NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.2995 8.1849 120.6281 53.5859 43.2001 177.0119 4 P 4.0901 0.0000 0.0000 62.0688 33.0818 175.4218 5 A 3.9470 8.5069 123.8040 55.2002 18.1991 178.3839 6 P 4.1455 0.0000 0.0000 65.6935 31.3330 178.8186 7 V 3.4175 7.4696 117.8317 65.6568 31.6103 177.7186 8 K 3.8053 8.1395 118.1950 59.6355 31.6289 178.8840 9 A 4.0884 7.4093 119.9578 54.6131 18.6551 179.4231 10 I 4.4202 7.3025 119.4149 63.7937 37.2109 178.0189 11 E 4.3787 8.3289 121.2970 58.9256 29.1513 179.6911 12 K 4.0004 7.7337 116.4433 58.9734 32.4256 177.7085 13 Q 4.2204 7.9998 117.3436 55.9053 28.6725 176.5975 14 G 3.9975 8.2693 106.2923 45.8023 0.0000 173.4969 15 I 4.5294 7.7103 120.2226 59.4024 38.8703 174.4635 16 T 4.7964 8.2588 120.3885 60.9660 68.8158 173.4880 17 I 4.3312 8.4380 130.2648 61.3377 37.4533 175.4011 18 I 4.3462 9.1288 128.2376 62.8270 38.7577 176.1544 19 K 4.7762 7.8636 118.6717 55.5158 36.5625 175.0420 20 T 4.8645 8.3507 112.2414 60.3065 71.5103 173.0626 21 F 4.9531 8.2167 116.6239 55.8059 41.9995 172.6259 22 D 4.9456 8.8146 119.5564 53.5398 41.4397 176.0693 23 A 5.0588 8.2202 125.1469 49.5281 21.3983 174.5465 24 P 4.3715 0.0000 0.0000 63.2814 32.2282 177.5192 25 G 3.8060 8.9865 105.0151 46.0541 0.0000 174.1992 26 G 3.8984 8.1608 104.9953 46.2600 0.0000 173.6769 27 M 4.6629 7.5207 118.3003 53.6947 34.3753 175.0807 28 K 4.4274 8.5984 123.7157 55.2599 34.0058 175.5990 29 G 2.9488 8.2591 115.3545 44.6625 0.0000 171.9553 30 Y 5.0527 8.5915 120.6929 55.7291 41.5770 174.1796 31 L 5.0300 9.4642 127.0252 53.8090 44.2503 175.5284 32 G 4.4700 9.3216 115.1794 45.1727 0.0000 171.5478 33 K 5.2966 9.0946 122.0086 53.6743 35.0844 173.2081 34 Y 4.7789 9.8265 124.2918 57.2592 41.0797 175.4635 *37 M 4.2435 7.9950 118.1596 54.7986 33.7247 175.3454 38 G 3.8786 8.7366 110.4566 46.4745 0.0000 173.1839 39 V 4.8661 8.8813 115.7968 59.4440 36.5717 174.4783 40 T 5.0640 8.3977 112.8215 59.9792 71.8877 172.6684 41 I 4.9740 8.6740 125.3430 59.6160 41.0308 173.8562 42 Y 4.9858 8.9982 124.2412 56.0896 40.8387 174.4328 43 L 4.9708 9.3990 127.8603 53.9678 43.8630 176.2561 44 T 4.3507 8.9890 116.8455 61.0177 69.6154 173.6234 45 P 4.2298 0.0000 0.0000 65.8197 31.4447 177.6103 46 D 4.3750 8.1140 115.6556 54.0515 39.4902 177.0603 47 G 3.9362 8.3156 108.0743 46.1217 0.0000 174.2720 48 K 4.4396 8.6937 117.4068 56.0317 33.8026 175.8405 49 H 5.0817 7.9169 114.5349 53.9277 32.9860 172.3428 50 A 5.2118 8.5526 121.9319 50.4452 22.6146 175.3742 51 I 4.4406 8.8140 121.5860 59.5101 40.2152 174.7245 52 S 4.7050 8.9790 122.9856 56.5506 62.6231 174.2098 53 G 3.8263 7.1887 116.2044 46.5018 0.0000 170.7863 54 Y 4.8901 8.2770 120.8057 56.3874 40.9625 175.0052 55 M 4.3772 9.0925 124.8557 54.6820 33.9104 174.2871 56 Y 5.7291 8.8283 122.7105 55.5927 41.3669 175.6440 57 N 4.7969 8.6047 122.4391 52.2597 39.9756 175.8619 58 E 4.0812 8.8038 113.1761 58.3690 29.8466 173.4265 59 K 4.4353 8.3533 114.2159 56.8295 32.8662 176.8603 60 G 3.9563 8.2789 106.6012 45.9802 0.0000 173.6500 61 E 3.9804 8.4623 121.3379 55.6725 29.8934 175.7037 62 N 4.3040 8.5431 124.2471 52.6132 39.3499 175.5228 63 L 3.8267 8.8074 130.3418 57.6004 41.7071 179.6698 64 S 4.2636 8.0713 114.8824 61.5963 62.8934 176.1062 65 N 4.3404 8.4201 119.1778 56.6665 38.3671 177.5302 66 T 3.8999 7.3783 116.5657 66.5481 68.3586 176.3356 67 L 3.8027 7.4519 120.4661 58.3262 42.3536 178.8077 68 I 3.8286 8.0144 119.8779 64.2948 36.7885 178.0464 69 E 3.9383 8.4009 118.8737 59.6418 29.4597 179.4201 70 K 4.0305 7.8794 116.0435 56.8223 32.2685 177.0216 71 E 4.1323 7.7552 123.2721 56.8205 30.1465 174.1030 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 3 L 8.18 4.30 0.00 1.61 1.59 0.87 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.09 0.00 2.07 2.10 0.00 3.41 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 5 A 8.51 3.95 1.27 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 0.00 0.00 0.00 6 P 0.00 4.15 0.00 2.20 2.25 0.00 3.50 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 7 V 7.47 3.42 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.40 0.00 0.00 8 K 8.14 3.81 0.00 1.96 1.81 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.41 7.81 9 A 7.41 4.09 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.30 4.42 1.88 0.00 0.00 0.79 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 1.72 0.84 0.00 0.00 11 E 8.33 4.38 0.00 2.08 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 2.28 2.31 0.00 12 K 7.73 4.00 0.00 2.15 1.85 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.36 7.81 13 Q 8.00 4.22 0.00 2.21 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.58 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 14 G 8.27 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 15 I 7.71 4.53 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.16 0.91 0.00 0.00 16 T 8.26 4.80 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 1.24 0.00 0.00 17 I 8.44 4.33 1.91 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.89 1.07 0.00 0.00 18 I 9.13 4.35 1.98 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.58 0.93 0.00 0.00 19 K 7.86 4.78 0.00 1.72 1.70 0.00 1.64 0.00 0.00 1.88 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.46 7.81 20 T 8.35 4.86 3.81 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 0.00 0.00 0.86 0.00 0.00 21 F 8.22 4.95 0.00 3.09 3.10 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 0.00 0.00 0.00 0.00 22 D 8.81 4.95 0.00 2.64 2.67 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 23 A 8.22 5.06 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.37 0.00 2.20 2.03 0.00 3.75 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 25 G 8.99 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.16 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 27 M 7.52 4.66 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.73 0.00 28 K 8.60 4.43 0.00 1.82 1.67 0.00 1.55 0.00 0.00 1.61 0.00 0.00 2.73 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.85 1.14 7.81 29 G 8.26 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 0.00 0.00 0.00 30 Y 8.59 5.05 0.00 2.73 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.46 5.03 0.00 1.86 1.63 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 32 G 9.32 4.47 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 0.00 33 K 9.09 5.30 0.00 1.39 1.62 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 1.22 7.81 34 Y 9.83 4.78 0.00 2.66 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.00 4.24 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 38 G 8.74 3.88 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 0.00 0.00 0.00 39 V 8.88 4.87 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.96 0.00 0.00 40 T 8.40 5.06 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 41 I 8.67 4.97 1.81 0.00 0.00 0.79 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 0.57 0.81 0.00 0.00 42 Y 9.00 4.99 0.00 3.01 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 43 L 9.40 4.97 0.00 1.93 1.80 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.99 4.35 4.29 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 45 P 0.00 4.23 0.00 2.07 2.18 0.00 3.70 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.31 0.00 46 D 8.11 4.37 0.00 2.79 2.82 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 0.00 0.00 0.00 47 G 8.32 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.69 4.44 0.00 1.66 1.63 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.55 7.81 49 H 7.92 5.08 0.00 3.16 3.16 0.00 5.77 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.55 5.21 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.81 4.44 2.01 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.90 0.98 0.00 0.00 52 S 8.98 4.70 0.00 3.84 3.74 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 53 G 7.19 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 8.28 4.89 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 55 M 9.09 4.38 0.00 1.85 1.11 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 56 Y 8.83 5.73 0.00 2.85 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 57 N 8.60 4.80 0.00 2.96 3.01 0.00 0.00 6.32 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 58 E 8.80 4.08 0.00 2.01 1.91 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 2.23 1.87 0.00 59 K 8.35 4.44 0.00 1.85 1.91 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.42 7.81 60 G 8.28 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.46 3.98 0.00 2.15 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 2.30 2.12 0.00 62 N 8.54 4.30 0.00 2.59 2.55 0.00 0.00 7.23 6.66 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 63 L 8.81 3.83 0.00 1.77 1.71 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.07 4.26 0.00 4.31 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.42 4.34 0.00 2.92 3.01 0.00 0.00 7.05 7.14 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 66 T 7.38 3.90 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 67 L 7.45 3.80 0.00 1.48 1.71 -0.19 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.01 3.83 2.03 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.62 0.94 0.00 0.00 69 E 8.40 3.94 0.00 2.07 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 0.00 2.34 2.36 0.00 70 K 7.88 4.03 0.00 1.70 1.83 0.00 1.97 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.56 1.57 7.81 71 E 7.76 4.13 0.00 2.37 1.90 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 2.25 2.10 0.00 * Residues marked with a * may have inaccurate shift predictions.