NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 E 4.2530 8.4331 120.2244 56.3788 30.8437 174.2123 25 G 3.9624 7.6828 108.2105 42.7104 0.0000 171.8353 26 L 4.4109 9.0918 120.5336 55.2320 43.3006 175.7470 27 R 4.8119 8.9643 121.2382 54.1111 33.9195 174.8146 28 Q 3.4415 8.6777 124.4331 55.8917 29.9825 175.2691 29 V 4.2792 8.3444 127.0902 61.4646 32.3366 175.6707 30 T 4.1568 8.4780 118.4434 62.1245 69.9456 174.9531 31 G 3.7893 8.7427 109.9083 45.7289 0.0000 173.2960 32 V 4.0294 7.5674 119.6210 61.9027 31.5456 175.4486 33 T 4.4358 8.3717 117.5340 62.9705 70.7129 174.4549 34 R 4.8874 7.7002 120.2491 54.9950 33.3830 174.1681 35 V 4.6445 8.8477 125.3483 61.2410 34.6469 174.2657 36 T 5.2711 8.5361 116.3647 60.0247 72.1301 173.1100 37 I 4.5911 8.7267 123.5820 59.6925 40.9949 174.1013 38 R 4.9967 8.8015 127.7987 54.7765 31.5010 174.8771 39 K 4.4363 9.0603 128.5590 55.9294 33.8556 176.4550 40 S 3.6243 8.7796 123.4764 59.6030 61.6951 172.8761 41 K 4.0992 8.8701 122.2471 60.2070 32.3736 177.9633 42 N 4.9451 8.0592 112.9713 52.8962 41.0720 174.0369 43 I 4.4400 7.7198 121.2493 59.7141 39.2681 174.5157 44 L 5.0945 8.4107 128.6272 53.0898 44.8601 175.2790 45 F 4.6755 9.2991 126.8291 57.2952 40.2727 174.8456 46 V 4.7622 9.3169 124.0615 61.2581 34.2778 174.2753 47 I 4.7312 8.8775 129.7825 59.5416 38.2154 174.9120 48 T 4.1121 8.5298 125.6736 64.2012 69.1212 175.2534 49 K 3.8104 7.7554 124.2368 55.1487 29.2843 172.3753 50 P 4.9309 0.0000 0.0000 62.8157 33.5670 177.0041 51 D 5.0845 9.4236 121.1548 52.6977 43.4463 175.5467 52 V 5.0906 8.3813 122.6479 61.3696 34.6129 173.6877 53 Y 5.1147 9.3680 124.6430 56.0561 42.1022 174.3665 54 K 4.6506 9.1574 122.7340 54.4434 36.0498 174.9721 55 S 4.5131 8.3363 121.6826 57.1931 62.6943 173.3066 56 P 4.1387 0.0000 0.0000 65.1207 31.2946 177.1091 57 A 4.3438 7.8077 119.1087 52.9798 19.3601 176.1240 58 S 4.6049 7.3887 108.7153 57.4327 66.3025 173.1812 59 D 4.7843 8.3422 118.6249 55.2466 40.8688 176.7682 60 T 4.7722 7.5929 113.1906 60.5047 70.6291 172.1741 61 Y 5.1736 8.8892 125.2567 56.2495 41.6201 174.7548 62 I 4.5668 8.9146 123.8913 59.5768 39.9350 174.5771 63 V 4.8798 8.5948 126.9593 61.1189 33.4745 174.1885 64 F 4.8828 10.5235 130.8819 55.1739 41.7090 174.8235 65 G 4.1022 7.4415 117.9025 44.3550 0.0000 171.6148 66 E 3.7521 8.0983 121.7144 56.0876 30.1082 175.7894 67 A 4.9808 8.4193 127.4513 50.3210 21.0559 175.9475 68 K 4.6233 9.0605 122.0655 54.7911 35.2796 175.2960 69 I 4.7360 8.1278 122.9176 59.7754 39.1663 174.9759 70 E 4.6879 8.9719 125.2071 54.5050 34.1110 174.4416 71 D 4.9756 8.4077 122.2278 52.7651 41.8844 177.1760 72 L 4.0811 8.8944 128.2235 57.3721 41.7739 178.6792 73 S 4.3295 8.1216 111.6461 59.0593 63.5407 174.1748 74 Q 4.0623 7.8320 123.9162 56.0105 29.1503 174.9838 75 Q 4.6390 8.2673 123.0544 53.4044 31.8451 175.0580 76 A 3.9797 8.2682 124.3521 53.0412 19.0674 178.4820 *77 Q 4.1432 8.4551 117.5891 55.2918 28.8867 175.8826 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 24 E 8.43 4.25 0.00 1.96 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 2.21 2.25 0.00 25 G 7.68 3.96 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 0.00 0.00 0.00 26 L 9.09 4.41 0.00 1.50 1.75 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.96 4.81 0.00 1.70 1.76 0.00 3.11 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 28 Q 8.68 3.44 0.00 1.68 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.81 0.00 0.00 0.00 0.00 0.00 2.00 1.49 0.00 29 V 8.34 4.28 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 0.88 0.00 0.00 1.00 0.00 0.00 30 T 8.48 4.16 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 31 G 8.74 3.79 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 0.00 32 V 7.57 4.03 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 0.86 0.00 0.00 0.93 0.00 0.00 33 T 8.37 4.44 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 34 R 7.70 4.89 0.00 1.80 1.78 0.00 3.17 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 35 V 8.85 4.64 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 0.88 0.00 0.00 0.93 0.00 0.00 36 T 8.54 5.27 4.27 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 1.22 0.00 0.00 37 I 8.73 4.59 1.95 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.71 0.85 0.00 0.00 38 R 8.80 5.00 0.00 1.84 1.86 0.00 3.22 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 39 K 9.06 4.44 0.00 2.17 1.76 0.00 2.03 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.51 7.81 40 S 8.78 3.62 0.00 4.04 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 41 K 8.87 4.10 0.00 1.97 1.82 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.03 7.81 42 N 8.06 4.95 0.00 2.63 2.90 0.00 0.00 7.04 7.47 0.00 0.00 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 I 7.72 4.44 2.01 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.58 0.54 0.00 0.00 44 L 8.41 5.09 0.00 1.78 1.46 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 45 F 9.30 4.68 0.00 3.02 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 46 V 9.32 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 1.08 0.00 0.00 0.99 0.00 0.00 47 I 8.88 4.73 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 1.19 0.62 0.88 0.00 0.00 48 T 8.53 4.11 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 1.22 0.00 0.00 49 K 7.76 3.81 0.00 1.92 1.67 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.23 7.81 50 P 0.00 4.93 0.00 2.12 2.10 0.00 3.79 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 2.14 2.01 0.00 51 D 9.42 5.08 0.00 2.88 2.90 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 52 V 8.38 5.09 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 1.03 0.00 0.00 0.99 0.00 0.00 53 Y 9.37 5.11 0.00 2.97 2.83 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 0.00 0.00 0.00 54 K 9.16 4.65 0.00 1.51 1.41 0.00 1.42 0.00 0.00 1.39 0.00 0.00 2.63 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.73 0.21 7.81 55 S 8.34 4.51 0.00 3.92 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 56 P 0.00 4.14 0.00 2.06 2.09 0.00 3.69 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.07 0.00 57 A 7.81 4.34 1.25 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 0.00 0.00 0.00 58 S 7.39 4.60 0.00 3.90 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 59 D 8.34 4.78 0.00 2.72 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 60 T 7.59 4.77 4.26 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 1.18 0.00 0.00 61 Y 8.89 5.17 0.00 2.82 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 62 I 8.91 4.57 1.98 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 1.13 0.76 0.98 0.00 0.00 63 V 8.59 4.88 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 0.81 0.00 0.00 0.98 0.00 0.00 64 F 10.52 4.88 0.00 3.20 2.92 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 65 G 7.44 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.10 3.75 0.00 1.86 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 2.26 2.28 0.00 67 A 8.42 4.98 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 0.00 0.00 0.00 0.00 0.00 68 K 9.06 4.62 0.00 1.68 1.68 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.38 7.81 69 I 8.13 4.74 1.73 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.65 0.60 0.00 0.00 70 E 8.97 4.69 0.00 1.81 1.75 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 2.18 2.18 0.00 71 D 8.41 4.98 0.00 2.71 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.89 4.08 0.00 1.75 1.71 0.91 0.93 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 73 S 8.12 4.33 0.00 3.98 4.17 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 0.00 0.00 0.00 74 Q 7.83 4.06 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 75 Q 8.27 4.64 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.51 0.00 76 A 8.27 3.98 1.23 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 0.00 0.00 0.00 *77 Q 8.46 4.14 0.00 1.83 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.60 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.