NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 4.1115 7.8827 120.7864 61.0222 40.2928 177.4091 5 N 4.1840 8.0719 118.4346 56.1880 38.8082 173.5452 6 E 4.0320 8.9155 120.9243 59.5011 30.0247 178.8598 7 T 3.8997 7.8603 115.3259 66.4466 68.6221 176.4585 8 A 4.0225 7.9222 122.4081 55.2975 18.3295 179.4031 9 D 4.3383 8.1777 117.4181 57.5100 40.8478 178.5507 10 D 4.3859 8.2440 118.5039 57.3691 41.2386 178.3779 11 I 3.7126 7.8609 120.2803 64.4180 37.1663 178.6040 12 V 3.5823 7.9295 119.0518 66.0231 31.3747 177.3683 13 Y 4.0527 8.3587 119.4822 60.8942 38.4238 178.1317 14 R 3.7550 8.2094 118.9421 59.4241 30.1266 179.1318 15 L 4.0248 7.9382 118.4345 57.7031 41.5217 179.6469 16 T 3.8020 7.7724 116.1087 66.4052 68.3145 176.7911 17 V 3.4322 7.4900 120.1729 66.0104 31.4946 178.2602 18 I 3.7080 7.3765 119.2019 64.3378 36.8810 178.4338 19 I 3.7263 7.9955 120.9857 64.5500 36.8499 178.2250 20 D 4.4125 8.4508 120.0919 57.2805 40.7126 178.3259 21 D 4.3172 8.1068 118.5254 57.6088 41.2898 178.6659 22 R 3.9646 8.0871 118.5440 59.1208 29.9209 178.3919 23 Y 4.0824 8.3329 119.6632 60.8967 38.8123 178.0811 24 E 3.6188 8.4948 119.6295 59.4096 29.5018 179.6272 25 S 4.0659 7.9361 114.9758 61.5271 62.7938 176.7670 26 L 3.9326 7.9505 121.7513 57.4273 41.3554 179.3564 27 K 3.6987 7.8833 119.8971 59.4771 31.9887 178.3520 28 N 4.2361 8.1365 117.3187 56.4100 38.7662 176.5330 29 L 3.8911 7.9525 121.7081 58.2639 42.1930 178.9587 30 I 3.6629 7.9012 119.8956 64.6875 36.9789 178.5957 31 T 3.8340 7.8830 116.3482 66.6519 68.3231 176.7750 32 L 3.9656 8.1407 121.1227 57.9595 41.6093 179.9129 33 R 3.9303 8.3268 118.0678 59.0223 29.9657 179.0246 34 A 3.9720 8.2134 120.7800 55.1939 18.3836 179.3515 35 D 4.2988 8.2801 117.5912 57.5099 40.8514 179.0715 36 R 3.8681 8.1064 119.0944 59.4296 30.0271 178.5503 37 L 3.9804 8.1033 118.8590 57.8356 41.5698 179.3347 38 E 3.9381 8.3138 118.5374 59.5535 29.3136 179.1101 39 M 4.0078 8.0293 118.1653 58.7542 32.3471 178.3517 40 I 3.7109 7.9341 120.0176 64.3238 37.2333 178.5347 41 I 3.6922 7.9896 120.7796 64.5607 36.9350 178.3014 42 N 4.3526 8.3008 117.3210 56.3760 38.4481 177.2588 43 D 4.3457 8.4550 120.6691 57.5052 40.9101 178.6563 44 N 4.3686 8.2268 117.0019 56.2649 38.4367 177.7106 45 V 3.6088 7.9971 119.7549 66.0029 31.6137 178.2193 46 S 4.1152 8.3097 115.1143 61.9448 62.4401 176.8357 47 T 3.8916 7.5527 116.8230 66.6038 68.4723 176.5021 48 I 3.8618 7.7381 121.6755 64.4807 36.7750 178.5479 49 L 4.0102 8.2503 119.8520 57.5781 41.2490 178.9023 50 A 4.2721 8.0166 118.4363 53.5479 18.6214 178.5366 51 S 4.5792 9.0490 114.6375 58.6203 63.7035 174.8742 *52 I 3.6184 6.8804 123.2983 59.7558 37.6356 178.6166 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 I 7.88 4.11 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 1.30 1.28 0.91 0.00 0.00 5 N 8.07 4.18 0.00 2.87 2.79 0.00 0.00 7.25 6.77 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 6 E 8.92 4.03 0.00 2.05 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 2.39 2.39 0.00 7 T 7.86 3.90 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 7.92 4.02 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 9 D 8.18 4.34 0.00 2.92 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 4.39 0.00 2.89 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 11 I 7.86 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 0.64 0.92 0.00 0.00 12 V 7.93 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 1.02 0.00 0.00 1.01 0.00 0.00 13 Y 8.36 4.05 0.00 3.14 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 8.21 3.76 0.00 1.96 1.96 0.00 3.49 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.94 0.00 15 L 7.94 4.02 0.00 1.77 1.68 0.92 0.75 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 7.77 3.80 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 1.19 0.00 0.00 17 V 7.49 3.43 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 0.92 0.00 0.00 0.28 0.00 0.00 18 I 7.38 3.71 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 1.49 0.70 0.90 0.00 0.00 19 I 8.00 3.73 2.01 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 0.75 0.89 0.00 0.00 20 D 8.45 4.41 0.00 2.89 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 8.11 4.32 0.00 2.80 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 22 R 8.09 3.96 0.00 1.91 1.98 0.00 3.35 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 1.87 1.78 0.00 23 Y 8.33 4.08 0.00 3.08 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 24 E 8.49 3.62 0.00 2.13 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.55 0.00 25 S 7.94 4.07 0.00 4.02 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 7.95 3.93 0.00 1.73 1.65 0.93 0.87 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 7.88 3.70 0.00 1.15 1.57 0.00 1.47 0.00 0.00 1.41 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.31 7.81 28 N 8.14 4.24 0.00 2.84 2.87 0.00 0.00 6.90 6.19 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 29 L 7.95 3.89 0.00 1.83 1.83 0.90 0.87 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 30 I 7.90 3.66 1.95 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 0.49 0.89 0.00 0.00 31 T 7.88 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 8.14 3.97 0.00 1.69 1.70 0.93 1.06 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 33 R 8.33 3.93 0.00 1.88 1.96 0.00 3.28 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 1.72 1.77 0.00 34 A 8.21 3.97 1.38 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 0.00 0.00 0.00 35 D 8.28 4.30 0.00 2.92 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 8.11 3.87 0.00 1.96 2.09 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 37 L 8.10 3.98 0.00 1.88 1.70 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.31 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 2.53 0.00 39 M 8.03 4.01 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 2.72 0.00 40 I 7.93 3.71 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 0.71 0.91 0.00 0.00 41 I 7.99 3.69 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 0.78 0.91 0.00 0.00 42 N 8.30 4.35 0.00 2.80 2.86 0.00 0.00 7.11 7.59 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 43 D 8.46 4.35 0.00 2.71 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 44 N 8.23 4.37 0.00 2.99 2.86 0.00 0.00 6.68 7.45 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 45 V 8.00 3.61 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 1.12 0.00 0.00 0.99 0.00 0.00 46 S 8.31 4.12 0.00 4.08 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 47 T 7.55 3.89 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 7.74 3.86 2.02 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 0.90 0.91 0.00 0.00 49 L 8.25 4.01 0.00 1.81 1.71 0.92 1.12 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 50 A 8.02 4.27 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 51 S 9.05 4.58 0.00 4.01 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 6.88 3.62 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.