NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 I 4.3142 7.9716 117.9463 59.3372 37.2291 175.6745 11 C 3.7349 8.8116 123.5687 56.1901 43.8179 172.0818 12 C 4.8997 8.4743 124.8282 56.6231 32.6637 170.3125 13 K 4.2132 8.8619 127.5098 55.6212 32.0530 176.7959 14 K 4.1975 8.5522 134.1588 55.2142 33.5006 174.2430 15 Q 4.7398 8.3784 123.7695 53.4581 28.2511 173.5983 16 F 4.7654 8.3009 127.9709 55.7424 41.4780 173.8637 17 F 4.6747 8.0894 130.4908 57.0225 41.1632 175.1284 18 V 4.0648 5.9447 124.9571 60.0262 36.2912 174.2599 19 S 4.4720 8.0783 115.6538 58.4925 65.9096 172.3926 20 F 4.9693 8.5392 116.0773 60.4506 40.3035 179.4473 21 K 4.3313 8.2145 120.7254 56.8159 32.0434 181.5381 22 D 4.6122 8.3160 116.7771 57.0768 40.9820 176.7371 23 I 4.1358 7.1716 116.6520 62.6949 38.7041 177.0676 *25 W 5.0433 7.7021 117.8019 55.7700 30.7920 176.7395 26 N 4.5222 8.7509 116.1957 55.8432 36.4880 175.5914 27 D 4.6506 8.1579 116.5663 55.4618 41.7621 177.7932 28 W 4.2446 8.6586 120.2023 59.3621 29.4299 176.0148 29 I 4.3434 7.7323 118.2111 60.8404 37.3606 176.2601 30 I 3.9777 9.0838 127.4077 63.9074 37.5066 176.2954 31 A 4.7337 7.4220 120.6944 50.2481 21.9363 174.8051 32 P 4.6415 0.0000 0.0000 62.2152 33.9434 175.6987 33 S 4.6154 8.9738 111.0763 61.5215 63.5947 173.3957 34 G 3.9160 7.9489 105.1658 46.3562 0.0000 172.0066 35 Y 5.1584 7.2433 118.8316 55.8017 41.8002 175.1671 *36 H 4.6642 9.1853 119.8082 55.8047 27.8701 175.1192 37 A 4.0052 8.1013 128.0015 53.5096 19.4668 176.6281 38 N 4.9001 9.1474 115.0113 53.1937 38.9914 172.9956 39 Y 5.1256 7.7367 116.1127 56.1843 41.1852 173.6411 40 C 4.8948 8.6631 118.3001 55.4633 42.2624 173.0219 *42 G 3.6926 8.2264 111.9026 46.3576 0.0000 172.3502 43 E 4.6557 8.3265 114.4180 54.0169 31.4992 174.1694 44 C 5.2244 8.5787 121.3845 53.3907 43.1312 172.3832 45 P 4.6376 0.0000 0.0000 61.3610 32.1768 175.7884 46 S 3.9259 8.5589 115.9889 59.2506 63.0459 174.8268 *77 L 4.0733 8.3335 122.9811 54.7854 41.7520 177.8934 78 K 4.8002 8.5688 126.8785 52.3626 35.7332 172.7217 79 S 4.8921 8.4927 117.9801 57.1829 66.1072 173.5211 80 C 4.8747 9.0172 121.6586 57.0302 32.1563 173.0524 81 C 4.6845 8.8886 122.4935 56.5174 44.1748 172.7375 82 V 4.7598 8.3584 119.5798 58.1766 35.2168 173.4335 83 P 4.6580 0.0000 0.0000 64.1893 31.2084 176.8478 84 T 4.5874 8.9649 119.6214 62.0883 70.9326 172.9657 85 K 4.7791 7.9247 122.2779 53.9121 35.9329 180.3749 86 L 5.3539 8.7669 125.5632 52.8835 45.7881 176.6440 87 R 4.9101 8.9705 121.6089 54.4845 33.6216 173.9415 88 P 4.9978 0.0000 0.0000 62.5268 33.7287 174.5511 89 M 4.9005 8.9002 118.9474 54.0467 35.7897 174.3563 90 S 4.9981 8.7440 120.7774 58.8062 64.5366 173.4790 91 M 5.0464 8.7481 120.5746 53.8976 36.9134 173.9727 92 L 4.9009 9.3497 126.0370 53.6668 44.2585 174.2130 93 Y 4.8348 7.2969 124.7630 56.0056 41.8307 173.3733 94 Y 4.5982 8.4918 116.2804 57.1897 39.1920 175.3825 95 D 4.5775 10.4095 123.0949 54.1883 41.9072 176.0914 96 D 4.7056 7.9378 125.6932 55.3965 42.6016 175.4220 97 G 3.6497 7.7200 117.2072 47.9879 0.0000 171.3914 98 Q 3.2860 7.6249 116.0446 55.8696 25.7909 173.9642 99 N 4.9116 7.7130 116.9969 52.8467 39.9866 174.2221 100 I 3.7538 8.2519 127.7825 61.4065 38.1986 175.6583 101 I 4.5704 8.5163 125.9837 59.5765 42.1821 174.4399 102 K 5.2122 8.1732 126.5210 55.6698 34.6868 175.8382 103 K 4.7268 8.5847 129.4956 53.8369 36.7775 171.6856 104 D 4.8783 8.6503 121.4807 53.3420 41.1270 176.2190 105 I 3.9666 8.3169 125.5134 61.0656 38.1966 176.4339 106 Q 4.5330 8.7901 127.4612 55.2649 30.2363 174.2748 107 N 4.7733 8.4215 114.3729 54.5995 36.1920 175.0658 108 M 4.4764 7.4822 116.1335 55.5496 33.3354 176.6906 109 I 4.7745 7.9886 120.2188 59.3017 41.0366 174.7393 110 V 4.1926 8.5427 129.2962 63.1583 31.5220 175.8071 111 E 4.5258 9.4317 127.4483 58.2256 30.3833 172.8450 112 E 4.6603 7.7669 117.6358 54.6832 32.8276 175.4144 113 C 5.1009 8.9603 121.8582 56.8069 38.6850 172.3430 114 G 3.9685 8.5129 105.4508 46.6469 0.0000 171.4619 115 C 5.3277 8.7147 116.7703 55.2065 42.1345 174.6107 116 S 4.3709 8.2622 116.9299 58.9791 62.0042 174.2780 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 I 7.97 4.31 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 1.28 1.84 0.91 0.00 0.00 11 C 8.81 3.73 0.00 3.01 3.08 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 12 C 8.47 4.90 0.00 2.47 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.86 4.21 0.00 1.75 1.76 0.00 1.98 0.00 0.00 1.72 0.00 0.00 2.73 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.41 7.81 14 K 8.55 4.20 0.00 1.53 1.66 0.00 1.85 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.34 1.26 7.81 15 Q 8.38 4.74 0.00 1.82 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.69 0.00 0.00 0.00 0.00 0.00 2.21 1.75 0.00 16 F 8.30 4.77 0.00 3.18 3.01 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 17 F 8.09 4.67 0.00 2.80 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 5.94 4.06 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 0.67 0.00 0.00 0.93 0.00 0.00 19 S 8.08 4.47 0.00 3.34 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.54 4.97 0.00 3.39 3.15 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 21 K 8.21 4.33 0.00 1.77 1.72 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.02 7.81 22 D 8.32 4.61 0.00 2.52 2.77 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 23 I 7.17 4.14 1.66 0.00 0.00 0.65 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 0.60 0.62 0.00 0.00 *25 W 7.70 5.04 0.00 3.66 3.31 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 26 N 8.75 4.52 0.00 2.97 3.27 0.00 0.00 6.09 8.06 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 27 D 8.16 4.65 0.00 2.71 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.66 4.24 0.00 3.51 3.15 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 29 I 7.73 4.34 1.44 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 -0.05 0.68 0.00 0.00 30 I 9.08 3.98 1.91 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.41 0.90 0.00 0.00 31 A 7.42 4.73 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 32 P 0.00 4.64 0.00 2.53 2.26 0.00 3.96 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.14 0.00 33 S 8.97 4.62 0.00 4.20 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 0.00 34 G 7.95 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 7.24 5.16 0.00 2.99 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 *36 H 9.19 4.66 0.00 2.72 2.95 0.00 7.19 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.10 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 9.15 4.90 0.00 2.92 2.95 0.00 0.00 6.61 8.04 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 39 Y 7.74 5.13 0.00 3.04 2.97 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 40 C 8.66 4.89 0.00 3.11 3.11 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 0.00 0.00 0.00 0.00 *42 G 8.23 3.69 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 0.00 0.00 0.00 43 E 8.33 4.66 0.00 1.88 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 0.00 2.22 1.86 0.00 44 C 8.58 5.22 0.00 2.98 2.99 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 45 P 0.00 4.64 0.00 2.18 2.05 0.00 3.80 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 1.98 1.95 0.00 46 S 8.56 3.93 0.00 3.99 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 *77 L 8.33 4.07 0.00 1.71 1.57 0.92 0.63 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 78 K 8.57 4.80 0.00 1.70 1.53 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.24 0.97 7.81 79 S 8.49 4.89 0.00 3.32 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 C 9.02 4.87 0.00 2.81 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 C 8.89 4.68 0.00 3.08 3.06 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 82 V 8.36 4.76 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 0.69 0.00 0.00 0.98 0.00 0.00 83 P 0.00 4.66 0.00 2.10 2.09 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 84 T 8.96 4.59 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 85 K 7.92 4.78 0.00 1.37 1.63 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.77 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.33 1.01 7.81 86 L 8.77 5.35 0.00 1.48 1.57 0.94 0.94 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 87 R 8.97 4.91 0.00 1.44 1.73 0.00 3.25 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 88 P 0.00 5.00 0.00 2.09 2.10 0.00 3.71 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 89 M 8.90 4.90 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 90 S 8.74 5.00 0.00 3.84 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.75 5.05 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.58 0.00 92 L 9.35 4.90 0.00 1.62 1.48 0.76 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 7.30 4.83 0.00 3.34 3.08 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 94 Y 8.49 4.60 0.00 2.90 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 95 D 10.41 4.58 0.00 2.91 2.67 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 0.00 0.00 0.00 96 D 7.94 4.71 0.00 2.75 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 7.72 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.62 3.29 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.20 1.89 0.00 99 N 7.71 4.91 0.00 2.92 2.80 0.00 0.00 7.25 7.70 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 0.00 100 I 8.25 3.75 1.73 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.80 0.64 0.00 0.00 101 I 8.52 4.57 1.24 0.00 0.00 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 1.04 1.36 0.77 0.00 0.00 102 K 8.17 5.21 0.00 1.55 1.54 0.00 1.54 0.00 0.00 2.38 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.25 1.17 7.81 103 K 8.58 4.73 0.00 1.42 1.57 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.77 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.33 1.03 7.81 104 D 8.65 4.88 0.00 2.57 2.70 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 0.00 105 I 8.32 3.97 1.86 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.99 0.89 0.00 0.00 106 Q 8.79 4.53 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.23 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 107 N 8.42 4.77 0.00 2.84 2.84 0.00 0.00 6.85 7.66 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 0.00 108 M 7.48 4.48 0.00 1.74 2.03 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 109 I 7.99 4.77 2.06 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.95 1.04 0.00 0.00 110 V 8.54 4.19 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 0.73 0.00 0.00 1.00 0.00 0.00 111 E 9.43 4.53 0.00 1.74 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 2.21 2.12 0.00 112 E 7.77 4.66 0.00 1.97 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 2.26 2.33 0.00 113 C 8.96 5.10 0.00 2.89 3.08 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 0.00 114 G 8.51 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 0.00 0.00 0.00 115 C 8.71 5.33 0.00 2.87 3.01 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 0.00 116 S 8.26 4.37 0.00 3.78 3.78 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 * Residues marked with a * may have inaccurate shift predictions.