NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3673 8.1233 123.5837 51.7225 19.3186 177.4025 5 L 3.8720 8.4385 123.8377 58.0614 41.5898 177.9265 6 L 3.9428 8.7252 119.8639 57.8418 42.0301 179.4083 7 R 3.9989 7.9118 117.4894 59.3119 30.1785 178.7975 8 Q 3.9762 8.1935 117.6112 58.8757 28.6309 178.6456 9 A 3.6382 8.6942 122.6749 55.2630 18.3996 178.6852 10 Y 4.2078 8.1262 117.7308 61.1398 38.6158 178.7773 11 S 3.9437 8.4019 114.2623 61.6475 63.0984 176.3969 12 A 4.0452 8.1078 122.2361 54.3832 18.1708 178.1066 13 L 4.2355 8.1415 117.0775 56.6272 42.7412 178.8144 14 F 5.0919 7.1707 113.8307 58.9915 39.0414 176.8432 15 R 3.5916 7.1170 121.5980 58.5815 30.4694 176.5146 16 R 4.1074 7.6127 116.8672 56.0945 31.4613 177.1642 17 T 3.9596 8.8252 123.8497 66.9401 68.3787 176.4088 18 S 4.1613 8.0287 115.8228 61.8218 63.1953 176.6260 19 T 3.9634 7.9079 113.4528 63.9290 68.6774 176.1277 20 F 4.2302 8.5624 124.9723 60.6732 39.4265 177.0032 21 A 4.1813 8.2327 120.1396 55.0378 18.0941 179.3422 22 L 3.9277 7.9873 118.9903 58.6621 42.1160 179.4277 23 T 3.8309 8.0911 115.9762 66.2602 68.2885 177.0591 24 V 3.4515 7.4923 120.0785 65.9127 31.5316 178.1423 25 V 3.5269 7.8625 117.9901 66.0786 31.3726 177.7321 26 L 4.0435 8.3664 120.3991 58.0385 41.7766 179.3700 27 G 3.5765 8.1523 105.7624 47.5721 0.0000 175.6998 28 A 4.0421 8.4291 123.7115 54.7678 18.2799 179.7238 29 V 3.5767 8.0215 116.9660 66.4268 31.6842 178.3743 30 L 4.0569 7.8372 118.3318 57.5903 41.4015 179.2449 31 F 4.1741 8.5547 121.0660 61.1224 39.2345 176.6534 32 E 3.9515 8.7468 119.3579 59.3055 29.3694 178.3809 33 R 3.8591 7.7479 118.5113 59.6228 30.0926 178.2171 34 A 3.8879 7.8208 119.7407 55.2492 18.4960 179.2520 35 F 3.7980 8.3741 119.3903 61.4153 39.1698 177.1869 36 D 4.1454 8.3585 118.6369 57.3626 40.6083 178.4545 37 Q 4.0478 7.7581 118.7082 59.0786 28.7180 179.6110 38 G 3.4181 8.0018 106.1301 47.5454 0.0000 175.5155 39 A 3.7609 7.5406 123.4061 54.9259 18.2996 179.3639 40 D 4.3211 8.2581 117.3972 57.4413 40.9135 178.8391 41 A 4.0038 8.1788 121.3607 55.3522 18.3997 179.7302 42 I 3.6342 8.1085 118.4971 64.5108 36.9904 178.3943 43 F 4.0135 8.3939 120.4339 61.4425 39.4364 176.7272 44 E 4.1072 8.6584 118.4653 59.5916 29.0492 178.7337 45 H 4.0929 8.0616 117.3674 59.1982 30.0660 176.8241 46 L 4.1569 7.7595 118.0708 55.8537 42.2490 176.5881 47 N 4.9673 8.0979 117.2824 51.9243 39.5079 174.6244 48 E 3.9047 8.1582 117.2892 57.8635 30.2778 177.8616 49 G 4.0033 8.7094 110.1960 46.2794 0.0000 173.9969 50 K 4.4008 7.8562 119.5273 56.7970 33.8629 177.2272 51 L 4.4009 7.4648 118.1388 53.4989 42.6971 177.4252 52 W 4.3768 8.9217 130.7430 60.6803 30.2602 178.1604 53 K 3.9208 8.1756 118.3979 59.6252 31.5675 177.9816 54 H 4.4776 8.2144 116.3113 58.4094 29.2909 177.1672 55 I 3.7992 7.4322 112.8491 61.6728 38.0876 177.2669 56 K 2.4800 7.4614 123.1122 59.7350 30.3758 177.7123 57 H 4.1177 7.7353 114.4167 58.6687 27.9729 177.4365 58 K 3.9337 7.5064 120.3048 58.4069 31.7666 177.0519 59 Y 4.4932 6.8890 113.3585 57.3576 39.6260 175.4891 60 E 4.2206 7.9334 120.6906 56.3350 28.6216 175.3415 61 A 4.8941 7.8393 129.2919 51.7725 19.6766 175.8266 62 S 4.0073 8.2276 118.0832 61.4566 63.9144 176.0938 *63 E 4.1354 7.8774 122.1136 55.1212 30.1640 177.6984 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 4 A 8.12 4.37 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 5 L 8.44 3.87 0.00 1.80 1.74 0.93 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.73 3.94 0.00 1.72 1.79 0.96 1.06 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 7 R 7.91 4.00 0.00 2.01 2.01 0.00 3.13 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 8 Q 8.19 3.98 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.67 0.00 9 A 8.69 3.64 1.16 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 0.00 0.00 10 Y 8.13 4.21 0.00 3.29 3.23 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 11 S 8.40 3.94 0.00 3.92 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 8.11 4.05 1.24 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 0.00 0.00 0.00 13 L 8.14 4.24 0.00 0.56 1.37 0.62 -0.08 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 14 F 7.17 5.09 0.00 3.08 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.12 3.59 0.00 1.38 1.66 0.00 3.14 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.35 0.00 16 R 7.61 4.11 0.00 1.90 1.78 0.00 3.26 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.71 0.00 17 T 8.83 3.96 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 1.17 0.00 0.00 18 S 8.03 4.16 0.00 4.06 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 19 T 7.91 3.96 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 1.20 0.00 0.00 20 F 8.56 4.23 0.00 3.23 3.25 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 21 A 8.23 4.18 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.99 3.93 0.00 1.90 1.78 0.93 0.87 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 23 T 8.09 3.83 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 1.18 0.00 0.00 24 V 7.49 3.45 2.23 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 0.95 0.00 0.00 0.85 0.00 0.00 25 V 7.86 3.53 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 1.02 0.00 0.00 0.98 0.00 0.00 26 L 8.37 4.04 0.00 1.83 1.68 0.93 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.15 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.43 4.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 3.58 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 1.05 0.00 0.00 1.00 0.00 0.00 30 L 7.84 4.06 0.00 1.76 1.74 0.97 1.46 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 31 F 8.55 4.17 0.00 3.20 3.22 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 32 E 8.75 3.95 0.00 2.26 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 0.00 2.50 2.41 0.00 33 R 7.75 3.86 0.00 1.89 2.08 0.00 3.15 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 34 A 7.82 3.89 1.32 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 0.00 0.00 0.00 35 F 8.37 3.80 0.00 1.86 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.36 4.15 0.00 2.76 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.76 4.05 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 38 G 8.00 3.42 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 0.00 39 A 7.54 3.76 0.95 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 0.00 0.00 40 D 8.26 4.32 0.00 2.71 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 41 A 8.18 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.11 3.63 2.04 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.10 0.94 0.00 0.00 43 F 8.39 4.01 0.00 3.06 3.26 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 0.00 44 E 8.66 4.11 0.00 2.11 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 0.00 2.49 2.77 0.00 45 H 8.06 4.09 0.00 3.20 3.46 0.00 5.75 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.76 4.16 0.00 1.60 1.54 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.10 4.97 0.00 2.47 2.56 0.00 0.00 6.90 8.35 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 48 E 8.16 3.90 0.00 1.87 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 2.38 2.16 0.00 49 G 8.71 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 0.00 0.00 0.00 50 K 7.86 4.40 0.00 1.79 1.87 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.57 7.81 51 L 7.46 4.40 0.00 1.41 1.58 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 52 W 8.92 4.38 0.00 3.43 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 53 K 8.18 3.92 0.00 1.84 1.80 0.00 1.88 0.00 0.00 1.90 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.58 7.81 54 H 8.21 4.48 0.00 3.23 3.27 0.00 5.72 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.43 3.80 1.89 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 1.48 0.42 0.92 0.00 0.00 56 K 7.46 2.48 0.00 0.79 1.38 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.37 1.28 7.81 57 H 7.74 4.12 0.00 3.34 3.49 0.00 5.71 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.51 3.93 0.00 0.79 1.02 0.00 1.51 0.00 0.00 1.51 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.31 7.81 59 Y 6.89 4.49 0.00 3.17 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 4.22 0.00 2.06 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 0.00 2.33 2.29 0.00 61 A 7.84 4.89 1.24 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 0.00 0.00 0.00 62 S 8.23 4.01 0.00 4.01 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 *63 E 7.88 4.14 0.00 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.