0.00 6.82 6.57 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 21 V 8.77 4.49 2.18 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 0.97 0.00 0.00 0.93 0.00 0.00 22 I 9.20 4.79 1.85 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.45 0.92 0.00 0.00 23 G 8.93 4.28 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 0.00 0.00 0.00 24 L 8.94 5.47 0.00 1.83 1.67 1.06 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.84 4.47 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 1.29 0.00 0.00 26 R 7.65 4.87 0.00 1.88 1.97 0.00 3.14 0.00 0.00 3.07 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.43 0.00 27 G 8.97 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.73 4.08 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 7.78 4.83 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 4.81 4.27 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 1.26 0.00 0.00 31 R 8.31 4.81 0.00 1.82 1.93 0.00 2.63 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.45 0.00 32 F 8.61 5.13 0.00 3.17 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 33 H 8.44 4.75 0.00 3.22 3.38 0.00 5.80 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.54 4.54 0.00 3.31 3.14 0.00 5.82 0.00 0.00 0.00 0.00 6.77 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 4.77 0.00 3.84 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 36 E 9.17 4.64 0.00 2.25 1.84 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 2.25 2.30 0.00 37 K 8.62 4.78 0.00 1.78 1.77 0.00 1.56 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.46 7.81 38 L 8.80 5.00 0.00 1.58 1.57 0.93 0.91 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 10.14 5.20 0.00 2.58 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 40 K 8.73 3.76 0.00 1.84 1.87 0.00 1.57 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.42 7.81 41 G 8.90 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 0.00 0.00 0.00 42 E 8.00 4.29 0.00 1.97 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 2.33 2.42 0.00 43 V 8.28 4.95 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 0.95 0.00 0.00 44 L 9.03 4.75 0.00 1.75 1.46 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.55 4.92 1.75 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 1.29 0.75 0.61 0.00 0.00 46 A 9.03 4.82 1.14 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 0.00 0.00 47 Q 8.47 5.01 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 48 F 8.88 4.55 0.00 2.98 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 49 T 8.72 4.71 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 1.30 0.00 0.00 50 E 8.85 4.05 0.00 1.92 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 2.18 2.29 0.00 51 H 8.79 4.50 0.00 3.26 3.25 0.00 5.80 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.73 5.22 4.33 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 1.28 0.00 0.00 53 S 8.93 5.01 0.00 3.92 4.11 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 54 A 7.85 5.23 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 55 I 8.67 5.01 1.87 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.66 0.88 0.00 0.00 56 K 9.25 4.59 0.00 1.79 1.64 0.00 1.58 0.00 0.00 1.52 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.35 7.81 57 V 8.42 4.76 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 0.87 0.00 0.00 0.93 0.00 0.00 58 R 8.70 4.45 0.00 1.73 1.77 0.00 3.09 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 59 G 8.73 3.48 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 0.00 0.00 0.00 60 K 9.97 4.62 0.00 2.00 1.90 0.00 1.53 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.30 7.81 61 A 8.93 5.16 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 62 Y 9.38 4.69 0.00 3.03 2.87 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 63 I 8.06 5.01 1.83 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 1.15 0.71 0.92 0.00 0.00 64 Q 9.31 5.04 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 65 T 8.46 4.61 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 1.18 0.00 0.00 66 R 8.38 3.78 0.00 1.62 1.82 0.00 3.19 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 67 H 8.11 4.51 0.00 3.15 3.26 0.00 5.69 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 7.55 3.65 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 0.00 0.00 0.00 69 V 7.98 4.31 1.92 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 0.30 0.00 0.00 0.93 0.00 0.00 70 I 8.60 4.59 1.81 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 1.19 1.12 0.89 0.00 0.00 71 E 8.71 5.27 0.00 1.89 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 2.23 2.26 0.00 72 S 8.98 4.67 0.00 3.88 3.97 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 73 E 8.53 4.27 0.00 1.93 1.84 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 2.20 2.26 0.00