NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9349 8.3393 109.7355 45.6632 0.0000 173.5180 2 S 4.3800 7.9349 117.3511 56.1168 66.3876 175.2099 3 I 3.8265 8.2393 123.4830 64.4836 37.2728 179.7713 4 I 3.6571 7.6512 119.0133 64.3019 37.8746 177.6470 5 N 4.4125 7.9116 117.0714 56.2414 38.3098 177.3871 6 E 3.9644 8.5842 120.5431 59.4974 29.4789 179.5537 7 T 3.8484 8.1823 115.7824 66.5138 68.5352 176.5630 8 A 4.0044 7.9073 122.5614 55.4177 18.3563 179.4032 9 D 4.3375 8.3782 117.5869 57.3779 40.7640 178.5898 10 D 4.3669 8.2206 118.5760 57.4611 41.3014 178.3401 11 I 3.7019 7.8770 120.2607 64.4297 37.1611 178.6343 12 V 3.5790 7.9659 119.0372 66.0353 31.3605 177.3692 13 Y 4.0448 8.3979 119.5487 60.8858 38.5854 178.1719 14 R 3.7661 8.2730 119.0314 59.3962 30.1292 179.1538 15 L 4.0519 7.9585 118.4560 57.7052 41.5497 179.6594 16 T 3.8074 7.8009 116.1526 66.3212 68.3088 176.8149 17 V 3.4210 7.4499 120.2102 65.9198 31.5265 178.1477 18 I 3.6605 7.3796 119.3012 64.4796 36.9287 178.4004 19 I 3.7149 7.9455 120.8231 64.5872 36.8593 178.2283 20 D 4.4358 8.4954 119.9853 57.5019 40.6415 178.6234 21 D 4.3643 8.2395 119.3197 57.5665 40.8578 179.1653 22 R 3.9540 8.1087 118.5647 59.1185 29.9388 178.4592 23 Y 4.0860 8.2873 119.5436 60.8741 38.7790 178.0147 24 E 3.5678 8.4673 119.7208 59.2960 29.5239 179.3543 25 S 4.0054 7.9615 113.0855 61.3977 62.3811 176.2980 26 L 3.9386 7.9197 121.6885 57.4070 41.3321 179.2716 27 K 3.7072 7.9424 119.9601 59.6725 32.0005 178.6080 28 N 4.2848 8.2094 116.8751 56.0433 38.3049 177.2646 29 L 3.8950 7.8839 121.7718 58.1831 42.1790 179.0158 30 I 3.6709 7.9389 120.0310 64.7060 36.9537 178.5628 31 T 3.8184 7.9589 116.4562 66.4349 68.3074 176.4079 32 L 3.9117 8.0992 122.3951 58.4198 42.1801 179.3519 33 R 3.9435 8.3322 118.0609 59.0564 29.9722 178.9679 34 A 4.0073 8.2564 120.8661 55.1626 18.3980 179.3714 35 D 4.3185 8.3494 117.6458 57.6048 40.8097 179.2654 36 R 3.9385 8.0556 118.4590 59.2542 29.9968 179.1160 37 L 3.9799 8.0260 118.7153 57.8251 41.5598 179.4381 38 E 3.9378 8.2835 118.5137 59.5047 29.3417 179.0505 39 M 4.0049 8.0961 118.1454 58.7975 32.2835 178.3850 40 I 3.7296 8.0227 120.1596 64.3724 37.1678 178.5682 41 I 3.7006 7.9938 120.8070 64.3662 36.9029 178.2070 42 N 4.3053 8.5088 117.6749 56.3969 38.4188 176.9725 43 D 4.3694 8.3901 120.5219 57.7357 40.9524 178.8672 44 N 4.3539 8.3174 116.7877 56.3077 38.4403 177.7667 45 V 3.5734 8.1234 120.0158 65.9971 31.6500 178.0511 46 S 4.0742 8.3121 113.0617 61.5515 61.9522 176.3370 47 T 3.8565 7.6610 117.7108 66.5718 68.4979 176.4221 48 I 3.8551 7.8926 121.7089 64.5571 36.9787 178.5980 49 L 4.0223 8.2193 119.6446 57.5390 41.1953 179.0298 50 A 4.0241 7.8763 118.9900 53.7098 18.6697 178.6189 51 S 4.5420 9.2126 114.3941 59.0803 63.6400 174.9177 *52 I 3.5883 6.8220 124.2195 59.3535 37.5156 178.5454 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 G 8.34 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 2 S 7.93 4.38 0.00 4.07 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 3 I 8.24 3.83 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 1.52 0.55 0.91 0.00 0.00 4 I 7.65 3.66 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 1.64 1.23 0.91 0.00 0.00 5 N 7.91 4.41 0.00 2.92 2.84 0.00 0.00 7.09 7.36 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 6 E 8.58 3.96 0.00 2.13 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 2.31 2.54 0.00 7 T 8.18 3.85 4.40 0.00 0.00 0.00 0.00 0.00 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 8 A 7.91 4.00 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.38 4.34 0.00 2.92 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 10 D 8.22 4.37 0.00 2.85 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 11 I 7.88 3.70 2.02 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 1.42 0.54 0.92 0.00 0.00 12 V 7.97 3.58 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 1.02 0.00 0.00 0.99 0.00 0.00 13 Y 8.40 4.04 0.00 3.15 3.16 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 14 R 8.27 3.77 0.00 2.00 1.96 0.00 3.21 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.95 0.00 15 L 7.96 4.05 0.00 1.79 1.69 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.80 3.81 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 1.19 0.00 0.00 17 V 7.45 3.42 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 0.99 0.00 0.00 0.37 0.00 0.00 18 I 7.38 3.66 1.98 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 1.69 0.86 0.90 0.00 0.00 19 I 7.95 3.71 1.97 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 1.51 0.71 0.89 0.00 0.00 20 D 8.50 4.44 0.00 2.88 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 21 D 8.24 4.36 0.00 2.84 2.71 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 22 R 8.11 3.95 0.00 1.87 1.99 0.00 3.29 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.78 0.00 23 Y 8.29 4.09 0.00 3.09 3.24 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 24 E 8.47 3.57 0.00 2.11 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 2.67 2.51 0.00 25 S 7.96 4.01 0.00 3.87 3.98 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 26 L 7.92 3.94 0.00 1.79 1.64 0.94 0.88 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 27 K 7.94 3.71 0.00 1.16 1.59 0.00 1.60 0.00 0.00 1.37 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.34 7.81 28 N 8.21 4.28 0.00 2.83 2.80 0.00 0.00 6.73 7.60 0.00 0.00 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 L 7.88 3.90 0.00 1.81 1.77 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.94 3.67 1.96 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 1.50 0.50 0.90 0.00 0.00 31 T 7.96 3.82 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 1.19 0.00 0.00 32 L 8.10 3.91 0.00 1.80 1.86 0.91 1.27 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 33 R 8.33 3.94 0.00 1.83 1.95 0.00 3.33 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.78 0.00 34 A 8.26 4.01 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.35 4.32 0.00 2.93 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 36 R 8.06 3.94 0.00 2.04 1.97 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 37 L 8.03 3.98 0.00 1.85 1.71 0.92 0.73 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 38 E 8.28 3.94 0.00 2.17 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 2.51 0.00 39 M 8.10 4.00 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 40 I 8.02 3.73 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 1.52 0.52 0.91 0.00 0.00 41 I 7.99 3.70 2.04 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 1.52 0.83 0.91 0.00 0.00 42 N 8.51 4.31 0.00 2.84 2.86 0.00 0.00 7.06 7.64 0.00 0.00 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 D 8.39 4.37 0.00 2.98 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 44 N 8.32 4.35 0.00 2.80 2.86 0.00 0.00 6.75 7.33 0.00 0.00 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 V 8.12 3.57 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 1.07 0.00 0.00 0.97 0.00 0.00 46 S 8.31 4.07 0.00 3.99 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 47 T 7.66 3.86 4.41 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 1.21 0.00 0.00 48 I 7.89 3.86 2.01 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 1.52 0.72 0.91 0.00 0.00 49 L 8.22 4.02 0.00 1.67 1.72 0.92 1.14 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 50 A 7.88 4.02 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 51 S 9.21 4.54 0.00 3.98 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 *52 I 6.82 3.59 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 1.16 0.42 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.