NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3009 8.4449 118.7952 56.0390 31.1361 175.5197 4 R 4.0677 8.2030 121.5977 54.4480 31.3314 175.0280 5 P 4.1703 0.0000 0.0000 66.1943 32.1870 178.4820 6 L 3.8566 7.8480 117.9740 57.9454 41.9105 178.6595 7 D 4.2994 8.0413 119.1970 57.2925 40.5682 178.7502 8 V 3.5466 7.6168 117.0495 65.8924 31.8402 177.7712 9 I 3.6794 7.5683 119.5498 64.5561 37.0687 177.7181 10 H 4.0644 8.1607 119.4399 59.4270 29.4602 177.1725 11 R 4.0132 8.0194 118.8742 58.7300 30.2357 177.6457 12 S 4.4048 7.8981 113.5630 57.9417 63.2198 173.9881 13 L 4.3398 7.0326 122.0436 56.3705 41.8500 176.5593 14 D 4.4197 9.3970 120.2444 54.7371 40.6303 173.0141 15 K 4.7569 7.7538 116.2376 54.2751 36.1396 174.6799 16 D 5.0775 8.4676 121.3664 54.4707 42.6694 175.4192 17 V 4.9671 8.9576 117.8431 59.6929 36.8495 173.7109 18 L 5.0054 8.9582 125.7411 53.5170 44.1707 175.2149 19 V 4.5913 9.2008 127.3001 61.3341 33.5102 174.2925 20 I 4.3611 8.6065 130.5931 60.5111 38.1157 175.2743 21 L 4.8592 8.1286 127.5315 52.0710 43.6145 177.6273 22 K 4.5211 7.7377 122.3273 56.4987 28.8784 176.7136 23 K 4.6550 7.9508 116.1512 57.6252 38.5275 176.6320 24 G 3.5007 6.8787 109.5849 44.8212 0.0000 173.2309 25 F 5.2277 8.2539 115.9591 55.1510 41.3696 173.9974 26 E 5.1535 9.2540 116.9458 54.8592 33.8339 173.9423 27 F 5.3686 9.2485 117.5262 55.7856 42.9366 174.7512 28 R 5.0603 8.8642 121.2037 54.4979 33.9796 175.2404 29 G 4.0479 8.1468 108.2852 46.3944 0.0000 171.0860 30 R 4.8605 7.8669 120.7907 54.9287 31.5286 175.8270 31 L 4.7040 8.8673 129.9169 55.3119 42.7058 176.7442 32 I 4.5302 8.3297 119.2586 60.1856 38.8333 175.2172 33 G 4.0975 7.6474 108.8279 46.5948 0.0000 171.6344 34 Y 5.6206 7.8862 117.3523 57.5317 40.7189 171.9538 35 D 4.7951 8.2403 118.1092 51.5017 42.6724 175.8330 36 I 3.7677 8.2641 118.0831 63.8667 37.8897 175.8654 37 H 4.6581 8.2848 115.5365 55.3750 28.4718 175.0486 38 L 3.7504 8.0423 119.0925 55.7750 39.5615 173.6094 39 N 4.9487 8.3105 115.6725 53.2674 39.9897 174.7882 40 V 5.0228 8.8125 115.5341 59.5131 36.4727 174.5106 41 V 4.8340 8.6422 121.5115 61.2072 34.2937 174.3570 42 L 5.3643 8.9877 127.0018 52.9093 45.4636 175.1484 43 A 4.9889 8.9376 123.4266 50.8401 21.8337 175.9784 44 D 4.4860 8.0740 118.1715 55.3106 38.9061 173.0303 45 A 5.1304 8.5473 122.7808 50.6139 22.7733 177.0395 46 E 5.1493 9.2288 118.4534 54.7799 33.3843 174.9975 47 M 4.3805 9.0654 125.3266 55.0373 33.8917 174.7346 48 I 4.9430 9.0368 127.4238 59.6157 40.3534 174.4323 49 Q 4.7420 8.6545 125.8795 54.3050 31.7311 175.6734 50 D 4.3509 9.2819 124.6166 56.5177 38.3129 173.4691 51 G 4.0769 7.9814 98.7758 45.8468 0.0000 173.0223 52 E 4.5218 7.8860 117.8329 54.2774 33.6621 175.6134 53 V 4.1495 8.4926 124.2985 63.4703 32.0474 175.6245 54 V 4.4355 8.3986 118.7812 61.6694 34.3587 175.7602 55 K 4.5501 7.6796 117.4443 55.1332 36.6821 175.1040 56 R 5.0532 7.9332 119.8652 54.6720 33.8481 174.5292 57 Y 4.7967 9.1404 119.8472 56.1683 41.6612 176.9704 58 G 3.6999 9.0857 110.1697 48.8760 0.0000 173.0635 59 K 5.0598 7.9146 117.4826 55.8182 35.1181 174.3142 60 I 4.4232 8.4658 126.2385 59.7322 41.9527 173.1986 61 V 4.5250 8.2526 129.1124 61.5262 32.8089 174.6018 62 I 4.2808 8.4879 129.4540 59.1974 39.0553 175.6293 63 R 4.4093 8.5010 126.7465 55.8349 30.8052 178.1428 64 G 3.7139 9.4235 111.8190 47.8198 0.0000 175.1158 65 D 4.4104 8.1846 118.6095 56.8284 41.3556 176.4867 66 N 4.7425 7.8084 113.4944 52.7492 39.1662 174.5182 67 V 4.0298 7.8054 120.1452 62.4691 32.3391 175.2783 68 L 4.3662 8.9739 129.7483 57.3606 42.7591 176.1022 69 A 4.6208 7.4313 117.3446 51.2432 22.6894 174.9812 70 I 5.0134 8.1845 119.0084 59.6865 41.0655 175.1260 71 S 4.6585 9.0272 120.7477 55.7831 65.6727 171.2569 72 P 4.7871 0.0000 0.0000 62.3228 32.0351 176.4835 73 T 4.1199 8.6734 120.2965 64.2026 68.0927 173.9243 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 4.30 0.00 2.08 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 2.16 2.33 0.00 4 R 8.20 4.07 0.00 2.03 1.86 0.00 3.15 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 5 P 0.00 4.17 0.00 2.11 2.10 0.00 3.58 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 6 L 7.85 3.86 0.00 1.66 1.62 0.96 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.04 4.30 0.00 2.91 2.68 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 8 V 7.62 3.55 2.17 0.00 0.00 0.00 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 0.90 0.00 0.00 9 I 7.57 3.68 1.49 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.81 0.33 0.00 0.00 10 H 8.16 4.06 0.00 3.28 3.44 0.00 5.78 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 11 R 8.02 4.01 0.00 2.00 2.03 0.00 3.37 0.00 0.00 3.24 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 12 S 7.90 4.40 0.00 4.03 3.85 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 13 L 7.03 4.34 0.00 1.65 1.63 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 14 D 9.40 4.42 0.00 2.76 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 15 K 7.75 4.76 0.00 1.92 1.66 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.54 7.81 16 D 8.47 5.08 0.00 2.74 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 8.96 4.97 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 0.77 0.00 0.00 0.97 0.00 0.00 18 L 8.96 5.01 0.00 1.74 1.52 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.20 4.59 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 0.98 0.00 0.00 0.94 0.00 0.00 20 I 8.61 4.36 1.84 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 0.39 0.87 0.00 0.00 21 L 8.13 4.86 0.00 1.18 1.12 0.90 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.74 4.52 0.00 1.76 1.85 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.67 1.43 7.81 23 K 7.95 4.66 0.00 1.93 2.14 0.00 1.87 0.00 0.00 1.84 0.00 0.00 3.39 0.00 0.00 3.51 0.00 0.00 0.00 0.00 1.44 1.61 7.81 24 G 6.88 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 5.23 0.00 3.15 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 26 E 9.25 5.15 0.00 2.02 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 2.27 2.26 0.00 27 F 9.25 5.37 0.00 2.98 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 28 R 8.86 5.06 0.00 1.79 1.82 0.00 3.36 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 29 G 8.15 4.05 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 0.00 0.00 0.00 30 R 7.87 4.86 0.00 1.96 1.84 0.00 3.39 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 31 L 8.87 4.70 0.00 1.84 1.74 1.09 0.65 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 32 I 8.33 4.53 1.87 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 1.30 0.85 0.92 0.00 0.00 33 G 7.65 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 34 Y 7.89 5.62 0.00 2.90 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 35 D 8.24 4.80 0.00 2.82 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 8.26 3.77 1.84 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 0.81 0.66 0.00 0.00 37 H 8.28 4.66 0.00 3.30 3.30 0.00 5.81 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.04 3.75 0.00 1.91 1.78 0.90 0.39 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 39 N 8.31 4.95 0.00 2.91 2.72 0.00 0.00 6.77 7.68 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 40 V 8.81 5.02 2.10 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 0.75 0.00 0.00 0.87 0.00 0.00 41 V 8.64 4.83 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 1.03 0.00 0.00 0.90 0.00 0.00 42 L 8.99 5.36 0.00 1.58 1.54 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.94 4.99 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 4.49 0.00 2.81 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 45 A 8.55 5.13 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.23 5.15 0.00 1.93 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 2.23 2.27 0.00 47 M 9.07 4.38 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.39 0.00 48 I 9.04 4.94 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.75 0.93 0.00 0.00 49 Q 8.65 4.74 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.29 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 50 D 9.28 4.35 0.00 2.78 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 51 G 7.98 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 0.00 0.00 0.00 52 E 7.89 4.52 0.00 2.11 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 53 V 8.49 4.15 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 0.77 0.00 0.00 0.97 0.00 0.00 54 V 8.40 4.44 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 0.78 0.00 0.00 0.90 0.00 0.00 55 K 7.68 4.55 0.00 1.54 1.17 0.00 1.68 0.00 0.00 1.93 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.41 7.81 56 R 7.93 5.05 0.00 1.51 1.71 0.00 3.10 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 57 Y 9.14 4.80 0.00 2.95 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 58 G 9.09 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 59 K 7.91 5.06 0.00 1.75 1.65 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.24 1.48 7.81 60 I 8.47 4.42 1.58 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.00 0.70 0.00 0.00 61 V 8.25 4.52 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 0.84 0.00 0.00 0.88 0.00 0.00 62 I 8.49 4.28 1.66 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.19 0.67 0.00 0.00 63 R 8.50 4.41 0.00 1.84 1.83 0.00 3.11 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 1.58 0.00 64 G 9.42 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.18 4.41 0.00 2.62 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 7.81 4.74 0.00 2.81 2.81 0.00 0.00 6.52 7.56 0.00 0.00 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 7.81 4.03 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 0.74 0.00 0.00 0.89 0.00 0.00 68 L 8.97 4.37 0.00 1.59 1.83 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.43 4.62 1.19 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 0.00 0.00 70 I 8.18 5.01 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 1.21 0.68 0.89 0.00 0.00 71 S 9.03 4.66 0.00 3.83 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 4.79 0.00 1.97 1.96 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 73 T 8.67 4.12 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