NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.1839 7.9133 120.6677 62.9262 33.1755 173.9951 3 D 5.4524 8.4205 125.3673 52.5232 45.4059 172.7924 4 Y 4.9734 8.9681 117.0075 56.5640 43.3721 173.6322 5 I 4.9960 8.5830 121.9379 58.8746 40.9183 174.9692 6 V 3.8796 8.4397 129.8292 63.7512 31.8648 175.7715 7 E 4.1824 9.6403 129.5957 58.0976 30.4988 175.8172 8 Y 4.8381 8.0407 114.5955 55.7040 41.2256 175.4123 9 D 4.9545 9.0077 122.9882 55.6149 42.0697 175.4159 10 Y 4.8662 9.4042 121.7874 56.5364 42.8571 173.0241 11 D 5.0693 7.6587 125.6701 51.9330 42.8152 175.9610 12 A 4.3915 8.1371 125.8238 52.9007 18.5401 177.3963 13 V 4.1544 9.3194 119.7046 62.8670 33.3914 174.9010 14 H 5.0175 7.7801 114.8697 54.2379 32.9002 173.6677 15 D 4.3550 8.9944 120.9013 57.9972 40.4426 178.2536 16 D 4.5985 8.0958 114.9266 54.1766 39.4823 174.8287 17 E 5.0137 7.8324 119.7298 55.3767 31.0833 175.8046 18 L 4.6424 8.8393 123.3083 54.3449 43.5642 176.1178 19 T 4.9381 8.4430 118.0664 62.1454 70.0543 174.2438 20 I 4.9155 9.3827 119.8681 59.1609 41.3307 174.6064 21 R 5.2690 9.1935 122.7199 54.0264 33.9988 175.3660 22 V 3.8560 9.4462 122.4576 65.0710 31.7627 176.7529 23 G 3.9943 9.0296 115.5556 45.5096 0.0000 173.3358 24 E 4.3438 7.9443 119.2566 56.3562 31.1110 175.7451 25 I 5.0323 8.1250 120.6553 59.7084 40.6560 175.2751 26 I 4.5343 8.5699 127.3953 59.7775 39.2446 175.0163 27 R 4.7321 8.3786 126.4575 54.4359 32.2054 175.1873 28 N 4.2392 8.6351 119.0811 54.5335 36.5282 173.2915 29 V 4.4064 8.2777 118.2372 62.0200 32.7611 175.8877 30 K 4.5539 9.1675 128.1758 54.9888 34.8824 175.9250 31 K 4.4233 8.4523 124.5505 54.9613 31.9778 175.8388 32 L 4.3938 8.0684 126.7764 53.1309 43.1788 177.1013 33 Q 4.0661 8.7881 118.2106 59.2828 28.5720 178.1544 34 E 3.7854 7.9804 115.7940 56.6976 30.1156 175.3792 35 E 4.4952 8.8812 125.6782 55.7561 31.3384 176.7706 36 G 4.4774 8.9367 113.4436 45.0973 0.0000 172.4252 37 W 4.7774 7.2533 116.7059 54.9838 32.4135 174.9230 38 L 4.3804 8.2840 119.5946 53.3726 46.2175 174.4861 39 E 5.5613 8.1399 123.0404 54.2480 31.7703 174.8916 40 G 4.3490 8.9992 114.7886 44.9607 0.0000 169.6664 41 E 5.3716 8.3486 118.4249 54.4228 33.2921 175.9824 42 L 4.4790 9.2899 127.9030 55.0188 45.4196 175.0818 43 N 4.3721 9.8500 122.2436 54.4800 35.9507 175.1728 44 G 3.9936 9.0313 104.8080 45.1798 0.0000 173.9461 45 R 4.8127 7.8806 114.6894 54.4421 33.3878 174.0742 46 R 5.5562 7.9312 118.2685 54.3846 33.0157 175.3942 47 G 4.2212 8.3778 107.8779 46.3037 0.0000 171.5701 48 M 5.3386 9.7226 120.4732 54.6160 34.2865 175.8688 49 F 5.0481 8.6523 113.1877 55.0146 41.6509 171.6161 50 P 3.4403 0.0000 0.0000 62.5617 31.4427 176.8794 51 D 4.2981 9.3635 125.3749 55.0192 39.6328 176.8739 52 N 4.7813 7.9502 116.7738 53.0835 37.7839 175.0867 53 F 4.8248 8.1685 115.0186 58.0480 41.0786 174.6969 54 V 5.0887 7.7691 111.2324 59.7306 36.0807 174.3408 55 K 4.7672 8.7511 121.2654 55.2055 35.5536 175.0989 56 E 3.3882 8.7998 128.1524 55.5523 30.6246 175.2797 57 I 4.1767 8.1603 127.0706 59.3268 39.0397 173.5597 58 K 4.3621 8.6461 129.3229 57.2904 32.2698 176.9618 *59 R 4.1415 8.9869 127.8050 57.3343 30.0213 175.5568 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 2 V 7.91 4.18 2.24 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 1.06 0.00 0.00 0.98 0.00 0.00 3 D 8.42 5.45 0.00 2.73 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Y 8.97 4.97 0.00 2.86 2.89 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 5 I 8.58 5.00 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 1.35 1.76 0.98 0.00 0.00 6 V 8.44 3.88 2.25 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 1.09 0.00 0.00 0.94 0.00 0.00 7 E 9.64 4.18 0.00 2.23 2.45 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 2.50 2.21 0.00 8 Y 8.04 4.84 0.00 2.62 2.79 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 9 D 9.01 4.95 0.00 2.67 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 10 Y 9.40 4.87 0.00 2.96 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 11 D 7.66 5.07 0.00 2.33 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 0.00 0.00 0.00 0.00 12 A 8.14 4.39 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 13 V 9.32 4.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.93 0.00 0.00 14 H 7.78 5.02 0.00 3.22 3.04 0.00 5.69 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.99 4.35 0.00 2.66 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 16 D 8.10 4.60 0.00 2.83 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 17 E 7.83 5.01 0.00 2.24 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 0.00 2.31 2.18 0.00 18 L 8.84 4.64 0.00 1.64 1.64 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.44 4.94 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 1.31 0.00 0.00 20 I 9.38 4.92 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 1.42 1.37 0.81 0.00 0.00 21 R 9.19 5.27 0.00 1.81 1.83 0.00 3.36 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 22 V 9.45 3.86 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.96 0.00 0.00 23 G 9.03 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 0.00 0.00 0.00 24 E 7.94 4.34 0.00 2.11 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 25 I 8.12 5.03 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 1.35 0.88 0.97 0.00 0.00 26 I 8.57 4.53 1.75 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.73 0.73 0.00 0.00 27 R 8.38 4.73 0.00 1.77 1.86 0.00 3.30 0.00 0.00 3.21 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.42 0.00 28 N 8.64 4.24 0.00 2.88 2.87 0.00 0.00 6.95 7.71 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 29 V 8.28 4.41 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.34 0.00 0.00 30 K 9.17 4.55 0.00 1.74 1.70 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.41 7.81 31 K 8.45 4.42 0.00 1.73 1.73 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.41 7.81 32 L 8.07 4.39 0.00 1.64 1.58 0.91 1.02 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 33 Q 8.79 4.07 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 34 E 7.98 3.79 0.00 1.85 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 1.94 2.24 0.00 35 E 8.88 4.50 0.00 2.05 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 2.33 2.29 0.00 36 G 8.94 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 W 7.25 4.78 0.00 3.06 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 38 L 8.28 4.38 0.00 0.27 0.81 0.49 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.14 5.56 0.00 2.04 1.79 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 2.28 2.29 0.00 40 G 9.00 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 0.00 0.00 0.00 0.00 41 E 8.35 5.37 0.00 2.06 1.86 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 2.27 2.39 0.00 42 L 9.29 4.48 0.00 1.58 1.39 0.93 0.58 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 43 N 9.85 4.37 0.00 2.92 2.89 0.00 0.00 7.20 7.65 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 44 G 9.03 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 0.00 0.00 0.00 45 R 7.88 4.81 0.00 1.86 1.99 0.00 2.75 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 46 R 7.93 5.56 0.00 1.72 1.94 0.00 3.33 0.00 0.00 3.91 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.47 0.00 47 G 8.38 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 0.00 0.00 0.00 0.00 48 M 9.72 5.34 0.00 1.81 1.92 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.73 0.00 49 F 8.65 5.05 0.00 2.87 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 3.44 0.00 1.20 0.49 0.00 2.82 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.44 0.00 51 D 9.36 4.30 0.00 2.72 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 7.95 4.78 0.00 2.75 2.88 0.00 0.00 5.86 7.43 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 53 F 8.17 4.82 0.00 3.01 3.15 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 54 V 7.77 5.09 2.36 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 0.84 0.00 0.00 1.00 0.00 0.00 55 K 8.75 4.77 0.00 2.07 1.64 0.00 1.81 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.41 7.81 56 E 8.80 3.39 0.00 1.51 1.62 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 0.00 2.02 1.68 0.00 57 I 8.16 4.18 1.78 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 1.19 0.78 0.86 0.00 0.00 58 K 8.65 4.36 0.00 1.69 0.77 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.31 7.81 *59 R 8.99 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.