NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4639 8.2893 120.3282 55.2561 33.3977 173.5373 2 K 4.3868 8.3207 118.3947 55.2089 34.4087 174.3931 3 I 3.9507 8.1130 123.9742 60.2591 38.7838 175.2473 4 P 4.4804 0.0000 0.0000 62.9664 32.5100 175.0400 5 I 5.0009 8.4095 123.6403 59.6825 39.4248 174.5241 6 E 4.6587 9.4992 127.1651 54.7927 31.8315 174.8089 7 E 4.9465 9.0232 125.1626 54.2542 30.9492 173.6628 8 L 4.8199 8.7207 125.3505 53.4922 45.4849 176.9939 9 E 3.8306 9.0653 124.8835 57.8299 27.8696 174.6401 10 D 4.9929 9.1040 127.3775 53.8490 41.2307 174.7427 11 R 4.8375 8.2515 118.2732 54.7430 33.5515 174.8894 12 V 4.6968 7.9194 121.0961 61.1547 34.1016 174.5162 13 F 5.3622 9.3344 125.8245 55.7028 43.3734 173.7919 14 V 4.5134 8.7185 122.3676 61.3093 33.3821 173.8869 15 N 5.1204 8.8825 127.4028 52.4237 39.7928 172.9652 16 C 5.0561 8.3351 123.8385 55.1997 42.6946 174.5602 17 N 4.3933 8.9222 118.8457 55.8522 38.7964 174.7228 18 T 4.8643 7.3568 112.1490 60.0723 70.3713 172.9448 19 S 4.3135 8.5754 113.6497 59.4734 64.1977 173.7472 20 I 4.6483 8.2187 121.4897 59.9322 38.9955 175.3012 21 T 4.3546 9.1138 125.8968 62.8383 69.6148 174.0173 22 W 4.8650 9.0340 135.0000 57.1361 31.2956 175.1153 23 V 3.8549 7.3570 126.8419 63.6394 32.6975 175.0850 24 E 3.3632 6.4954 115.0763 56.4609 32.1846 176.4175 25 G 3.7054 8.8394 107.1494 44.5112 0.0000 172.4504 26 T 3.9373 8.2198 115.7576 64.5595 68.9611 174.2921 27 V 3.5957 8.7651 126.4463 64.5871 31.8732 177.1713 28 G 3.8995 8.0353 107.0370 44.8080 0.0000 171.6541 29 T 4.6056 8.2088 114.6841 61.3371 71.5012 173.7702 30 L 4.3369 8.6738 128.9977 54.9984 43.2084 176.9990 31 L 4.6186 8.8454 127.3400 52.4793 41.2782 176.9012 32 S 4.1444 8.5343 119.2829 61.7279 63.4640 176.9625 33 D 4.3504 8.2554 118.3805 56.8905 40.6278 177.1926 34 I 4.1505 7.7092 109.4465 59.6853 38.4276 175.8905 35 T 3.5239 7.5382 109.6531 62.9750 67.8486 171.2522 36 R 4.9313 8.0265 119.9443 55.0617 35.8455 175.6242 37 L 4.9208 8.8701 124.2685 53.3768 44.4636 174.9761 38 D 4.7865 9.3380 127.9508 53.5801 41.3830 176.3308 39 L 4.0386 8.6008 126.4422 55.3046 42.3126 178.1980 40 G 3.6308 8.4866 107.6435 43.8332 0.0000 172.5888 41 K 4.3771 8.1880 117.8185 56.0641 32.7247 178.6013 42 R 3.6094 8.9776 121.1650 58.9140 29.4412 178.7905 43 I 3.8306 7.6461 110.5254 62.8139 37.6017 176.1564 44 L 4.3739 7.8109 120.6915 53.8327 41.4772 176.7710 45 D 4.4038 8.0295 117.4554 54.7423 38.5584 170.8822 46 P 4.6096 0.0000 0.0000 62.8757 33.4280 177.1284 47 R 5.5802 8.1057 121.2294 55.0781 34.8693 174.7484 48 G 4.2043 8.0509 108.9729 46.6460 0.0000 171.2834 49 I 4.8338 7.4454 119.7331 59.5636 40.8314 174.7804 50 Y 5.1847 8.8297 123.1075 56.2501 42.8407 174.2047 51 R 4.8847 9.3253 121.8309 54.9343 33.8500 173.1701 52 C 5.2353 8.8319 122.7067 55.4066 43.0820 172.4305 53 N 5.0468 7.9626 118.8478 51.5042 39.5747 174.2470 *62 E 4.2363 8.6583 124.0986 56.1510 31.0259 174.5733 63 S 4.9205 8.3684 118.8304 57.3329 67.8494 173.0152 64 T 5.2282 8.3861 116.9587 61.9958 72.4184 173.8520 65 V 4.5284 9.1843 124.6048 59.9299 35.0424 173.9909 66 Q 4.8856 8.7778 124.6931 54.5205 30.6843 174.4575 67 V 4.3685 8.8963 127.4378 62.0620 33.6605 174.4142 68 H 4.7614 8.7647 126.6468 55.1780 31.8273 171.3012 69 Y 4.4800 8.6728 123.7698 56.4841 39.7439 176.7266 70 R 4.9303 8.3090 122.9401 54.6824 30.5503 174.1152 71 M 4.2222 9.9842 122.6643 54.6040 33.3617 175.9673 72 C 3.8092 8.3458 115.2553 61.7665 25.1242 174.3596 73 Q 3.1756 8.6868 114.9857 57.1871 25.6536 174.8839 74 S 4.1767 8.2850 115.5355 58.8120 62.7520 171.3846 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 8.29 4.46 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 2 K 8.32 4.39 0.00 1.94 1.80 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.54 7.81 3 I 8.11 3.95 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.57 0.96 0.00 0.00 4 P 0.00 4.48 0.00 2.13 2.20 0.00 3.75 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 2.31 2.01 0.00 5 I 8.41 5.00 1.96 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 1.54 1.02 1.10 0.00 0.00 6 E 9.50 4.66 0.00 2.08 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 2.27 2.28 0.00 7 E 9.02 4.95 0.00 2.08 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 2.25 2.37 0.00 8 L 8.72 4.82 0.00 2.03 1.62 0.80 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 9 E 9.07 3.83 0.00 2.18 1.30 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 2.25 2.29 0.00 10 D 9.10 4.99 0.00 2.64 2.82 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 0.00 0.00 0.00 11 R 8.25 4.84 0.00 1.77 1.01 0.00 3.10 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.42 0.00 12 V 7.92 4.70 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 0.89 0.00 0.00 0.12 0.00 0.00 13 F 9.33 5.36 0.00 2.88 2.82 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 0.00 0.00 0.00 14 V 8.72 4.51 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 1.02 0.00 0.00 0.53 0.00 0.00 15 N 8.88 5.12 0.00 2.78 2.72 0.00 0.00 7.11 6.94 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 16 C 8.34 5.06 0.00 2.95 3.03 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 0.00 0.00 0.00 17 N 8.92 4.39 0.00 2.72 2.88 0.00 0.00 6.68 7.54 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 18 T 7.36 4.86 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 19 S 8.58 4.31 0.00 3.97 4.03 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 0.00 0.00 0.00 20 I 8.22 4.65 1.94 0.00 0.00 0.89 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 0.71 1.00 0.00 0.00 21 T 9.11 4.35 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 1.27 0.00 0.00 22 W 9.03 4.86 0.00 3.41 3.18 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 0.00 0.00 0.00 0.00 23 V 7.36 3.85 1.65 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 0.55 0.00 0.00 0.75 0.00 0.00 24 E 6.50 3.36 0.00 1.74 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.94 0.00 25 G 8.84 3.71 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 0.00 0.00 0.00 26 T 8.22 3.94 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 1.26 0.00 0.00 27 V 8.77 3.60 1.99 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 0.47 0.00 0.00 0.70 0.00 0.00 28 G 8.04 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 0.00 0.00 0.00 29 T 8.21 4.61 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 30 L 8.67 4.34 0.00 1.66 1.58 1.01 1.00 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 31 L 8.85 4.62 0.00 1.69 1.57 1.10 0.59 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 32 S 8.53 4.14 0.00 3.88 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 33 D 8.26 4.35 0.00 2.65 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 7.71 4.15 1.80 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.55 0.87 0.00 0.00 35 T 7.54 3.52 4.35 0.00 0.00 0.00 0.00 0.00 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 36 R 8.03 4.93 0.00 1.73 1.85 0.00 2.88 0.00 0.00 2.83 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 37 L 8.87 4.92 0.00 1.72 1.42 1.06 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 38 D 9.34 4.79 0.00 2.88 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 39 L 8.60 4.04 0.00 1.39 1.56 0.73 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.49 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 0.00 0.00 0.00 41 K 8.19 4.38 0.00 1.75 1.68 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.35 7.81 42 R 8.98 3.61 0.00 1.79 1.96 0.00 2.88 0.00 0.00 3.33 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.57 0.00 43 I 7.65 3.83 1.86 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 1.38 0.57 0.91 0.00 0.00 44 L 7.81 4.37 0.00 1.81 1.68 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.03 4.40 0.00 2.82 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 P 0.00 4.61 0.00 2.06 2.20 0.00 3.55 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 1.65 1.51 0.00 47 R 8.11 5.58 0.00 1.79 1.85 0.00 3.16 0.00 0.00 3.16 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.59 0.00 48 G 8.05 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 0.00 0.00 0.00 0.00 49 I 7.45 4.83 1.43 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.56 0.70 0.00 0.00 50 Y 8.83 5.18 0.00 2.90 2.86 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 51 R 9.33 4.88 0.00 1.79 1.73 0.00 3.06 0.00 0.00 3.42 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 52 C 8.83 5.24 0.00 2.96 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 53 N 7.96 5.05 0.00 2.66 2.76 0.00 0.00 6.89 7.54 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 *62 E 8.66 4.24 0.00 1.96 1.89 0.00 0.00 0.00 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 2.35 0.00 63 S 8.37 4.92 0.00 3.78 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 64 T 8.39 5.23 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 65 V 9.18 4.53 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 0.87 0.00 0.00 1.00 0.00 0.00 66 Q 8.78 4.89 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 67 V 8.90 4.37 2.41 0.00 0.00 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 1.15 0.00 0.00 68 H 8.76 4.76 0.00 3.13 3.14 0.00 5.95 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 8.67 4.48 0.00 3.09 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.31 4.93 0.00 1.81 1.81 0.00 3.24 0.00 0.00 3.90 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.00 71 M 9.98 4.22 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.85 0.00 72 C 8.35 3.81 0.00 3.13 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 73 Q 8.69 3.18 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.07 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 74 S 8.29 4.18 0.00 4.04 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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.