NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3340 8.1744 110.9433 61.2951 70.5480 173.4123 6 N 4.7426 7.9178 119.8591 53.2305 39.2238 173.3560 7 S 4.4101 8.2259 112.0774 57.6723 64.7768 172.9072 8 D 4.8806 8.5124 121.8482 54.4866 42.5084 174.3292 9 F 5.3199 7.8297 115.5549 55.4137 41.6022 173.8223 10 V 4.5847 8.8477 111.9164 59.5050 35.3948 174.9323 11 V 4.8645 8.7040 123.7206 61.2856 33.9511 174.3952 12 I 4.9549 8.8668 128.3792 59.3623 40.6282 174.0993 13 K 5.0310 9.1257 128.7843 54.3272 34.5468 174.9171 14 A 4.4688 8.9081 130.2303 52.0932 19.2562 177.4730 15 L 4.6704 8.9826 122.1536 54.6587 42.5713 175.8636 16 E 4.6596 7.6651 115.6544 54.9128 32.3692 174.3304 17 D 4.4118 8.3452 119.1026 55.5760 41.3327 176.9038 18 G 3.8629 8.4086 109.6706 45.8182 0.0000 173.8923 19 V 3.8831 7.6074 119.7988 62.8627 32.8913 174.3211 20 N 5.2811 9.1116 125.2048 51.5195 41.2116 173.7565 21 V 4.4694 8.8037 124.8752 61.4628 33.4080 174.1960 22 I 4.5321 8.4834 130.4178 59.3891 39.3130 175.2446 23 G 4.0426 8.7301 115.6054 45.3634 0.0000 172.4503 24 L 5.4236 8.8493 126.5623 53.3543 43.7792 176.4584 25 T 4.5197 8.8879 114.6193 61.9007 69.2102 174.1795 26 R 4.4325 7.9887 126.0824 56.7457 29.7623 175.5648 27 G 3.7467 8.7183 109.7137 44.3473 0.0000 173.9798 28 A 4.1383 8.6217 121.9491 54.1847 18.7680 177.5393 29 D 4.8513 7.2891 112.5048 53.0901 42.6016 176.3098 30 T 4.6893 8.3044 122.9044 61.4841 69.3104 172.7606 31 R 4.6728 8.9748 122.9097 53.8929 33.8318 174.1293 32 F 5.5338 8.5790 117.8275 57.1123 39.3029 176.0265 33 H 4.8780 8.9274 118.5261 56.0840 30.0773 174.0511 34 H 4.9266 7.3758 118.8109 55.0288 33.2207 172.1365 35 S 4.8039 8.1538 118.7683 56.4551 65.5237 172.5247 36 E 4.4269 9.1078 126.6291 54.6303 31.0438 174.6623 37 K 4.8355 8.6036 126.8424 55.5721 33.3450 175.9998 38 L 4.9474 8.9208 125.4608 53.0385 44.6499 176.1688 39 D 4.8637 9.6325 123.3878 52.8316 42.9329 175.9232 40 K 3.9910 8.6682 121.9350 58.6272 32.2667 176.9718 41 G 4.0392 9.0565 115.9233 45.1266 0.0000 173.4998 42 E 4.2296 8.0999 119.5689 56.3349 30.7592 176.0794 43 V 4.8786 8.2991 122.0791 60.9907 34.3608 174.2365 44 L 4.7275 9.0635 129.6157 53.2768 44.8512 174.7908 45 I 4.9273 8.4981 126.7165 59.6006 39.0934 174.8178 46 A 4.6859 8.8500 128.9697 50.1167 21.9285 175.3098 47 Q 4.8016 8.6569 121.1036 55.0609 30.3327 175.8667 48 F 4.6560 8.5283 120.7686 57.9993 38.8048 175.0615 49 T 4.7266 8.8767 111.5311 59.8833 72.0633 173.9577 50 E 4.1447 8.9571 121.2954 59.4544 29.5832 177.2964 51 H 4.5752 7.8082 114.4574 56.2812 29.8764 174.3009 52 T 5.3435 7.9948 116.6495 61.9280 71.2313 174.4092 53 S 4.9683 9.0401 119.7701 58.0327 64.8574 173.4339 54 A 5.2062 7.9206 121.3599 51.1401 22.6731 175.1574 55 I 4.9511 8.4742 120.0889 59.4152 40.8043 174.6354 56 K 4.5740 8.9389 128.3779 54.5012 34.6275 174.6871 57 V 4.7682 8.3939 126.6390 61.1560 33.7121 174.5230 58 R 4.5238 9.0651 127.0001 55.5119 32.9521 175.9359 59 G 4.0782 9.0038 108.9223 43.9249 0.0000 172.2188 60 K 4.5539 9.3664 120.5245 56.0150 32.9964 175.6368 61 A 5.0870 8.8102 127.7419 51.0334 23.3853 173.7337 62 Y 4.9699 9.0577 121.7379 56.0315 41.1112 174.5824 63 I 4.9032 8.2785 127.1503 59.4992 40.9017 174.2499 64 Q 4.9389 8.9485 126.2163 54.2795 31.6915 174.9337 65 T 4.7646 8.5348 112.8389 59.4962 72.5023 174.6559 66 R 3.7525 8.5466 120.7490 59.3754 29.8793 176.4533 67 H 4.7084 8.4565 112.6361 55.1262 29.4526 174.2462 68 G 3.7370 6.7873 106.5941 44.1508 0.0000 173.1962 69 V 4.7561 7.8748 112.5430 60.0199 34.4491 175.1910 70 I 4.5061 8.1648 121.3487 60.1221 41.8940 172.8905 71 E 5.3000 8.6724 125.9594 54.5482 32.3253 176.0153 72 S 4.6693 8.8824 118.8435 57.7676 65.2953 172.8041 73 E 4.8993 8.6838 119.6336 54.5296 32.7993 176.4061 74 G 3.7265 8.6276 110.6124 45.7316 0.0000 173.4707 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 4.33 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 7.92 4.74 0.00 2.80 2.85 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 8.23 4.41 0.00 4.13 3.95 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 8 D 8.51 4.88 0.00 2.79 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 9 F 7.83 5.32 0.00 2.98 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 10 V 8.85 4.58 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 0.57 0.00 0.00 0.80 0.00 0.00 11 V 8.70 4.86 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 1.13 0.00 0.00 1.17 0.00 0.00 12 I 8.87 4.95 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 0.64 0.90 0.00 0.00 13 K 9.13 5.03 0.00 1.90 1.81 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.39 7.81 14 A 8.91 4.47 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.98 4.67 0.00 1.64 1.72 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.67 4.66 0.00 2.02 1.89 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 2.19 2.33 0.00 17 D 8.35 4.41 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 8.41 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.61 3.88 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 0.98 0.00 0.00 1.02 0.00 0.00 20 N 9.11 5.28 0.00 2.62 2.59 0.00 0.00 6.25 8.50 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 21 V 8.80 4.47 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 0.92 0.00 0.00 0.89 0.00 0.00 22 I 8.48 4.53 1.39 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.29 -0.44 0.00 0.00 23 G 8.73 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 24 L 8.85 5.42 0.00 1.87 1.73 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.89 4.52 4.31 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 1.42 0.00 0.00 26 R 7.99 4.43 0.00 1.90 1.97 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 8.72 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 28 A 8.62 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 7.29 4.85 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 4.69 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 1.28 0.00 0.00 31 R 8.97 4.67 0.00 1.79 1.99 0.00 2.78 0.00 0.00 3.48 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 32 F 8.58 5.53 0.00 2.92 2.88 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 0.00 0.00 0.00 33 H 8.93 4.88 0.00 3.27 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.38 4.93 0.00 3.27 3.07 0.00 5.80 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.15 4.80 0.00 3.62 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 36 E 9.11 4.43 0.00 2.11 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 37 K 8.60 4.84 0.00 1.64 1.71 0.00 1.58 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.39 1.50 7.81 38 L 8.92 4.95 0.00 1.52 1.53 0.91 0.86 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 9.63 4.86 0.00 2.55 2.58 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 40 K 8.67 3.99 0.00 1.75 1.75 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.41 7.81 41 G 9.06 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 42 E 8.10 4.23 0.00 2.06 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 2.26 0.00 43 V 8.30 4.88 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 0.81 0.00 0.00 0.96 0.00 0.00 44 L 9.06 4.73 0.00 1.73 1.45 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.50 4.93 1.74 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.75 0.66 0.00 0.00 46 A 8.85 4.69 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 8.66 4.80 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 48 F 8.53 4.66 0.00 3.03 2.96 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 0.00 0.00 0.00 49 T 8.88 4.73 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 1.29 0.00 0.00 50 E 8.96 4.14 0.00 1.92 1.98 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 2.02 2.27 0.00 51 H 7.81 4.58 0.00 3.40 3.17 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 7.99 5.34 4.36 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 0.00 0.00 0.00 1.36 0.00 0.00 53 S 9.04 4.97 0.00 3.84 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 54 A 7.92 5.21 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 8.47 4.95 1.86 0.00 0.00 0.38 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 0.68 0.83 0.00 0.00 56 K 8.94 4.57 0.00 1.80 1.49 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.37 7.81 57 V 8.39 4.77 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 0.89 0.00 0.00 58 R 9.07 4.52 0.00 1.73 1.77 0.00 3.13 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 1.51 0.00 59 G 9.00 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 60 K 9.37 4.55 0.00 1.83 1.71 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.42 7.81 61 A 8.81 5.09 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 62 Y 9.06 4.97 0.00 3.03 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 63 I 8.28 4.90 1.84 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 1.17 0.50 0.87 0.00 0.00 64 Q 8.95 4.94 0.00 1.91 1.90 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 2.02 0.00 65 T 8.53 4.76 4.13 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 0.00 0.00 0.00 1.15 0.00 0.00 66 R 8.55 3.75 0.00 1.66 1.74 0.00 3.13 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 67 H 8.46 4.71 0.00 3.17 3.27 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 6.79 3.74 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 0.00 0.00 0.00 69 V 7.87 4.76 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 0.70 0.00 0.00 0.98 0.00 0.00 70 I 8.16 4.51 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 1.21 1.27 0.85 0.00 0.00 71 E 8.67 5.30 0.00 1.91 1.87 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 2.56 2.52 0.00 72 S 8.88 4.67 0.00 3.90 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 8.68 4.90 0.00 1.83 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 74 G 8.63 3.73 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 0.00 0.00 0.00