NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9039 8.3393 109.7346 45.1281 0.0000 173.5210 2 S 4.2000 8.1513 114.1201 57.3259 64.9283 173.4809 3 I 3.6547 8.3885 123.0456 64.7855 37.3220 179.8040 4 I 3.7316 7.6841 118.8047 63.9093 37.8671 177.2933 5 N 4.3295 8.0428 117.8105 56.6896 38.8336 176.8086 6 E 3.9887 8.5011 120.3530 59.6685 29.4586 179.5186 7 T 3.8883 8.1014 115.6264 66.4361 68.4577 176.6100 8 A 3.9915 8.0937 122.6914 55.3787 18.3558 179.3898 9 D 4.3274 8.2458 117.3895 57.4764 40.7647 178.6270 10 D 4.3745 8.1743 118.5154 57.3745 41.2716 178.3483 11 I 3.7055 7.9663 120.4231 64.4381 37.1380 178.6376 12 V 3.5901 8.0036 119.1286 66.0080 31.3696 177.3624 13 Y 4.0427 8.3908 119.5765 60.8739 38.7387 178.2346 14 R 3.7959 8.3124 119.0820 59.3944 30.1535 179.1662 15 L 4.0676 7.9823 118.5002 57.7365 41.5673 179.6751 16 T 3.8345 7.8588 116.1718 66.3912 68.2885 176.8648 17 V 3.4541 7.4934 120.2212 65.8638 31.5038 178.2119 18 I 3.6637 7.4727 118.9994 64.4499 36.9164 178.4508 19 I 3.7189 8.0252 120.9644 64.5425 36.8587 178.2473 20 D 4.4312 8.5410 120.0374 57.4685 40.6461 178.6189 21 D 4.3656 8.2729 119.3743 57.5736 40.8632 179.1599 22 R 3.9587 8.0886 118.5610 59.1364 29.9510 178.4470 23 Y 4.0910 8.3047 119.5829 60.8878 38.7700 178.0624 24 E 3.6218 8.5336 119.7407 59.3748 29.5390 179.6129 25 S 4.0553 8.0269 115.1153 61.5916 62.8259 176.8008 26 L 3.9399 7.9118 121.6626 57.4501 41.3394 179.3860 27 K 3.7074 7.9560 119.9603 59.6418 31.9935 178.6063 28 N 4.2853 8.2800 117.0186 56.0360 38.3019 177.2595 29 L 3.8932 7.9535 121.7342 58.1880 42.1919 179.0222 30 I 3.6663 7.9038 119.9765 64.7576 36.9556 178.6076 31 T 3.8328 7.9701 116.4884 66.3695 68.2799 176.5305 32 L 3.9099 8.1279 122.4541 58.3523 42.2057 179.3346 33 R 3.9242 8.2712 118.0496 59.1287 29.9800 178.9754 34 A 4.0109 8.2283 120.7660 55.2216 18.3730 179.3957 35 D 4.3094 8.3673 117.7192 57.5423 40.7930 179.0759 36 R 3.9244 8.1295 119.2227 59.2649 30.0076 178.5288 37 L 3.9764 8.0351 118.9209 57.8640 41.5135 179.3692 38 E 3.9545 8.2595 118.5922 59.4196 29.3552 179.0611 39 M 4.0046 8.0779 118.3260 58.6304 32.2386 178.3840 40 I 3.6802 7.9668 120.0522 64.5015 37.2573 178.4385 41 I 3.6901 7.9077 120.6871 64.4346 37.0162 178.1729 42 N 4.2913 8.4142 117.5172 56.4536 38.4392 176.9926 43 D 4.3233 8.1066 119.2765 57.4282 41.2526 177.9839 44 N 4.3497 8.4723 117.3782 56.2827 38.4426 177.5684 45 V 3.5751 8.0576 119.8340 66.0507 31.6061 178.2511 46 S 4.1103 7.9455 114.4119 61.9471 62.5462 176.8605 47 T 3.8756 7.9911 118.3303 66.6096 68.1979 176.8600 48 I 3.7348 8.0208 121.9299 64.4951 36.9558 178.5814 49 L 4.0285 7.9970 118.4100 57.5310 41.4934 178.9498 50 A 4.1944 7.8974 119.1759 53.8972 18.5769 178.7312 51 S 4.5317 8.9581 114.7941 58.9419 63.7600 174.9275 *52 I 3.6051 7.2746 123.6740 59.5388 37.5935 177.6552 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 3.90 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 0.00 0.00 0.00 2 S 8.15 4.20 0.00 4.14 4.02 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 3 I 8.39 3.65 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 1.17 0.91 0.00 0.00 4 I 7.68 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 1.23 0.91 0.00 0.00 5 N 8.04 4.33 0.00 2.85 2.91 0.00 0.00 7.17 8.91 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 6 E 8.50 3.99 0.00 2.15 1.97 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 2.60 2.48 0.00 7 T 8.10 3.89 4.37 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 1.22 0.00 0.00 8 A 8.09 3.99 1.41 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 0.00 0.00 9 D 8.25 4.33 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 8.17 4.37 0.00 2.82 2.88 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 0.00 0.00 0.00 11 I 7.97 3.71 2.03 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 0.58 0.92 0.00 0.00 12 V 8.00 3.59 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 0.98 0.00 0.00 13 Y 8.39 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 8.31 3.80 0.00 1.99 1.97 0.00 3.21 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.97 0.00 15 L 7.98 4.07 0.00 1.79 1.69 0.92 0.77 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 7.86 3.83 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 1.17 0.00 0.00 17 V 7.49 3.45 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 0.99 0.00 0.00 0.35 0.00 0.00 18 I 7.47 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 1.67 0.81 0.90 0.00 0.00 19 I 8.03 3.72 2.00 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 0.73 0.89 0.00 0.00 20 D 8.54 4.43 0.00 2.86 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 8.27 4.37 0.00 2.83 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 8.09 3.96 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 1.90 1.79 0.00 23 Y 8.30 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 8.53 3.62 0.00 2.12 1.93 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 2.67 2.55 0.00 25 S 8.03 4.06 0.00 4.00 3.87 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 26 L 7.91 3.94 0.00 1.73 1.66 0.93 0.86 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 7.96 3.71 0.00 1.12 1.55 0.00 1.60 0.00 0.00 1.38 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.33 7.81 28 N 8.28 4.29 0.00 2.82 2.80 0.00 0.00 6.72 6.64 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 29 L 7.95 3.89 0.00 1.81 1.78 0.90 0.76 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 7.90 3.67 1.96 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 1.50 0.47 0.89 0.00 0.00 31 T 7.97 3.83 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 32 L 8.13 3.91 0.00 1.81 1.82 0.91 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.27 3.92 0.00 1.83 1.95 0.00 3.33 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 1.85 1.78 0.00 34 A 8.23 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.37 4.31 0.00 2.94 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 8.13 3.92 0.00 1.99 2.02 0.00 3.09 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 1.62 1.66 0.00 37 L 8.04 3.98 0.00 1.90 1.70 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.26 3.95 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 2.52 0.00 39 M 8.08 4.00 0.00 2.21 2.15 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 7.97 3.68 2.00 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 0.68 0.91 0.00 0.00 41 I 7.91 3.69 1.99 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 0.74 0.91 0.00 0.00 42 N 8.41 4.29 0.00 2.87 2.87 0.00 0.00 6.69 8.65 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 43 D 8.11 4.32 0.00 2.76 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 8.47 4.35 0.00 2.88 2.85 0.00 0.00 6.68 8.14 0.00 0.00 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 8.06 3.58 2.21 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 1.11 0.00 0.00 0.99 0.00 0.00 46 S 7.95 4.11 0.00 4.11 3.89 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 47 T 7.99 3.88 4.38 0.00 0.00 0.00 0.00 0.00 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 8.02 3.73 2.00 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 1.05 0.91 0.00 0.00 49 L 8.00 4.03 0.00 1.74 1.73 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.90 4.19 1.35 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 51 S 8.96 4.53 0.00 3.92 3.92 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 *52 I 7.27 3.61 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.