NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *20 M 4.4424 8.3044 118.7933 53.9002 33.4564 175.6425 21 K 3.7605 8.2530 122.2672 54.7872 32.7358 174.9464 22 T 4.3680 8.8412 115.0174 61.0185 70.9366 172.5739 23 E 5.0926 6.9667 120.0756 54.9612 34.1488 175.2351 24 W 5.1379 9.0307 120.0489 54.4455 29.5708 174.6987 25 P 4.3957 0.0000 0.0000 65.3194 31.4834 179.1534 26 E 4.1812 8.2149 115.5771 58.1346 29.9249 177.3823 27 L 4.3081 8.1797 119.4744 55.5474 42.3073 176.9171 28 V 3.8869 7.3235 119.5522 64.1726 31.7094 176.3102 29 G 3.9710 9.1473 115.9808 45.3377 0.0000 173.6994 30 K 4.3519 7.8253 119.7469 55.1289 33.3811 176.5777 31 S 4.7565 8.5091 116.8114 57.8109 64.8865 175.6316 32 V 3.6201 8.3546 123.7737 65.0095 30.9798 178.6606 33 E 3.8810 8.0380 118.7219 59.2437 29.3487 178.7233 34 E 3.8688 8.3520 119.1701 59.0733 29.6169 178.4577 35 A 3.8714 7.9641 120.8378 55.2078 18.4133 179.6901 36 K 3.7083 8.0618 116.8458 59.3933 32.2452 179.4616 37 K 3.8604 7.8847 119.7473 59.4406 32.2567 179.0580 38 V 3.5621 7.8839 118.5887 66.0990 31.4152 177.9602 39 I 3.1408 7.5862 119.7373 64.2949 36.7061 178.4691 40 L 4.1476 7.9530 119.3372 57.4325 41.1279 179.5658 41 Q 4.0295 7.7474 117.5244 58.9422 28.7162 177.8385 42 D 4.7810 8.0121 118.6747 55.7078 42.5812 177.0524 43 K 4.6955 8.3467 120.3181 54.0225 32.5689 174.4373 44 P 4.5020 0.0000 0.0000 64.0415 31.8530 177.2525 45 A 4.4113 7.8731 118.5910 51.6793 18.9903 176.7771 46 A 4.2366 7.8338 119.4939 53.0259 19.3860 178.2908 47 Q 4.3269 9.2764 121.6247 54.7221 29.8062 174.5122 48 I 4.7821 8.0677 125.2266 59.7487 38.8701 175.2848 49 I 4.4215 8.1645 126.3970 59.0650 40.9263 173.9644 50 V 4.5309 8.2961 129.1678 61.7188 32.5926 174.8330 51 L 4.8725 8.5141 126.8000 52.0803 46.6291 174.1750 52 P 4.9240 0.0000 0.0000 62.2268 32.4963 176.7282 53 V 4.0041 8.6853 124.2944 63.1449 31.8823 176.3711 54 G 3.8228 8.7941 109.6492 46.2768 0.0000 173.2601 55 T 4.5429 7.2610 108.0459 59.8380 70.8648 173.7641 56 I 4.4551 7.9799 122.2904 59.9490 38.8309 175.7307 57 V 4.6544 7.9166 115.9533 59.1497 35.6427 175.4980 58 T 3.9955 8.5476 111.5253 62.4907 68.7676 173.9804 59 G 4.1337 8.5050 111.9911 45.6146 0.0000 173.5835 60 E 4.3818 8.0769 116.9773 55.1154 31.0396 174.7536 61 Y 4.7034 8.4571 121.1983 56.0080 40.2233 175.2015 62 R 4.3700 8.1546 127.0546 54.0982 31.9162 176.5615 63 I 3.5039 8.1675 124.1468 62.9961 38.4566 176.1876 64 D 4.5546 7.9111 118.4109 53.9868 40.2865 175.3914 65 R 4.9075 7.5908 121.4152 54.8988 32.6438 175.2050 66 V 4.7576 8.3782 124.7233 61.1159 34.1927 174.5892 67 R 4.4628 8.6665 127.4959 55.7902 31.2049 176.1076 68 L 4.5714 8.6285 123.6674 53.0061 44.3732 175.4757 69 F 4.9748 8.7885 123.5081 56.4006 40.4409 175.4009 70 V 5.0212 8.6508 117.8980 59.4978 34.9124 176.2215 71 D 4.8285 8.7843 123.8190 52.2759 40.9374 177.0810 72 R 4.1127 8.4177 114.2958 58.1715 29.5145 176.9686 73 L 4.3320 8.0317 117.8081 54.4022 42.1848 176.1888 74 D 4.5008 8.0089 118.2838 55.4644 38.7123 173.2160 75 N 5.3126 7.9883 115.0754 51.3247 40.8699 174.6254 76 I 3.9791 8.7505 122.4190 61.6139 37.5072 176.7622 77 A 4.7076 8.8899 127.0104 51.9203 20.0929 175.6981 78 Q 4.5491 7.6721 115.1922 53.8436 32.1742 174.0098 79 V 3.8202 8.3695 123.5544 62.6125 32.0922 173.9913 80 P 4.8097 0.0000 0.0000 62.9071 32.4405 175.5409 81 R 5.3926 8.5010 118.4455 54.5591 32.6021 174.8546 82 V 3.9807 8.8762 121.7278 62.5277 32.5592 176.3383 83 G 3.1308 8.5603 115.2868 45.4160 0.0000 172.5900 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 *20 M 8.30 4.44 0.00 1.77 1.91 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 21 K 8.25 3.76 0.00 1.62 1.46 0.00 1.50 0.00 0.00 1.64 0.00 0.00 2.37 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.40 1.05 7.81 22 T 8.84 4.37 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 23 E 6.97 5.09 0.00 1.77 1.81 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 2.22 2.25 0.00 24 W 9.03 5.14 0.00 3.35 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 25 P 0.00 4.40 0.00 2.24 2.34 0.00 3.76 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 1.95 0.00 26 E 8.21 4.18 0.00 2.15 2.17 0.00 0.00 0.00 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 2.36 0.00 27 L 8.18 4.31 0.00 1.98 1.76 0.76 0.64 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 28 V 7.32 3.89 2.12 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 0.82 0.00 0.00 1.05 0.00 0.00 29 G 9.15 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 30 K 7.83 4.35 0.00 1.91 1.74 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.53 7.81 31 S 8.51 4.76 0.00 4.24 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 32 V 8.35 3.62 2.13 0.00 0.00 0.00 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 0.87 0.00 0.00 33 E 8.04 3.88 0.00 2.05 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 0.00 2.38 2.40 0.00 34 E 8.35 3.87 0.00 2.02 1.92 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 2.29 2.31 0.00 35 A 7.96 3.87 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.06 3.71 0.00 1.89 1.79 0.00 1.61 0.00 0.00 1.51 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.53 7.81 37 K 7.88 3.86 0.00 1.81 1.92 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.42 7.81 38 V 7.88 3.56 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 1.06 0.00 0.00 0.96 0.00 0.00 39 I 7.59 3.14 1.52 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.39 0.00 0.00 40 L 7.95 4.15 0.00 1.69 1.68 0.89 0.65 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 41 Q 7.75 4.03 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 42 D 8.01 4.78 0.00 3.24 3.02 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 K 8.35 4.70 0.00 1.95 1.87 0.00 1.87 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.48 7.81 44 P 0.00 4.50 0.00 2.08 2.10 0.00 3.80 0.00 0.00 2.56 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 45 A 7.87 4.41 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 4.24 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.28 4.33 0.00 1.89 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.54 0.00 48 I 8.07 4.78 1.78 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.41 0.78 0.00 0.00 49 I 8.16 4.42 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.56 0.78 0.00 0.00 50 V 8.30 4.53 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 0.77 0.00 0.00 0.84 0.00 0.00 51 L 8.51 4.87 0.00 1.02 1.41 0.74 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.92 0.00 2.13 2.00 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 53 V 8.69 4.00 2.20 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 0.75 0.00 0.00 0.94 0.00 0.00 54 G 8.79 3.82 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 0.00 0.00 0.00 55 T 7.26 4.54 4.32 0.00 0.00 0.00 0.00 0.00 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 56 I 7.98 4.46 1.89 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 1.41 0.62 0.93 0.00 0.00 57 V 7.92 4.65 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 1.00 0.00 0.00 1.07 0.00 0.00 58 T 8.55 4.00 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 1.23 0.00 0.00 59 G 8.50 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.08 4.38 0.00 2.14 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 2.27 2.25 0.00 61 Y 8.46 4.70 0.00 2.91 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 62 R 8.15 4.37 0.00 1.69 1.88 0.00 3.32 0.00 0.00 3.08 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 63 I 8.17 3.50 1.87 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 1.48 0.76 0.90 0.00 0.00 64 D 7.91 4.55 0.00 2.84 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 65 R 7.59 4.91 0.00 1.89 1.87 0.00 2.99 0.00 0.00 3.05 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 66 V 8.38 4.76 1.92 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 0.85 0.00 0.00 0.92 0.00 0.00 67 R 8.67 4.46 0.00 1.74 1.31 0.00 3.34 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 68 L 8.63 4.57 0.00 1.38 1.47 0.79 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 69 F 8.79 4.97 0.00 3.02 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 70 V 8.65 5.02 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 0.76 0.00 0.00 1.02 0.00 0.00 71 D 8.78 4.83 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 72 R 8.42 4.11 0.00 1.95 2.11 0.00 3.03 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 73 L 8.03 4.33 0.00 1.81 1.74 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.01 4.50 0.00 2.97 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 75 N 7.99 5.31 0.00 3.03 2.79 0.00 0.00 7.03 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.75 3.98 2.07 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 1.40 0.97 0.98 0.00 0.00 77 A 8.89 4.71 1.31 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 0.00 0.00 78 Q 7.67 4.55 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 79 V 8.37 3.82 2.15 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 0.96 0.00 0.00 0.98 0.00 0.00 80 P 0.00 4.81 0.00 2.31 1.96 0.00 4.02 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 81 R 8.50 5.39 0.00 1.88 1.98 0.00 3.13 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 82 V 8.88 3.98 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 0.76 0.00 0.00 1.17 0.00 0.00 83 G 8.56 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.