NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3165 8.4449 120.2255 56.0663 29.9560 175.2741 4 R 4.0023 8.3970 123.1363 54.4634 31.3450 175.6452 5 P 4.1783 0.0000 0.0000 66.1605 32.1992 178.4560 6 L 3.9178 7.9008 118.0565 57.9721 41.9335 178.7153 7 D 4.2642 8.0034 119.0411 57.3644 40.6535 178.5163 8 V 3.5690 7.7493 116.7233 66.3979 31.6954 177.6533 9 I 3.6690 7.5540 119.1325 64.3612 36.9273 177.9381 10 H 4.2058 7.9104 119.1819 59.3404 29.5714 177.4695 11 R 4.0509 8.3021 118.4167 58.2206 30.1564 178.0246 12 S 4.4905 7.5456 113.7295 57.3529 63.3093 173.9638 13 L 4.2964 7.1003 122.3029 56.4183 41.8530 176.6106 14 D 4.4943 9.4587 120.7650 54.9842 39.1626 173.5013 15 K 4.7782 7.6988 117.8386 54.1319 36.4010 174.9859 16 D 4.9464 8.6146 121.9333 54.6637 41.9356 175.7323 17 V 4.8850 9.0098 118.0515 59.6454 36.9458 173.9501 18 L 4.9357 9.1050 124.9297 53.5519 44.2410 175.3687 19 V 4.6630 9.0933 127.9652 61.3311 33.1566 174.4120 20 I 4.3353 8.6815 130.5241 60.8198 38.3799 175.8855 21 L 4.8816 8.1104 126.2919 53.2257 44.5442 177.5254 22 K 4.5566 7.6728 118.4755 54.3050 29.8524 176.0846 23 K 4.3796 8.5411 120.1528 55.8757 38.6721 176.4535 24 G 4.0988 8.7580 105.5492 44.7945 0.0000 172.8368 25 F 5.2092 8.5918 114.8152 55.3585 41.5926 173.5452 26 E 4.7634 9.0511 116.2438 55.4108 33.5366 173.6928 27 F 5.3467 9.2012 117.9683 55.7326 42.6929 174.9069 28 R 5.0743 8.7986 120.8924 54.2508 33.9041 175.1695 29 G 4.3451 8.0714 108.4437 46.3220 0.0000 171.3004 30 R 4.8490 8.1872 120.9380 54.8230 31.5373 175.2607 31 L 4.6546 8.9661 130.0729 55.1615 42.7890 176.6572 32 I 4.6060 8.3459 119.0806 59.8487 38.7838 175.1324 33 G 4.1354 7.5661 109.6412 46.6610 0.0000 171.5427 34 Y 5.4092 7.9924 117.4913 57.4398 40.4315 171.5861 35 D 4.7436 8.0827 118.2255 51.4493 42.6272 175.9801 36 I 3.8395 8.2215 111.5869 63.7598 37.4490 176.4645 37 H 4.4791 8.1798 116.2936 55.9263 28.8976 175.4665 38 L 3.8594 8.0759 118.5349 55.2588 39.5769 174.1849 39 N 4.8756 8.2546 116.5519 53.5480 39.7055 174.7029 40 V 5.0140 8.8459 114.6912 59.6472 36.8273 174.4611 41 V 4.7835 8.5685 121.9396 61.1886 34.1448 174.4020 42 L 5.3615 8.8620 126.9754 52.8723 45.3271 175.1220 43 A 5.0709 9.0133 123.4304 50.5964 21.8380 176.1972 44 D 4.4003 8.9326 120.4409 55.3859 39.1098 173.7010 45 A 4.9790 8.4541 121.3363 51.4948 21.4253 178.0015 46 E 5.1192 9.2681 117.4720 54.9461 33.1428 174.2855 47 M 4.2836 9.2131 125.4747 55.1883 33.7224 174.7730 48 I 5.0164 9.0369 127.5354 59.5507 41.0860 174.4700 49 Q 4.6011 8.8626 126.9949 54.7644 32.1540 174.6327 50 D 4.6249 10.0431 126.7318 55.4105 38.3470 174.9962 51 G 4.0355 8.9554 107.6545 44.9065 0.0000 173.9339 52 E 4.7163 7.8084 116.9781 53.7588 32.3634 175.7032 53 V 4.1808 8.3078 120.7737 63.4689 32.1905 175.9334 54 V 4.4924 8.6525 117.7549 61.5558 34.3707 175.6752 55 K 4.5659 7.7637 117.4271 55.1258 36.6851 174.8241 56 R 5.0679 7.9447 121.0458 54.9649 33.4930 173.9982 57 Y 4.8051 9.3618 121.5189 56.4448 42.1856 176.5120 58 G 3.6838 9.0869 111.0832 49.0079 0.0000 173.3415 59 K 5.2314 7.8432 119.8776 54.7714 35.4482 175.0457 60 I 4.4746 8.6764 126.1497 59.4619 41.9873 173.4094 61 V 4.5294 8.2080 128.3551 61.3901 32.9847 174.5739 62 I 4.2595 8.4212 129.9062 59.3424 39.3167 175.6966 63 R 4.4318 8.5427 127.0812 55.7132 30.7119 177.9401 64 G 3.7212 9.6367 112.8887 48.6192 0.0000 174.9495 65 D 4.3093 8.1424 118.0105 56.4607 39.9991 176.2248 66 N 4.7484 8.0774 114.8392 53.1815 39.3563 174.5113 67 V 4.2839 7.6677 119.7195 62.1085 32.4902 175.2029 68 L 4.3791 8.9561 129.8093 57.4563 42.7411 176.1063 69 A 4.6234 7.4562 117.3480 51.2491 22.7167 175.0137 70 I 5.0114 8.1977 119.0288 59.6620 41.0636 175.0707 71 S 4.5913 9.1321 121.3257 56.0941 64.9612 172.8382 72 P 4.0308 0.0000 0.0000 65.9484 31.5070 176.4981 73 T 3.6692 7.8510 117.3081 63.9942 68.0366 171.7694 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 3 E 8.44 4.32 0.00 1.96 2.00 0.00 0.00 0.00 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 2.34 0.00 4 R 8.40 4.00 0.00 1.95 1.84 0.00 3.15 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 5 P 0.00 4.18 0.00 2.13 2.10 0.00 3.59 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 2.11 2.16 0.00 6 L 7.90 3.92 0.00 1.67 1.67 1.07 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.00 4.26 0.00 2.89 2.69 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 8 V 7.75 3.57 2.16 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 0.83 0.00 0.00 0.95 0.00 0.00 9 I 7.55 3.67 1.54 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.93 0.13 0.00 0.00 10 H 7.91 4.21 0.00 3.44 3.51 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.30 4.05 0.00 1.90 1.95 0.00 3.21 0.00 0.00 3.33 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 12 S 7.55 4.49 0.00 3.92 3.84 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 13 L 7.10 4.30 0.00 1.74 1.64 1.05 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 14 D 9.46 4.49 0.00 2.77 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 15 K 7.70 4.78 0.00 1.88 1.64 0.00 1.78 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.52 7.81 16 D 8.61 4.95 0.00 2.70 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 17 V 9.01 4.89 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 0.73 0.00 0.00 0.98 0.00 0.00 18 L 9.10 4.94 0.00 1.69 1.63 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.09 4.66 2.16 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 0.98 0.00 0.00 0.92 0.00 0.00 20 I 8.68 4.34 1.85 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 1.38 0.37 0.90 0.00 0.00 21 L 8.11 4.88 0.00 1.26 1.55 -0.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.67 4.56 0.00 1.64 1.80 0.00 1.64 0.00 0.00 1.84 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.47 7.81 23 K 8.54 4.38 0.00 1.98 1.64 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.50 1.62 7.81 24 G 8.76 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 25 F 8.59 5.21 0.00 3.29 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 26 E 9.05 4.76 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 27 F 9.20 5.35 0.00 2.92 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 28 R 8.80 5.07 0.00 1.80 1.81 0.00 3.22 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 29 G 8.07 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 0.00 0.00 0.00 0.00 30 R 8.19 4.85 0.00 1.91 1.82 0.00 3.25 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 31 L 8.97 4.65 0.00 1.80 1.72 1.03 0.99 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 32 I 8.35 4.61 1.88 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 1.31 0.86 0.97 0.00 0.00 33 G 7.57 4.14 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 0.00 34 Y 7.99 5.41 0.00 3.02 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 35 D 8.08 4.74 0.00 2.83 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.22 3.84 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.25 0.91 0.00 0.00 37 H 8.18 4.48 0.00 3.32 3.38 0.00 5.77 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.08 3.86 0.00 1.84 1.84 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.25 4.88 0.00 2.98 2.73 0.00 0.00 6.79 7.70 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 40 V 8.85 5.01 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 0.78 0.00 0.00 0.87 0.00 0.00 41 V 8.57 4.78 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 0.95 0.00 0.00 0.91 0.00 0.00 42 L 8.86 5.36 0.00 1.52 1.49 0.85 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 43 A 9.01 5.07 1.20 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 0.00 0.00 0.00 0.00 0.00 44 D 8.93 4.40 0.00 2.79 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.45 4.98 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 46 E 9.27 5.12 0.00 2.04 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 0.00 2.48 2.30 0.00 47 M 9.21 4.28 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.57 0.00 48 I 9.04 5.02 1.83 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.71 0.95 0.00 0.00 49 Q 8.86 4.60 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.32 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 50 D 10.04 4.62 0.00 2.87 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 51 G 8.96 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 0.00 0.00 0.00 52 E 7.81 4.72 0.00 2.14 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 2.35 2.20 0.00 53 V 8.31 4.18 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 0.82 0.00 0.00 1.02 0.00 0.00 54 V 8.65 4.49 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 0.74 0.00 0.00 1.02 0.00 0.00 55 K 7.76 4.57 0.00 1.62 1.22 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.44 7.81 56 R 7.94 5.07 0.00 1.66 1.63 0.00 3.25 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.84 0.00 57 Y 9.36 4.81 0.00 2.90 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 58 G 9.09 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.84 5.23 0.00 1.74 1.64 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.43 7.81 60 I 8.68 4.47 1.45 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.00 0.56 0.00 0.00 61 V 8.21 4.53 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.87 0.00 0.00 62 I 8.42 4.26 1.70 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.14 0.80 0.00 0.00 63 R 8.54 4.43 0.00 1.86 1.85 0.00 3.12 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 64 G 9.64 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 65 D 8.14 4.31 0.00 2.63 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 66 N 8.08 4.75 0.00 2.85 2.87 0.00 0.00 6.44 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 V 7.67 4.28 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 0.77 0.00 0.00 0.92 0.00 0.00 68 L 8.96 4.38 0.00 1.64 1.81 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.46 4.62 1.20 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 0.00 0.00 0.00 0.00 0.00 70 I 8.20 5.01 1.83 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 1.21 0.68 0.87 0.00 0.00 71 S 9.13 4.59 0.00 3.80 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 72 P 0.00 4.03 0.00 2.06 2.07 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 73 T 7.85 3.67 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 1.21 0.00 0.00