NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 P 4.3720 0.0000 0.0000 61.8969 33.0896 175.3884 7 R 4.3435 7.7333 118.6871 52.8173 32.4181 172.8604 8 I 4.2166 8.4992 119.5016 60.2862 39.8515 174.6770 9 T 4.5836 8.1624 116.9704 60.8018 70.2881 172.5045 10 A 4.6854 8.1620 129.8193 50.5776 22.2638 176.0187 11 R 4.1453 8.5360 121.3818 56.1308 30.8688 176.6716 12 V 4.4416 8.1669 115.1092 59.3650 34.7647 175.7775 13 D 4.7823 8.1646 123.2418 51.8728 42.8286 177.4683 14 V 3.5642 8.1444 117.4547 66.5906 31.4980 177.5936 15 D 4.3817 8.0273 117.9486 57.5578 40.6709 178.8458 16 T 3.9101 8.0111 115.9029 66.4656 68.4606 176.5438 17 Q 3.9475 8.1364 121.5235 59.4723 28.8853 178.3218 18 D 4.3046 8.0701 119.6319 57.2693 40.8503 178.6694 19 L 3.8711 7.7522 120.3528 58.2887 42.0884 179.1015 20 L 3.7400 8.3421 119.0650 57.3645 41.4958 179.3569 21 A 3.8897 8.1874 121.3060 54.7336 18.3162 179.6570 22 K 3.7911 7.7760 117.8633 59.5415 32.2295 178.9785 23 A 3.8021 7.7155 120.8680 55.0052 17.9678 179.4617 24 A 3.8668 7.5387 118.3623 54.9663 18.6993 179.4421 25 A 4.0577 8.0027 119.2669 55.4708 18.3184 179.8081 26 L 3.9619 7.6766 115.6932 57.7948 41.8022 178.9495 27 A 4.4683 8.1808 117.6849 51.1903 19.6485 176.3609 28 G 3.5590 7.6704 109.2665 45.9991 0.0000 174.2131 *30 S 4.4715 7.9339 115.5688 57.8403 65.6212 175.4753 31 S 4.7782 7.5315 115.5163 55.6607 67.1807 174.5127 32 I 3.7354 8.3378 124.2995 64.8772 36.9752 178.1685 33 N 4.3361 8.2982 116.6054 56.6235 38.4531 177.4001 34 S 4.0992 8.0513 116.0178 61.5490 62.9250 176.2072 35 F 3.9417 8.1187 123.2276 61.4234 39.0680 177.3352 36 V 3.5237 8.3063 117.8276 65.8820 31.3912 177.4706 37 L 3.8757 7.8510 119.9723 58.2531 41.9116 178.4116 38 N 4.1340 7.9172 116.2693 56.7216 39.0143 176.4144 39 A 3.7367 7.8338 122.2000 55.1754 18.1911 179.5490 40 A 3.9221 7.8526 119.0737 55.2486 18.5003 180.0036 41 I 3.6189 7.6860 118.4213 64.3174 37.1834 178.2809 42 E 3.8686 8.0302 120.1589 59.1907 29.4342 178.7686 43 K 3.8965 7.9220 119.1410 59.2685 32.2332 178.3914 44 A 3.9657 8.2292 121.3442 55.3578 18.3567 179.6490 45 K 3.8757 8.1064 116.7719 59.8933 32.1085 179.6379 46 Q 4.0086 8.0983 118.2350 58.7573 28.7311 178.8901 47 V 3.5869 8.1460 119.7237 65.9699 31.4721 178.2091 48 I 3.6835 7.8264 119.5307 64.3923 36.9055 178.0001 49 E 3.9131 8.2272 120.1250 59.2494 29.3470 178.7032 50 R 3.8499 8.0927 118.7213 59.4134 30.0045 178.1070 51 E 3.9015 8.0849 118.6603 59.4339 29.6952 178.7127 52 Q 3.9857 7.8946 117.7381 59.0657 28.8741 178.8827 53 A 4.0501 8.3313 121.9293 55.0226 18.1632 179.7002 54 L 4.0699 7.9557 118.5098 57.1106 42.0143 179.5593 55 K 4.1053 7.8603 118.2861 59.6707 32.2037 179.4805 56 L 4.0961 7.7974 118.7050 57.4357 41.6161 179.2382 57 S 4.3755 8.0652 112.8997 60.0220 63.2759 175.2136 58 Q 4.4991 7.8058 120.5445 55.9099 28.9370 176.9504 59 A 4.0230 7.7481 123.9570 55.0967 18.3028 179.3761 60 D 4.2925 8.1696 116.9115 56.8788 39.0753 178.7844 61 A 3.9538 7.8738 120.6262 54.4518 18.5096 179.1749 62 V 3.6710 7.4589 115.7141 66.1640 31.8710 177.7419 63 L 4.1455 7.8403 119.8188 57.8417 41.9016 179.2920 64 L 4.1786 8.0057 117.6044 55.7721 41.7756 178.3097 *66 E 4.1947 8.1682 117.9367 55.9238 31.1369 178.1082 67 A 3.9792 8.1877 121.4416 55.2089 18.6635 179.4614 68 L 4.0348 8.3022 115.1033 58.2109 41.9785 178.8357 69 D 4.5126 8.1405 116.8962 56.9253 41.6204 176.6275 70 N 5.0453 8.2787 115.3491 49.9653 39.2569 172.9822 71 P 4.3812 0.0000 0.0000 64.9496 31.9815 178.1827 72 A 3.9756 7.9108 118.9633 55.0515 18.3163 179.7575 73 V 3.5357 7.6736 116.3945 65.9956 31.7602 178.2989 74 V 3.5821 7.9098 118.0389 66.1262 31.3825 177.6960 75 N 4.3277 8.5042 116.3053 56.2628 38.3053 177.2245 76 A 3.9895 8.1778 122.1302 55.1044 18.5481 179.8099 77 K 3.9065 8.4533 117.4091 59.7061 31.9112 179.6394 78 L 4.0577 7.8117 118.1126 57.6390 41.4323 179.4267 79 K 4.1581 8.0235 118.6720 59.1932 31.8208 179.3764 80 L 4.1908 8.1902 119.3077 57.8402 41.3458 179.4480 81 A 4.0681 7.7651 119.2371 54.2566 18.3827 178.0391 82 S 4.7083 7.4893 110.8284 58.5490 64.7934 174.2238 83 E 4.2180 7.8246 127.6692 57.9144 30.5426 175.3154 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 6 P 0.00 4.37 0.00 2.19 2.22 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 7 R 7.73 4.34 0.00 1.79 1.80 0.00 3.28 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.74 0.00 8 I 8.50 4.22 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 0.74 0.91 0.00 0.00 9 T 8.16 4.58 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 10 A 8.16 4.69 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.54 4.15 0.00 1.82 1.88 0.00 3.15 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 12 V 8.17 4.44 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 0.79 0.00 0.00 0.94 0.00 0.00 13 D 8.16 4.78 0.00 2.86 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.14 3.56 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 1.05 0.00 0.00 0.93 0.00 0.00 15 D 8.03 4.38 0.00 2.72 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 16 T 8.01 3.91 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 1.23 0.00 0.00 17 Q 8.14 3.95 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 18 D 8.07 4.30 0.00 2.92 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 19 L 7.75 3.87 0.00 1.93 1.85 0.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.34 3.74 0.00 1.63 1.62 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.19 3.89 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 22 K 7.78 3.79 0.00 1.80 1.86 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.40 7.81 23 A 7.72 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.54 3.87 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 25 A 8.00 4.06 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.68 3.96 0.00 1.76 1.75 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.18 4.47 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.67 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *30 S 7.93 4.47 0.00 4.03 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 31 S 7.53 4.78 0.00 4.03 3.96 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 32 I 8.34 3.74 1.90 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 1.61 0.61 0.96 0.00 0.00 33 N 8.30 4.34 0.00 2.75 2.90 0.00 0.00 7.09 7.57 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 34 S 8.05 4.10 0.00 4.03 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 35 F 8.12 3.94 0.00 3.24 3.32 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 36 V 8.31 3.52 2.26 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 0.96 0.00 0.00 1.13 0.00 0.00 37 L 7.85 3.88 0.00 1.79 1.63 0.90 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 38 N 7.92 4.13 0.00 2.74 2.80 0.00 0.00 7.16 8.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.83 3.74 0.96 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 0.00 0.00 40 A 7.85 3.92 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.69 3.62 1.82 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 1.38 0.77 0.88 0.00 0.00 42 E 8.03 3.87 0.00 2.10 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 2.27 2.28 0.00 43 K 7.92 3.90 0.00 1.98 1.82 0.00 1.58 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.49 7.81 44 A 8.23 3.97 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 45 K 8.11 3.88 0.00 1.97 1.87 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.60 7.81 46 Q 8.10 4.01 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 47 V 8.15 3.59 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 1.03 0.00 0.00 0.95 0.00 0.00 48 I 7.83 3.68 1.93 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 1.40 1.31 0.90 0.00 0.00 49 E 8.23 3.91 0.00 2.10 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 2.30 2.36 0.00 50 R 8.09 3.85 0.00 2.06 2.17 0.00 3.20 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 51 E 8.08 3.90 0.00 2.11 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 0.00 2.30 2.35 0.00 52 Q 7.89 3.99 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 53 A 8.33 4.05 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 54 L 7.96 4.07 0.00 1.83 1.74 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 55 K 7.86 4.11 0.00 2.00 1.85 0.00 1.55 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.53 7.81 56 L 7.80 4.10 0.00 1.69 1.72 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.07 4.38 0.00 4.07 4.21 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.81 4.50 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 59 A 7.75 4.02 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.17 4.29 0.00 2.95 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 61 A 7.87 3.95 1.36 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 0.00 0.00 0.00 62 V 7.46 3.67 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 0.83 0.00 0.00 0.99 0.00 0.00 63 L 7.84 4.15 0.00 1.93 1.85 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.01 4.18 0.00 1.85 1.77 0.92 1.20 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 *66 E 8.17 4.19 0.00 2.23 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 0.00 2.30 2.32 0.00 67 A 8.19 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.30 4.03 0.00 1.59 1.76 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.14 4.51 0.00 2.80 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 70 N 8.28 5.05 0.00 2.67 2.68 0.00 0.00 7.06 8.86 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 71 P 0.00 4.38 0.00 2.15 2.10 0.00 3.87 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 72 A 7.91 3.98 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 73 V 7.67 3.54 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 1.07 0.00 0.00 0.93 0.00 0.00 74 V 7.91 3.58 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 0.98 0.00 0.00 1.02 0.00 0.00 75 N 8.50 4.33 0.00 2.83 2.85 0.00 0.00 6.95 8.29 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 76 A 8.18 3.99 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 77 K 8.45 3.91 0.00 1.94 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.68 7.81 78 L 7.81 4.06 0.00 1.79 1.73 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.02 4.16 0.00 2.04 1.85 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 80 L 8.19 4.19 0.00 1.87 1.72 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 81 A 7.77 4.07 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 82 S 7.49 4.71 0.00 4.08 3.96 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 83 E 7.82 4.22 0.00 2.07 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 0.00 2.24 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.