NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.3920 8.4345 117.0961 58.2132 63.8233 172.9805 *0 H 5.2369 7.9377 120.9004 51.3430 31.3757 175.1888 1 M 4.7376 9.5170 116.9084 54.2166 35.0750 174.4646 2 Q 4.7349 8.3238 118.9350 55.3749 30.3335 175.1245 3 I 4.7536 8.2313 116.3619 58.9849 41.7616 173.9680 4 F 5.3746 8.9247 121.3116 55.7173 42.3587 174.5184 5 V 5.0441 8.8969 122.9839 61.1919 33.8489 174.1769 6 K 5.1501 9.2634 128.2097 55.0040 34.4766 176.1831 7 T 4.8882 7.9792 114.0651 59.1131 70.8809 174.6491 8 L 4.1017 8.6674 123.2812 58.4920 42.0128 178.9975 9 T 3.7979 7.0554 107.6951 63.2419 68.4710 174.3910 10 G 4.0658 7.6890 109.5522 45.4605 0.0000 174.3438 11 K 4.0578 8.1055 121.5195 56.6869 32.8100 175.0588 12 T 5.0734 8.3619 122.1642 61.9111 70.9315 173.5608 13 I 4.5315 8.8699 126.7934 59.8769 39.9309 174.6336 14 T 4.7565 8.6208 123.8970 62.4600 69.5390 174.1848 15 L 4.7977 8.6580 126.2332 52.8352 45.6892 175.5133 16 E 4.9346 8.6420 120.6294 54.9501 31.1041 175.8913 17 V 4.5539 8.5323 117.6483 59.2933 36.4163 175.2594 18 E 4.4110 9.1499 123.3910 55.5267 30.2859 176.5979 19 P 4.2957 0.0000 0.0000 65.3926 31.6018 178.0251 20 S 4.4726 7.8651 110.0245 58.4744 63.7997 174.1286 21 D 4.4950 7.8445 122.6538 54.5522 41.2567 176.0794 22 T 4.7053 8.6422 113.0720 61.2150 71.3889 176.2144 23 I 3.8579 8.7384 125.4682 64.9109 37.1036 179.2906 24 E 4.0212 8.1225 119.2467 61.2656 29.5015 182.6584 25 N 4.5413 7.9010 117.4002 56.0019 38.5795 177.7485 26 V 3.5505 7.5905 119.3610 66.0253 31.5954 178.0080 27 K 4.1917 8.3220 119.3101 58.9010 31.8864 179.0534 28 A 3.9836 7.9451 120.5288 55.1835 18.4091 179.9060 29 K 3.9871 8.1717 117.0279 59.5835 32.1486 179.7483 30 I 3.7740 8.2917 120.7084 64.1931 36.9768 178.2147 31 Q 4.1848 8.2105 122.1875 58.7180 28.6493 178.0918 32 D 4.3527 7.9082 118.9202 57.3147 41.0051 178.5039 33 K 4.2483 7.8085 116.4658 57.8287 32.3280 177.6180 34 E 4.4595 8.3178 116.2318 55.2626 31.8216 177.1179 35 G 3.8593 8.4110 105.6829 45.0779 0.0000 173.1974 36 I 4.0759 7.4678 121.6129 59.1141 37.1911 173.6321 37 P 4.3430 0.0000 0.0000 62.3428 31.8206 175.7652 38 P 4.2697 0.0000 0.0000 65.6562 31.4855 178.4484 39 D 4.4693 8.0692 116.1837 55.5351 39.6699 176.8012 40 Q 4.3510 7.7998 118.0950 56.3211 29.5368 175.1967 41 Q 4.6386 7.7952 118.3510 55.2514 30.7446 175.0209 42 R 4.6324 8.7587 122.3117 54.7394 33.5394 173.5550 43 L 5.2167 8.5840 125.9034 53.1911 44.5241 175.3188 44 I 4.9448 8.8670 123.9033 59.4517 40.5954 174.1990 45 F 5.0080 8.8768 128.8819 56.7723 42.4178 174.8186 46 A 3.3706 8.9027 128.4152 53.0049 15.9228 177.7234 47 G 3.9115 8.3309 107.5080 46.2534 0.0000 174.0995 48 K 4.5976 7.6726 118.9048 54.2886 34.8070 174.8094 49 Q 4.6777 8.3238 122.5581 55.6549 29.9596 174.9917 50 L 4.0335 8.3999 126.5308 53.9331 43.0034 176.0572 51 E 4.5440 9.5121 123.4166 55.1658 31.2702 177.0424 52 D 4.3673 9.1196 123.9413 57.6964 41.0267 178.9262 53 G 3.8075 8.0116 104.6065 46.7785 0.0000 173.7028 54 R 4.4176 7.8971 120.0139 55.4356 31.6036 175.6590 55 T 5.5719 8.2461 109.2521 59.0905 70.9773 175.8341 56 L 4.0490 8.4297 122.3026 57.9234 41.8910 180.0149 57 S 4.1485 8.1515 113.2531 60.8360 63.4600 176.2120 58 D 4.1875 7.7935 120.7246 57.1593 40.4884 176.7250 59 Y 4.6352 7.8014 113.3510 56.9859 38.0497 174.5702 60 N 4.1788 7.6788 117.0482 54.3951 38.0328 174.2184 61 I 3.3666 7.7876 117.3878 60.6417 37.8160 175.7359 62 Q 4.7330 8.4099 124.2594 53.2920 31.8987 174.5523 63 K 4.1194 8.4484 118.0932 58.4488 32.0625 177.2092 64 E 3.9500 9.1903 122.5862 56.7421 27.8823 174.8879 65 S 4.5654 7.9592 115.7467 59.3026 64.2597 173.2363 66 T 5.2236 8.7482 118.4596 62.0643 70.6692 173.7934 67 L 5.1109 9.6849 127.0965 53.6617 44.8271 175.0084 68 H 5.3426 9.0882 118.2012 54.0696 31.8763 173.1617 69 L 5.0679 9.3823 125.4007 53.3429 44.3771 175.0066 70 V 4.4094 8.9976 126.5705 61.0907 33.9843 174.6427 71 L 4.8820 8.6010 127.4399 54.2681 43.1023 176.0770 72 R 4.5724 8.2674 120.9677 54.9225 31.6853 176.8180 73 L 4.0554 8.2356 122.2102 55.5825 42.6329 174.4886 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 -1 S 8.43 4.39 0.00 3.65 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 *0 H 7.94 5.24 0.00 2.75 2.85 0.00 7.02 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 9.52 4.74 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 2 Q 8.32 4.73 0.00 1.89 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 3 I 8.23 4.75 1.86 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 1.10 0.57 0.79 0.00 0.00 4 F 8.92 5.37 0.00 3.07 2.93 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 5 V 8.90 5.04 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 1.04 0.00 0.00 0.94 0.00 0.00 6 K 9.26 5.15 0.00 1.47 1.61 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.32 7.81 7 T 7.98 4.89 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 8 L 8.67 4.10 0.00 1.71 1.72 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.06 3.80 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 G 7.69 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.11 4.06 0.00 1.81 1.70 0.00 1.69 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.47 7.81 12 T 8.36 5.07 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 1.27 0.00 0.00 13 I 8.87 4.53 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.77 0.93 0.00 0.00 14 T 8.62 4.76 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 1.13 0.00 0.00 15 L 8.66 4.80 0.00 1.46 1.46 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.64 4.93 0.00 1.78 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 2.16 2.21 0.00 17 V 8.53 4.55 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 0.72 0.00 0.00 0.86 0.00 0.00 18 E 9.15 4.41 0.00 1.98 1.84 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 2.30 2.42 0.00 19 P 0.00 4.30 0.00 2.15 2.07 0.00 3.56 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 2.09 2.04 0.00 20 S 7.87 4.47 0.00 3.95 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 21 D 7.84 4.49 0.00 2.97 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 22 T 8.64 4.71 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 23 I 8.74 3.86 2.18 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.23 0.94 0.00 0.00 24 E 8.12 4.02 0.00 2.01 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 2.25 2.23 0.00 25 N 7.90 4.54 0.00 2.89 2.88 0.00 0.00 6.68 9.03 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 26 V 7.59 3.55 2.19 0.00 0.00 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 0.98 0.00 0.00 27 K 8.32 4.19 0.00 2.02 1.86 0.00 1.86 0.00 0.00 1.93 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.49 7.81 28 A 7.95 3.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.17 3.99 0.00 1.96 1.85 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.46 7.81 30 I 8.29 3.77 2.15 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 1.41 1.15 0.96 0.00 0.00 31 Q 8.21 4.18 0.00 2.27 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 32 D 7.91 4.35 0.00 2.86 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.81 4.25 0.00 1.76 1.87 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 34 E 8.32 4.46 0.00 2.07 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 2.23 2.36 0.00 35 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 36 I 7.47 4.08 1.88 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 1.47 1.23 0.92 0.00 0.00 37 P 0.00 4.34 0.00 2.44 2.19 0.00 3.70 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 2.27 2.00 0.00 38 P 0.00 4.27 0.00 2.20 2.14 0.00 3.60 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 39 D 8.07 4.47 0.00 2.79 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 40 Q 7.80 4.35 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.98 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 41 Q 7.80 4.64 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 42 R 8.76 4.63 0.00 1.85 1.85 0.00 3.06 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 43 L 8.58 5.22 0.00 1.61 1.53 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.87 4.94 1.89 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 1.12 1.01 0.90 0.00 0.00 45 F 8.88 5.01 0.00 3.00 2.74 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 46 A 8.90 3.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.33 3.91 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 0.00 0.00 0.00 48 K 7.67 4.60 0.00 1.75 1.70 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.52 7.81 49 Q 8.32 4.68 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 50 L 8.40 4.03 0.00 1.46 1.38 0.81 -0.09 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 51 E 9.51 4.54 0.00 2.06 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 2.35 2.43 0.00 52 D 9.12 4.37 0.00 2.76 2.75 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 53 G 8.01 3.81 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 0.00 0.00 0.00 54 R 7.90 4.42 0.00 2.14 1.60 0.00 2.78 0.00 0.00 2.75 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 55 T 8.25 5.57 4.45 0.00 0.00 0.00 0.00 0.00 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 56 L 8.43 4.05 0.00 1.84 1.70 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.15 4.15 0.00 3.99 4.15 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 58 D 7.79 4.19 0.00 2.60 2.31 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 59 Y 7.80 4.64 0.00 2.91 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 60 N 7.68 4.18 0.00 2.82 3.01 0.00 0.00 7.12 8.60 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 61 I 7.79 3.37 1.79 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 -0.15 0.63 0.00 0.00 62 Q 8.41 4.73 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.98 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 63 K 8.45 4.12 0.00 1.76 1.78 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.47 7.81 64 E 9.19 3.95 0.00 2.24 2.43 0.00 0.00 0.00 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 2.34 0.00 65 S 7.96 4.57 0.00 3.86 3.94 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 66 T 8.75 5.22 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 1.25 0.00 0.00 67 L 9.68 5.11 0.00 1.52 1.63 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.09 5.34 0.00 3.05 3.20 0.00 5.57 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.38 5.07 0.00 1.70 1.64 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 70 V 9.00 4.41 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 0.93 0.00 0.00 0.94 0.00 0.00 71 L 8.60 4.88 0.00 1.57 1.58 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.27 4.57 0.00 1.82 1.85 0.00 3.36 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 73 L 8.24 4.06 0.00 1.57 1.49 0.92 0.86 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 * Residues marked with a * may have inaccurate shift predictions.