NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9318 8.3549 109.7368 45.2453 0.0000 174.8504 3 K 3.9530 8.5995 117.3355 54.8407 33.9144 171.2284 4 V 4.4833 8.6286 121.9181 61.4485 35.5080 173.5577 5 Y 5.0010 8.8910 124.5236 56.1935 40.7871 174.7166 6 K 4.4998 8.1702 122.5077 54.5049 35.2599 174.7784 7 K 4.9942 8.4637 125.0634 54.6446 34.5398 175.7302 8 V 4.4525 8.5775 123.3559 61.0619 35.1127 173.7265 9 E 5.0097 8.8953 128.5100 55.0977 30.3001 174.7646 10 L 4.8545 8.9546 127.2362 52.8489 45.7259 176.0734 11 V 4.6069 8.3072 120.5711 61.1959 33.3781 174.9424 12 G 4.5404 8.9921 116.6627 45.0603 0.0000 171.7080 13 T 5.3707 8.1844 113.7048 60.1917 72.0466 173.0703 14 S 4.6726 8.7488 115.3806 57.9445 65.9155 175.3214 15 E 4.6827 9.0301 124.1830 57.6317 30.1445 177.6122 16 E 4.1912 8.2944 118.6112 57.7094 30.2382 176.3822 17 G 3.3929 7.1574 104.7565 44.1322 0.0000 173.6243 18 L 3.7439 7.3048 118.1400 57.8380 41.4643 179.3512 19 E 3.8975 8.0764 117.7683 59.5784 29.4269 179.2911 20 A 3.9195 7.8769 119.8561 54.8355 18.4930 179.4568 21 A 3.9286 7.7855 119.2974 55.3394 18.4822 179.8928 22 I 3.4939 7.6585 118.3068 64.7168 37.0917 178.7949 23 Q 3.9071 8.2738 118.7571 58.5679 28.5259 178.6915 24 A 3.9080 8.0373 121.7370 55.0473 18.4791 179.4575 25 A 3.8858 7.8334 118.6856 55.4825 18.5498 179.7885 26 L 3.8873 7.8164 117.2094 57.6831 41.3934 179.6036 27 A 3.9826 8.0414 120.5309 54.9668 18.3123 179.3842 28 R 3.9298 7.9134 116.7019 59.3272 30.1700 178.4387 29 A 3.8890 7.9876 120.6605 55.2624 18.1515 179.6399 30 R 3.9759 7.7850 115.8280 59.2215 30.1395 178.6052 31 K 4.1175 7.6229 117.5629 58.7918 32.0092 177.8340 32 T 4.4113 7.6818 112.9137 63.3291 71.1781 173.9376 33 L 4.4765 7.9966 120.2049 52.7439 43.6382 175.9378 34 R 4.5041 7.9277 120.1099 55.5275 33.0084 174.9401 35 H 4.1753 8.4607 113.4256 56.8072 26.1366 175.2325 36 L 4.5012 8.1264 118.7773 55.4479 42.1318 175.5360 37 D 5.2120 9.2598 122.3815 55.1502 42.9839 176.2362 38 W 5.5792 7.9343 113.3708 54.8800 32.2245 172.9021 39 F 5.4342 8.4913 114.0641 55.3350 41.1678 173.8637 40 E 4.7027 9.3701 118.7498 54.7344 33.4507 174.9414 41 V 4.2351 8.7088 125.3143 62.9266 31.7186 175.4800 42 K 4.5126 9.2697 128.5988 58.4757 33.0861 176.7874 43 E 4.7951 7.8897 115.1805 55.3304 33.0046 173.9754 44 I 4.8660 8.3529 121.3291 59.9815 39.5717 174.9628 45 R 4.7511 9.3889 126.2309 54.9439 34.7243 174.1730 46 G 4.3086 7.8211 106.8739 47.2375 0.0000 172.0169 47 T 4.8069 7.8098 109.7729 59.8484 71.9135 173.3943 48 I 4.7410 8.2587 122.6259 59.7996 39.9297 175.3642 49 G 4.3357 8.8766 116.1318 43.7724 0.0000 172.7413 50 E 3.9036 8.8941 115.7578 58.5782 29.7683 177.2792 51 A 4.6322 8.0415 120.8061 51.7810 20.5341 176.5464 52 G 4.0062 7.4820 107.7404 45.1946 0.0000 176.4528 53 V 3.7893 8.2170 124.4471 63.0242 31.8192 174.4861 54 K 4.3386 8.6276 128.1192 57.5786 33.7052 176.0451 55 E 4.7235 7.5548 120.1897 54.6436 33.0715 173.6850 56 Y 4.5902 9.3081 125.6490 57.9184 39.7301 174.9317 57 Q 4.8418 9.3495 122.0987 54.3701 32.4933 174.5093 58 V 4.5315 8.7515 126.3121 61.2045 33.1035 174.9749 59 V 4.3832 8.6447 129.7171 62.5040 32.8072 174.6340 60 L 5.2117 9.0789 129.2334 53.5926 45.9798 174.2565 61 E 5.0472 9.6556 125.8132 54.7469 31.9930 174.8657 62 V 4.5235 8.9216 125.1990 60.9747 34.0761 174.2719 63 G 3.2408 8.1725 115.8906 43.9037 0.0000 172.2802 64 F 5.6471 8.3770 118.6999 54.8839 41.9379 173.7164 65 R 4.0917 8.8601 122.0204 56.0887 30.4722 176.0631 66 L 4.3613 8.2929 127.1710 54.5991 42.4350 177.1747 67 E 4.0367 8.7175 122.8288 56.3372 30.6081 172.1153 68 E 3.4836 8.5970 129.2216 56.7805 27.9088 174.7124 *69 T 4.1630 8.2911 116.9285 60.9914 69.2274 170.9426 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 2 G 8.35 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 0.00 0.00 0.00 3 K 8.60 3.95 0.00 1.79 1.40 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.49 7.81 4 V 8.63 4.48 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 1.08 0.00 0.00 0.91 0.00 0.00 5 Y 8.89 5.00 0.00 2.99 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 6 K 8.17 4.50 0.00 1.47 0.74 0.00 1.58 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.16 1.27 7.81 7 K 8.46 4.99 0.00 1.64 1.65 0.00 2.07 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.12 1.35 7.81 8 V 8.58 4.45 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 1.01 0.00 0.00 1.10 0.00 0.00 9 E 8.90 5.01 0.00 2.03 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 2.23 2.46 0.00 10 L 8.95 4.85 0.00 1.56 1.49 0.87 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.31 4.61 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 0.81 0.00 0.00 0.94 0.00 0.00 12 G 8.99 4.54 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 0.00 0.00 0.00 13 T 8.18 5.37 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 1.22 0.00 0.00 14 S 8.75 4.67 0.00 3.91 3.90 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 15 E 9.03 4.68 0.00 2.03 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 2.41 2.34 0.00 16 E 8.29 4.19 0.00 1.98 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 2.34 2.40 0.00 17 G 7.16 3.39 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 0.00 18 L 7.30 3.74 0.00 1.54 1.63 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.08 3.90 0.00 1.98 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 2.39 2.43 0.00 20 A 7.88 3.92 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 21 A 7.79 3.93 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.66 3.49 1.87 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 1.41 0.59 0.38 0.00 0.00 23 Q 8.27 3.91 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 24 A 8.04 3.91 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 25 A 7.83 3.89 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 26 L 7.82 3.89 0.00 1.60 1.63 0.55 0.73 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 27 A 8.04 3.98 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 28 R 7.91 3.93 0.00 1.92 2.04 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 7.99 3.89 1.28 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 30 R 7.78 3.98 0.00 1.88 2.09 0.00 3.25 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 31 K 7.62 4.12 0.00 1.90 1.82 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.64 7.81 32 T 7.68 4.41 4.16 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 0.00 0.00 0.00 1.10 0.00 0.00 33 L 8.00 4.48 0.00 1.29 0.79 0.36 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.93 4.50 0.00 1.67 1.48 0.00 3.28 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 35 H 8.46 4.18 0.00 3.65 3.49 0.00 5.62 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.13 4.50 0.00 1.67 1.66 0.83 0.95 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 37 D 9.26 5.21 0.00 3.11 3.09 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 0.00 0.00 0.00 0.00 38 W 7.93 5.58 0.00 3.26 3.20 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 39 F 8.49 5.43 0.00 3.03 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 40 E 9.37 4.70 0.00 1.97 1.93 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 2.43 2.51 0.00 41 V 8.71 4.24 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 0.84 0.00 0.00 1.14 0.00 0.00 42 K 9.27 4.51 0.00 1.79 1.87 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.56 7.81 43 E 7.89 4.80 0.00 2.02 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 2.29 2.36 0.00 44 I 8.35 4.87 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.72 1.00 0.00 0.00 45 R 9.39 4.75 0.00 1.71 1.82 0.00 3.42 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 46 G 7.82 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 0.00 0.00 0.00 0.00 47 T 7.81 4.81 4.20 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 1.18 0.00 0.00 48 I 8.26 4.74 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 1.22 0.63 0.93 0.00 0.00 49 G 8.88 4.34 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 0.00 50 E 8.89 3.90 0.00 2.08 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 0.00 2.26 2.30 0.00 51 A 8.04 4.63 1.27 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 0.00 0.00 0.00 52 G 7.48 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.22 3.79 1.82 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 -0.33 0.00 0.00 0.73 0.00 0.00 54 K 8.63 4.34 0.00 1.81 1.82 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.32 7.81 55 E 7.55 4.72 0.00 2.13 1.67 0.00 0.00 0.00 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 2.29 0.00 56 Y 9.31 4.59 0.00 3.08 2.84 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 57 Q 9.35 4.84 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 58 V 8.75 4.53 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 0.94 0.00 0.00 0.95 0.00 0.00 59 V 8.64 4.38 2.11 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 0.87 0.00 0.00 0.95 0.00 0.00 60 L 9.08 5.21 0.00 1.89 1.53 1.02 0.92 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 61 E 9.66 5.05 0.00 1.95 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 2.25 2.25 0.00 62 V 8.92 4.52 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 0.95 0.00 0.00 0.90 0.00 0.00 63 G 8.17 3.24 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 0.00 0.00 0.00 0.00 64 F 8.38 5.65 0.00 3.35 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 65 R 8.86 4.09 0.00 1.92 1.90 0.00 3.01 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.98 0.00 66 L 8.29 4.36 0.00 1.61 1.56 0.86 0.87 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 67 E 8.72 4.04 0.00 2.00 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 2.36 2.41 0.00 68 E 8.60 3.48 0.00 2.12 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 0.00 2.16 2.23 0.00 *69 T 8.29 4.16 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 * Residues marked with a * may have inaccurate shift predictions.