NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 P 4.3904 0.0000 0.0000 63.0735 33.4637 176.2156 11 P 3.7123 0.0000 0.0000 58.6573 32.5448 174.0019 12 A 4.1226 9.1659 125.8414 52.4551 20.0636 176.1442 13 L 4.5487 8.1142 118.8263 53.7669 43.7489 175.7229 14 H 5.1848 8.3866 120.1789 53.8409 31.4540 173.4357 15 L 4.4311 9.0360 127.8476 53.9473 42.6290 176.0293 16 V 4.0159 8.8380 128.6254 62.6501 31.9844 175.4453 17 D 4.5105 8.8253 128.3927 53.0124 41.9689 176.4322 18 P 4.2882 0.0000 0.0000 66.1373 31.5592 178.5294 19 Q 3.9684 7.6766 114.9471 58.4033 28.7715 177.6894 20 I 4.5542 7.5347 118.6217 59.0902 39.5227 174.7147 21 Q 4.7113 8.2851 122.6423 54.2984 33.1015 174.2468 22 L 4.5326 8.7004 123.5999 55.2427 43.9364 175.6014 23 T 5.3978 8.2775 117.9781 62.1260 72.5480 173.4574 24 I 4.5895 8.1901 125.6328 60.5635 40.8290 177.9676 25 T 3.4398 7.6702 115.0265 62.3218 66.1234 170.7291 *39 D 4.3551 7.9524 127.2123 54.2360 42.3859 174.3260 40 P 4.1046 0.0000 0.0000 62.8761 32.0184 175.1069 41 K 4.2302 10.7800 119.8540 56.5267 33.9542 175.6740 42 V 5.5156 7.9424 124.2539 60.1354 34.2544 173.9361 43 Y 4.9583 8.6515 124.6496 55.1989 41.2924 173.5896 44 P 4.7802 0.0000 0.0000 63.2110 33.2078 174.7385 45 I 4.9124 8.3112 120.8641 59.7973 39.8085 174.6183 46 I 5.0299 8.6613 126.6750 59.4410 40.5522 174.3921 47 L 5.1007 8.6409 125.8976 52.7192 44.4512 176.8912 48 R 4.5160 8.7310 123.9173 57.8460 30.8821 176.5220 49 L 3.7396 7.4338 120.7234 54.0074 39.3598 176.4500 50 G 3.9851 8.7502 112.3465 46.6586 0.0000 171.9143 51 S 4.9226 7.9145 114.4492 56.8955 66.8266 173.7928 52 N 4.8560 8.2047 119.0191 50.7291 37.9815 173.0812 53 L 3.9741 7.8677 120.3203 54.8209 42.7385 176.7696 54 S 4.8029 8.3970 115.4245 56.2709 64.8808 172.8553 55 L 5.0076 8.1977 127.2853 53.3185 45.2796 175.0629 56 S 5.1181 8.4778 119.0930 57.0015 66.3633 172.7937 57 M 4.4487 9.1842 123.2197 54.8970 33.2618 174.7075 58 A 5.9400 8.4680 126.8519 49.9536 22.2323 175.6614 59 R 4.8049 8.3443 116.9704 54.6612 34.9003 175.0079 60 R 3.4932 8.5477 122.0818 56.3402 30.9396 176.6964 61 N 4.4797 8.2265 122.8281 52.2125 37.8701 173.9318 62 L 4.5604 8.0179 122.3388 53.9888 42.0306 176.9775 63 D 4.7799 7.8511 115.4441 52.6616 40.6548 174.4498 64 S 4.6611 7.5291 113.7474 57.1934 65.7395 172.9214 65 L 4.8159 8.6238 119.3941 54.9639 41.2277 176.6900 66 E 4.3376 8.2650 118.0897 57.6927 31.0141 176.4771 67 A 4.2683 7.6657 120.6371 50.9380 19.2646 176.8443 68 R 3.9754 8.3974 118.1560 56.6022 30.9563 176.7986 69 A 4.2290 8.9883 124.1656 54.8720 19.0948 177.3562 70 F 5.1160 8.1087 111.0761 55.7610 43.0013 174.4026 71 Q 4.2737 9.5448 125.5946 55.6595 30.1608 174.1957 72 S 5.1571 8.7594 121.7758 57.2091 64.0010 173.2854 73 T 4.5006 9.1366 125.5678 60.9907 69.8751 172.0544 74 P 4.6431 0.0000 0.0000 63.3066 32.1082 175.8781 75 I 4.5248 8.9365 125.6605 59.2969 39.1108 176.0888 76 V 3.6849 8.4538 126.8593 61.1994 31.0054 175.7767 77 V 4.0569 8.1376 125.8618 61.5491 31.7947 175.4111 78 Q 4.4111 8.7694 132.0775 56.1802 29.2087 175.7138 79 M 4.5588 7.9637 113.6046 55.8877 32.3591 175.7234 80 T 4.6720 8.6141 117.2982 61.7072 71.6848 173.2480 81 K 4.6953 8.5992 126.9142 55.7770 33.1201 175.9330 82 L 4.4537 9.0314 127.8421 54.1682 42.4168 176.2716 83 A 4.4427 8.8545 124.4704 53.2515 20.4842 177.0980 84 T 4.6102 7.7775 109.3826 60.3657 70.0709 174.4722 85 T 4.0954 8.3024 120.0685 63.3098 67.6691 175.1910 86 E 4.2839 7.8106 120.0840 57.9995 29.9764 176.8444 87 E 4.0846 7.6393 116.7167 58.7851 29.7434 177.0270 88 L 4.1298 7.1264 118.1470 53.5836 42.4064 173.6286 89 P 4.9746 0.0000 0.0000 61.0120 33.8291 175.1202 90 D 4.5647 8.8778 117.2644 56.9836 40.8073 176.9169 91 E 4.6464 7.6660 116.5802 54.3807 32.3184 175.0005 92 F 4.9771 7.5970 115.2705 56.5196 40.4552 173.4133 93 V 4.2197 8.2626 113.4496 60.1703 33.7904 175.5967 94 V 4.7278 8.1859 123.4406 61.1793 33.6399 175.7215 95 V 3.8396 8.8433 130.2617 62.5919 31.2730 174.5670 96 T 4.4680 8.3545 123.1465 62.1223 67.9006 175.7011 97 A 4.4780 8.0262 135.0000 51.1490 16.6978 177.4871 98 K 4.0956 7.7215 124.7528 57.2958 32.9508 177.3468 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 10 P 0.00 4.39 0.00 2.06 2.17 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.11 0.00 11 P 0.00 3.71 0.00 2.21 2.12 0.00 3.69 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 2.15 2.12 0.00 12 A 9.17 4.12 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.11 4.55 0.00 1.53 1.52 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 14 H 8.39 5.18 0.00 3.10 3.18 0.00 5.61 0.00 0.00 0.00 0.00 6.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 9.04 4.43 0.00 1.57 1.53 0.92 0.73 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 16 V 8.84 4.02 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.94 0.00 0.00 17 D 8.83 4.51 0.00 2.90 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.29 0.00 2.04 2.12 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 19 Q 7.68 3.97 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 20 I 7.53 4.55 1.88 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 1.31 0.69 0.93 0.00 0.00 21 Q 8.29 4.71 0.00 1.90 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.01 0.00 0.00 0.00 0.00 0.00 2.30 2.55 0.00 22 L 8.70 4.53 0.00 1.87 1.63 0.95 0.83 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 23 T 8.28 5.40 4.28 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 1.30 0.00 0.00 24 I 8.19 4.59 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.90 0.92 0.00 0.00 25 T 7.67 3.44 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 1.22 0.00 0.00 *39 D 7.95 4.36 0.00 2.90 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.10 0.00 2.20 2.12 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 41 K 10.78 4.23 0.00 1.69 1.96 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.73 1.61 7.81 42 V 7.94 5.52 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 1.20 0.00 0.00 0.91 0.00 0.00 43 Y 8.65 4.96 0.00 2.97 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.78 0.00 2.15 2.22 0.00 3.87 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.09 0.00 45 I 8.31 4.91 1.91 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 1.41 0.71 0.95 0.00 0.00 46 I 8.66 5.03 1.99 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.57 0.87 0.00 0.00 47 L 8.64 5.10 0.00 1.63 1.57 0.93 0.88 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 48 R 8.73 4.52 0.00 1.80 1.95 0.00 3.23 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 49 L 7.43 3.74 0.00 1.97 1.72 1.06 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.75 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.91 4.92 0.00 3.81 3.76 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 52 N 8.20 4.86 0.00 2.63 2.69 0.00 0.00 6.90 7.78 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 53 L 7.87 3.97 0.00 1.65 1.62 0.92 0.89 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 54 S 8.40 4.80 0.00 3.79 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 55 L 8.20 5.01 0.00 1.75 1.43 0.92 0.79 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 56 S 8.48 5.12 0.00 3.86 3.76 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 57 M 9.18 4.45 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 58 A 8.47 5.94 1.26 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 0.00 0.00 0.00 59 R 8.34 4.80 0.00 1.76 1.78 0.00 3.34 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 60 R 8.55 3.49 0.00 1.51 1.56 0.00 3.02 0.00 0.00 2.70 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.48 0.00 61 N 8.23 4.48 0.00 2.74 2.74 0.00 0.00 7.13 7.29 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 62 L 8.02 4.56 0.00 1.62 1.61 0.88 0.95 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 63 D 7.85 4.78 0.00 2.68 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 64 S 7.53 4.66 0.00 3.94 3.88 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 65 L 8.62 4.82 0.00 1.73 1.65 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.27 4.34 0.00 2.09 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 2.20 2.36 0.00 67 A 7.67 4.27 1.25 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 0.00 0.00 0.00 68 R 8.40 3.98 0.00 1.84 2.05 0.00 3.27 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 69 A 8.99 4.23 1.50 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 70 F 8.11 5.12 0.00 2.84 2.98 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 0.00 0.00 0.00 71 Q 9.54 4.27 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 72 S 8.76 5.16 0.00 3.94 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.14 4.50 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 1.22 0.00 0.00 74 P 0.00 4.64 0.00 1.93 2.01 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 75 I 8.94 4.52 1.96 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 1.29 0.81 0.92 0.00 0.00 76 V 8.45 3.68 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 0.68 0.00 0.00 0.93 0.00 0.00 77 V 8.14 4.06 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 0.80 0.00 0.00 0.93 0.00 0.00 78 Q 8.77 4.41 0.00 2.06 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.65 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 79 M 7.96 4.56 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 80 T 8.61 4.67 4.23 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 1.20 0.00 0.00 81 K 8.60 4.70 0.00 1.85 1.72 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.24 1.44 7.81 82 L 9.03 4.45 0.00 1.57 1.51 0.81 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.85 4.44 1.24 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 84 T 7.78 4.61 4.23 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 1.24 0.00 0.00 85 T 8.30 4.10 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 1.23 0.00 0.00 86 E 7.81 4.28 0.00 2.01 1.94 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 2.29 2.28 0.00 87 E 7.64 4.08 0.00 1.95 1.95 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 2.32 2.25 0.00 88 L 7.13 4.13 0.00 1.86 1.38 0.71 0.55 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 89 P 0.00 4.97 0.00 2.28 2.11 0.00 3.44 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.06 0.00 90 D 8.88 4.56 0.00 2.73 2.81 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 0.00 0.00 0.00 91 E 7.67 4.65 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 2.19 2.27 0.00 92 F 7.60 4.98 0.00 3.21 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 93 V 8.26 4.22 2.04 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 0.57 0.00 0.00 1.06 0.00 0.00 94 V 8.19 4.73 2.14 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 0.90 0.00 0.00 1.22 0.00 0.00 95 V 8.84 3.84 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 0.89 0.00 0.00 0.96 0.00 0.00 96 T 8.35 4.47 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 97 A 8.03 4.48 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.72 4.10 0.00 1.88 1.81 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.54 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.