NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4422 8.3049 120.7169 54.1573 32.1758 172.3927 2 I 3.3990 8.2877 122.2056 60.8373 34.5576 171.7417 3 I 3.7913 9.0748 128.0936 61.2245 38.4653 174.8100 4 N 5.2854 8.6835 122.9038 52.1080 40.8471 173.6801 5 N 4.8823 8.7338 122.3036 52.9997 39.5214 176.4341 6 L 3.7770 8.1256 122.9676 58.0746 41.9686 178.9095 7 K 3.9966 7.9181 118.9768 59.5754 32.1673 178.4122 8 L 3.9499 7.8343 118.6438 57.9072 41.5756 179.5674 9 I 3.6787 7.7640 119.5705 64.3523 37.0387 178.4597 10 R 3.9000 8.2204 119.8709 59.4841 29.8869 178.4282 11 E 3.9506 8.4698 118.6747 59.2287 29.2367 178.9817 12 K 3.8734 7.9596 118.6982 59.2819 32.2331 177.8954 13 K 4.3565 7.8058 117.5128 55.5622 32.8204 177.2485 14 K 3.8480 7.9206 119.6067 55.9428 29.4049 180.0101 15 I 4.4779 7.4587 120.2594 59.9019 39.4947 177.4361 16 S 4.5681 8.3026 120.3276 57.2219 65.6970 175.1926 17 Q 4.0115 8.5082 120.6900 59.3026 28.3358 179.5249 18 S 4.1040 7.9809 114.6564 61.3519 63.1356 175.9367 19 E 3.8571 7.8964 122.1066 58.8250 29.3635 178.5310 20 L 3.8733 8.0149 120.2199 58.0943 42.1646 178.7791 21 A 3.9818 8.2728 120.6777 55.1088 18.1533 179.4848 22 A 3.9111 8.2118 119.4106 55.2628 18.2242 179.8177 23 L 3.6210 7.6546 116.5164 57.6489 41.6867 179.1994 24 L 4.1985 7.6696 116.5355 54.4190 42.4610 176.3931 25 E 3.7771 7.6554 117.6991 57.8157 27.4026 173.9913 26 V 4.5474 7.5116 109.2124 58.9079 35.9307 176.1981 27 S 4.2612 8.3026 115.3150 58.1227 63.0462 174.9260 28 R 3.9369 8.7104 125.7584 59.8474 29.6648 178.8141 29 Q 4.0445 8.1762 117.2535 59.3046 28.6351 178.9995 30 T 4.1576 7.9447 116.8667 66.6207 68.4330 176.9455 31 I 3.7717 7.7671 121.3247 64.4136 37.2278 177.7921 32 N 4.3820 8.5173 118.1695 56.6557 38.6837 177.1449 33 G 3.4309 8.2987 108.6242 47.1123 0.0000 175.7981 34 I 3.8902 7.7970 123.4912 63.7872 36.9585 178.4042 35 E 4.0405 8.3091 118.4351 58.7697 29.2866 178.5582 36 K 4.3131 7.6972 115.9588 55.5964 32.3025 176.6663 37 N 4.3723 7.7629 115.2350 54.0382 36.4592 175.6806 38 K 4.0779 8.0063 120.8844 59.1786 32.5924 176.6752 39 Y 4.7705 6.8133 113.9497 56.2951 40.1628 172.8244 40 N 4.9956 8.6123 118.4698 51.2356 40.2205 173.6111 41 P 4.5691 0.0000 0.0000 61.8544 32.5443 176.6123 42 S 4.2688 8.2800 114.1561 58.1226 64.6782 174.9393 43 L 3.8361 8.3150 123.5870 58.4394 41.7769 178.9311 44 Q 3.9314 7.9621 118.9348 59.0817 29.0086 177.7305 45 L 3.9840 8.0662 121.2095 58.0217 42.0873 178.7346 46 A 4.0888 8.3417 121.1528 55.3077 18.2834 179.6537 47 L 4.0356 8.3744 117.8325 57.8524 41.5732 179.9481 48 K 4.0997 8.3989 118.6729 59.2605 31.9564 179.4230 49 I 3.8562 8.2886 120.2484 64.5229 37.1514 178.2223 50 A 4.0632 8.3180 121.5449 55.2737 18.3009 178.9691 51 Y 3.8788 8.2255 117.9416 61.2721 38.7116 178.0866 52 Y 4.1619 8.1628 115.6640 59.9471 38.1109 177.0048 53 L 4.4219 7.9867 117.8728 53.4002 42.4488 175.8300 54 N 4.1445 7.7673 114.9842 54.4959 36.7878 174.3710 55 T 4.6610 7.7125 112.0913 60.7646 72.5774 172.8450 56 P 4.3442 0.0000 0.0000 62.6573 32.2726 176.9777 57 L 4.0758 8.8389 123.8498 58.5963 41.8327 179.1002 58 E 4.5833 8.0635 117.0293 58.0355 29.5346 178.0479 59 D 4.5426 8.0749 118.2231 55.8071 41.2768 177.1140 60 I 3.8754 8.2821 120.6219 62.1687 38.2268 175.1465 61 F 5.3068 7.9744 119.8057 55.8809 41.9540 174.4820 62 Q 4.7768 9.4465 124.7804 54.0105 30.5030 174.6958 63 W 5.1023 9.0763 135.0000 56.6772 32.4299 175.9769 64 Q 4.0564 7.2780 125.3419 52.6969 31.2342 172.0461 65 P 3.6094 0.0000 0.0000 62.2632 32.1464 176.9628 *66 E 4.1515 8.5051 114.3768 56.3381 30.3219 176.3921 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 M 8.30 4.44 0.00 1.82 1.96 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.15 0.00 2 I 8.29 3.40 2.03 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 1.66 1.26 1.17 0.00 0.00 3 I 9.07 3.79 1.88 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 1.17 0.53 0.90 0.00 0.00 4 N 8.68 5.29 0.00 2.76 2.82 0.00 0.00 6.95 7.79 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 5 N 8.73 4.88 0.00 2.72 2.68 0.00 0.00 6.23 6.46 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 6 L 8.13 3.78 0.00 1.50 1.66 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.92 4.00 0.00 1.83 1.76 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.52 7.81 8 L 7.83 3.95 0.00 1.85 1.68 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.76 3.68 1.81 0.00 0.00 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 1.37 1.07 0.88 0.00 0.00 10 R 8.22 3.90 0.00 1.88 1.91 0.00 3.23 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.68 0.00 11 E 8.47 3.95 0.00 2.27 1.97 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 2.32 2.54 0.00 12 K 7.96 3.87 0.00 2.12 1.97 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.37 7.81 13 K 7.81 4.36 0.00 1.86 1.81 0.00 1.98 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.53 7.81 14 K 7.92 3.85 0.00 1.92 1.72 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.29 1.26 7.81 15 I 7.46 4.48 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 1.36 1.26 0.91 0.00 0.00 16 S 8.30 4.57 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.51 4.01 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 18 S 7.98 4.10 0.00 4.04 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.90 3.86 0.00 2.07 1.97 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 2.28 2.27 0.00 20 L 8.01 3.87 0.00 1.82 1.65 0.98 1.12 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 21 A 8.27 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 22 A 8.21 3.91 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 23 L 7.65 3.62 0.00 1.30 0.28 0.79 0.69 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 24 L 7.67 4.20 0.00 1.76 1.76 1.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.66 3.78 0.00 2.06 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 2.24 2.24 0.00 26 V 7.51 4.55 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 0.75 0.00 0.00 0.97 0.00 0.00 27 S 8.30 4.26 0.00 3.86 3.75 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 28 R 8.71 3.94 0.00 1.92 1.93 0.00 3.25 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 29 Q 8.18 4.04 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 30 T 7.94 4.16 4.46 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 1.33 0.00 0.00 31 I 7.77 3.77 2.03 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 1.57 1.02 0.94 0.00 0.00 32 N 8.52 4.38 0.00 3.00 2.95 0.00 0.00 7.14 7.62 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 33 G 8.30 3.43 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 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.80 3.89 2.09 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.30 1.15 0.00 0.00 35 E 8.31 4.04 0.00 2.04 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 2.33 2.54 0.00 36 K 7.70 4.31 0.00 1.70 1.77 0.00 1.94 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.60 7.81 37 N 7.76 4.37 0.00 2.88 2.95 0.00 0.00 6.94 7.68 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 38 K 8.01 4.08 0.00 0.94 1.72 0.00 1.63 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.28 7.81 39 Y 6.81 4.77 0.00 3.13 3.04 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 0.00 0.00 0.00 0.00 40 N 8.61 5.00 0.00 2.75 2.71 0.00 0.00 6.98 8.02 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 41 P 0.00 4.57 0.00 2.15 2.11 0.00 3.52 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 42 S 8.28 4.27 0.00 4.04 4.02 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 43 L 8.32 3.84 0.00 1.72 1.67 0.88 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 7.96 3.93 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 45 L 8.07 3.98 0.00 1.84 1.78 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.34 4.09 1.20 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 0.00 0.00 47 L 8.37 4.04 0.00 1.85 1.75 0.91 0.86 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 48 K 8.40 4.10 0.00 2.08 2.10 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.68 7.81 49 I 8.29 3.86 2.26 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.94 1.04 0.00 0.00 50 A 8.32 4.06 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 51 Y 8.23 3.88 0.00 3.02 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 52 Y 8.16 4.16 0.00 3.13 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 53 L 7.99 4.42 0.00 1.71 1.70 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 54 N 7.77 4.14 0.00 2.80 2.80 0.00 0.00 6.68 7.01 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 55 T 7.71 4.66 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 1.20 0.00 0.00 56 P 0.00 4.34 0.00 2.19 2.00 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 57 L 8.84 4.08 0.00 1.80 1.76 0.97 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.06 4.58 0.00 2.01 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 0.00 2.39 2.40 0.00 59 D 8.07 4.54 0.00 2.80 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 60 I 8.28 3.88 1.73 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 1.20 0.78 0.22 0.00 0.00 61 F 7.97 5.31 0.00 2.97 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 62 Q 9.45 4.78 0.00 1.98 2.06 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 2.50 2.30 0.00 63 W 9.08 5.10 0.00 3.31 3.16 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 0.00 64 Q 7.28 4.06 0.00 1.81 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.78 0.00 0.00 0.00 0.00 0.00 2.16 1.93 0.00 65 P 0.00 3.61 0.00 1.89 2.02 0.00 3.28 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.08 0.00 *66 E 8.51 4.15 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.