NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2767 8.4449 121.4721 56.4754 29.6015 175.0227 2 T 4.2284 8.1870 122.8600 62.1646 71.6106 172.2738 3 S 5.0147 9.1763 123.2774 56.9249 66.8616 172.9566 4 Y 4.6831 8.2736 118.1511 56.9205 41.5282 175.0358 5 T 4.7141 8.0472 119.3158 62.0139 72.6024 173.5159 6 L 4.1025 7.9214 120.4431 54.6623 43.9707 173.7412 7 N 4.8517 8.8960 124.2490 51.1292 38.7047 173.2611 8 E 4.6118 8.5918 123.2462 54.0198 32.2970 174.7579 9 V 4.2087 8.1073 122.2495 61.2684 32.5190 175.8310 10 V 4.3649 8.1014 126.5916 59.7285 33.8891 172.5870 11 P 4.6095 0.0000 0.0000 61.4135 30.9821 176.4298 12 L 4.1750 8.6587 125.3981 57.7252 41.3781 178.8098 13 K 3.7451 8.1716 118.9334 60.0687 31.7963 178.1684 14 E 3.7578 7.3969 116.6954 58.0534 29.2901 177.0172 15 F 4.8347 7.2299 114.5253 58.8800 41.3024 176.1123 16 V 4.1576 7.9289 112.9567 59.6016 32.4968 174.4415 17 P 4.6094 0.0000 0.0000 62.0727 32.1832 176.8832 18 E 3.9261 8.8568 118.6328 58.8759 29.3888 177.7986 19 W 4.4153 8.0378 117.9779 54.9416 30.3384 175.6685 20 V 4.6060 8.2460 115.5131 59.3243 34.9077 174.6866 21 R 4.5434 8.3975 120.3664 54.5307 32.1242 174.5244 22 I 4.3159 7.8698 118.5117 59.5341 39.6046 175.0630 23 G 3.7186 7.4976 108.4411 45.9791 0.0000 172.0882 24 F 4.9351 8.0599 117.5263 56.0643 41.5075 174.7516 25 S 4.5864 8.0951 114.0445 57.7854 64.9385 172.9260 26 A 4.4171 8.0475 125.2515 51.8678 21.4026 175.4632 27 T 4.6452 7.8939 109.6442 61.1116 71.7716 171.8554 28 T 4.8421 7.9660 110.4940 61.4981 72.6692 173.5656 29 G 3.9464 8.1142 116.3967 45.4658 0.0000 175.9087 30 A 4.1329 9.1043 127.8414 53.8691 18.5313 177.8507 31 E 4.5795 7.8967 114.3046 54.8152 32.0354 174.5517 32 F 5.1887 6.9276 114.1333 55.9080 40.9105 173.0157 33 A 4.3383 8.0535 120.7295 51.7592 21.0500 175.7304 34 A 4.2337 8.6409 123.7069 51.5070 19.1817 176.9700 35 H 4.7988 8.6662 121.2475 54.2151 29.7431 174.3861 36 E 4.6200 8.3784 121.7852 54.3039 32.4885 175.0983 37 V 4.1844 8.0253 120.1670 61.3603 33.5432 175.1223 38 L 4.6775 8.2054 123.0222 55.4819 43.9606 176.8374 39 S 4.8183 7.6777 109.7912 57.1286 65.5669 173.2455 40 W 5.5985 8.5800 130.3282 56.4475 33.5324 173.3218 41 Y 4.8761 8.9555 125.3069 56.0728 41.5225 173.7582 42 F 4.5169 6.9258 125.0750 57.4275 42.2860 172.9321 43 N 4.2832 6.4272 120.5233 52.7120 41.5818 173.8192 44 S 4.4986 8.3626 121.2336 56.6050 65.7584 173.6980 45 E 4.3489 8.3891 123.7520 54.4891 30.6282 173.7098 46 L 4.6765 8.4423 129.7454 53.7777 44.5442 176.4116 47 S 4.4157 8.7386 123.2740 59.8983 64.7530 172.8878 *48 V 3.9936 7.6594 121.2776 60.8305 32.0675 177.0409 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 E 8.44 4.28 0.00 1.95 1.98 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 2.18 2.34 0.00 2 T 8.19 4.23 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 1.18 0.00 0.00 3 S 9.18 5.01 0.00 3.79 3.78 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 4 Y 8.27 4.68 0.00 2.86 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.05 4.71 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 1.23 0.00 0.00 6 L 7.92 4.10 0.00 1.56 1.55 0.94 0.92 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 7 N 8.90 4.85 0.00 2.83 2.79 0.00 0.00 6.07 7.66 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 8 E 8.59 4.61 0.00 1.91 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 2.18 2.32 0.00 9 V 8.11 4.21 2.10 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 0.93 0.00 0.00 0.95 0.00 0.00 10 V 8.10 4.36 2.08 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 0.82 0.00 0.00 0.97 0.00 0.00 11 P 0.00 4.61 0.00 2.20 2.30 0.00 4.04 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.05 0.00 12 L 8.66 4.17 0.00 1.75 1.82 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.17 3.75 0.00 1.77 1.76 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.51 7.81 14 E 7.40 3.76 0.00 1.21 1.12 0.00 0.00 0.00 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 2.25 0.00 15 F 7.23 4.83 0.00 3.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.93 4.16 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 0.75 0.00 0.00 1.02 0.00 0.00 17 P 0.00 4.61 0.00 2.29 2.07 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 18 E 8.86 3.93 0.00 1.99 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 2.28 2.36 0.00 19 W 8.04 4.42 0.00 3.31 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 20 V 8.25 4.61 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 0.79 0.00 0.00 0.94 0.00 0.00 21 R 8.40 4.54 0.00 1.74 1.78 0.00 3.23 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 22 I 7.87 4.32 1.72 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.53 0.79 0.00 0.00 23 G 7.50 3.72 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 0.00 0.00 0.00 24 F 8.06 4.94 0.00 2.82 2.64 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 0.00 0.00 0.00 0.00 25 S 8.10 4.59 0.00 3.78 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.05 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.89 4.65 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 1.20 0.00 0.00 28 T 7.97 4.84 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 29 G 8.11 3.95 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 0.00 30 A 9.10 4.13 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 31 E 7.90 4.58 0.00 1.96 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 32 F 6.93 5.19 0.00 3.02 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.05 4.34 1.15 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 0.00 0.00 34 A 8.64 4.23 1.22 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 35 H 8.67 4.80 0.00 3.07 3.19 0.00 5.84 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.38 4.62 0.00 1.96 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 2.12 2.22 0.00 37 V 8.03 4.18 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.14 0.00 0.00 38 L 8.21 4.68 0.00 1.62 1.67 0.89 0.80 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 39 S 7.68 4.82 0.00 4.06 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 40 W 8.58 5.60 0.00 3.43 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 41 Y 8.96 4.88 0.00 3.00 2.95 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 42 F 6.93 4.52 0.00 2.58 2.42 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 43 N 6.43 4.28 0.00 2.29 2.36 0.00 0.00 6.83 7.63 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 44 S 8.36 4.50 0.00 3.83 3.64 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 0.00 0.00 0.00 0.00 45 E 8.39 4.35 0.00 1.79 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 2.14 2.18 0.00 46 L 8.44 4.68 0.00 1.49 1.41 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.74 4.42 0.00 3.64 3.71 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 *48 V 7.66 3.99 2.08 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 0.82 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.