NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5531 0.0000 0.0000 62.4314 33.7556 174.4294 2 F 5.1683 8.6932 122.7477 56.1732 42.1157 172.3165 3 I 4.2369 8.5519 126.9932 59.2307 40.7669 173.2914 4 N 5.0423 8.4512 125.4292 51.7031 40.9654 173.3757 5 I 4.4990 8.8109 127.5136 59.4774 39.9677 174.5662 6 K 5.2205 8.7557 126.7579 54.4933 34.3149 175.5086 7 L 4.6725 8.9414 123.9087 54.4959 44.6820 174.5811 8 V 4.9852 7.6972 119.2148 59.7715 32.6502 173.8166 9 P 4.7409 0.0000 0.0000 62.9866 32.3344 175.6008 10 E 4.5783 9.6782 119.0513 57.6854 32.2912 176.3504 11 N 4.2609 9.8951 116.9660 53.5084 35.0124 174.4514 12 G 3.9705 8.5671 105.1179 46.3766 0.0000 174.3361 13 G 4.1539 8.1425 109.3992 42.8124 0.0000 171.3810 14 P 5.0902 0.0000 0.0000 61.5395 32.9197 176.6216 15 T 4.2739 8.8943 112.7634 61.1894 71.1061 175.4728 16 N 4.4928 8.7034 119.7995 56.7243 38.4017 178.1438 17 E 4.0571 8.0728 119.7559 61.0638 30.0221 183.3749 18 Q 4.2658 7.9985 118.3940 58.5907 28.7489 178.8725 19 K 3.9996 8.0919 119.8852 59.4089 31.9740 179.1458 20 Q 3.9837 7.8419 119.9095 59.1843 28.8945 178.2245 21 Q 3.9799 8.0438 119.1860 58.9030 28.7075 178.8489 22 L 3.9449 8.0270 119.9240 57.8568 41.6791 179.5682 23 I 3.7057 7.8134 119.6971 64.4620 36.9364 178.4427 24 E 4.0710 8.5766 119.7775 59.1236 29.2331 179.4964 25 G 3.5940 8.6112 106.2138 47.8808 0.0000 175.9545 26 V 3.5833 8.1628 121.6089 65.7067 31.1217 178.2574 27 S 4.1403 8.0074 114.9151 61.7581 62.5535 176.3449 28 D 4.4506 8.4696 121.3359 56.4702 40.5079 178.6054 29 L 3.9736 7.5904 121.3678 58.3072 42.0293 178.7552 30 M 4.0433 7.9336 118.4590 58.4407 31.9034 178.9554 31 V 3.6637 7.6228 117.5990 65.2323 31.4258 177.5870 32 K 4.1100 7.5827 118.5630 57.9372 32.3400 177.8072 33 V 4.1936 8.0224 119.5182 63.8782 31.9046 176.6409 34 L 4.7088 7.9730 115.6685 52.4947 42.9736 180.3814 35 N 5.1101 8.3290 114.7365 54.5256 36.1392 175.2668 36 K 4.1573 7.2309 118.5461 53.8693 32.5540 178.9675 37 N 4.4414 8.6715 118.6785 54.9889 38.6221 176.0360 38 K 3.8288 8.9383 128.6219 57.7742 31.7898 175.6970 39 A 4.2196 7.8927 120.4721 53.8965 18.3482 178.0342 40 S 4.6392 8.0925 109.3859 57.9238 63.5179 174.0126 41 I 4.2752 7.4599 123.0611 61.2509 37.6662 175.3726 42 V 4.4974 8.8995 127.5862 61.0268 33.9643 174.4104 43 V 4.7633 8.4252 126.6262 61.1069 34.5545 174.4578 44 I 4.6272 8.6095 127.6962 59.6621 40.7318 174.1266 45 I 4.8701 8.5069 127.8453 59.7421 39.0038 174.6684 46 D 5.0078 9.5946 127.6102 52.5309 43.6011 174.9531 47 E 4.9827 8.8274 122.8768 54.9705 31.2232 175.3600 48 V 4.3876 9.0351 125.7389 60.7792 33.8829 174.8874 49 D 4.6718 8.7352 127.2523 54.0080 42.0282 177.0184 50 S 4.2736 8.8161 119.9254 61.4972 62.8937 175.7500 51 N 4.6318 8.6250 116.5361 54.4237 38.5320 175.2300 52 N 4.7943 8.3751 114.8167 52.8968 39.7219 173.7894 53 Y 4.5485 7.9764 120.6770 55.3968 40.8147 174.3588 54 G 4.4856 8.1928 115.1511 43.7197 0.0000 172.1156 55 L 4.3942 9.0759 123.7775 54.5725 44.8403 176.4715 56 G 3.9497 9.5290 113.7234 46.3125 0.0000 174.1293 57 G 3.9471 8.8333 109.3004 45.3137 0.0000 174.2806 58 E 4.8184 7.7876 115.6188 53.2562 33.4740 181.0511 59 S 4.9167 8.3463 116.2048 57.9825 65.2178 175.7220 60 V 3.6475 8.6494 123.5945 66.3508 31.2687 177.7555 61 H 4.3571 8.2406 119.9804 60.1185 29.7865 177.2875 *62 H 4.2774 7.7637 118.9269 59.6800 27.9592 176.9924 63 L 4.3595 7.7713 125.0744 54.8531 41.4206 176.9750 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 P 0.00 4.55 0.00 2.11 2.07 0.00 3.53 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 2 F 8.69 5.17 0.00 3.03 2.94 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 3 I 8.55 4.24 1.67 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.47 0.78 0.00 0.00 4 N 8.45 5.04 0.00 2.55 2.63 0.00 0.00 7.00 7.94 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 5 I 8.81 4.50 1.84 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 1.18 0.79 0.90 0.00 0.00 6 K 8.76 5.22 0.00 1.70 1.82 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.21 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.43 7.81 7 L 8.94 4.67 0.00 1.64 1.68 0.90 0.49 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 8 V 7.70 4.99 1.85 0.00 0.00 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 0.57 0.00 0.00 9 P 0.00 4.74 0.00 1.96 2.02 0.00 3.80 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 2.02 2.08 0.00 10 E 9.68 4.58 0.00 2.03 1.95 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 2.05 2.12 0.00 11 N 9.90 4.26 0.00 2.91 2.78 0.00 0.00 6.79 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.57 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.14 4.15 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 0.00 14 P 0.00 5.09 0.00 2.17 2.03 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 15 T 8.89 4.27 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 1.26 0.00 0.00 16 N 8.70 4.49 0.00 2.75 2.91 0.00 0.00 6.95 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 17 E 8.07 4.06 0.00 1.97 1.95 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 2.31 1.96 0.00 18 Q 8.00 4.27 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 19 K 8.09 4.00 0.00 1.97 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.45 1.64 7.81 20 Q 7.84 3.98 0.00 2.06 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.40 0.00 21 Q 8.04 3.98 0.00 2.36 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 22 L 8.03 3.94 0.00 1.86 1.69 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.81 3.71 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 1.50 0.87 0.90 0.00 0.00 24 E 8.58 4.07 0.00 2.13 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 2.32 2.46 0.00 25 G 8.61 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.16 3.58 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.97 0.00 0.00 27 S 8.01 4.14 0.00 3.96 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 28 D 8.47 4.45 0.00 2.73 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 29 L 7.59 3.97 0.00 1.85 1.87 0.91 1.36 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 M 7.93 4.04 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.88 0.00 31 V 7.62 3.66 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 0.99 0.00 0.00 1.08 0.00 0.00 32 K 7.58 4.11 0.00 1.80 1.99 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.43 7.81 33 V 8.02 4.19 2.12 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 0.87 0.00 0.00 0.95 0.00 0.00 34 L 7.97 4.71 0.00 1.54 1.56 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.33 5.11 0.00 2.84 2.91 0.00 0.00 7.17 7.61 0.00 0.00 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 K 7.23 4.16 0.00 1.95 1.61 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.25 7.81 37 N 8.67 4.44 0.00 2.72 2.77 0.00 0.00 6.96 7.37 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 38 K 8.94 3.83 0.00 1.72 1.83 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.03 7.81 39 A 7.89 4.22 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.09 4.64 0.00 3.98 3.97 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 0.00 0.00 0.00 41 I 7.46 4.28 1.94 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 1.12 0.77 0.90 0.00 0.00 42 V 8.90 4.50 2.39 0.00 0.00 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 1.02 0.00 0.00 43 V 8.43 4.76 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.87 0.00 0.00 44 I 8.61 4.63 1.96 0.00 0.00 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 1.34 0.81 1.01 0.00 0.00 45 I 8.51 4.87 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.53 0.91 0.00 0.00 46 D 9.59 5.01 0.00 2.57 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.83 4.98 0.00 1.85 1.89 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 2.24 2.29 0.00 48 V 9.04 4.39 2.30 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 1.07 0.00 0.00 1.07 0.00 0.00 49 D 8.74 4.67 0.00 2.81 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.82 4.27 0.00 4.16 4.15 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 51 N 8.62 4.63 0.00 2.84 2.90 0.00 0.00 6.91 8.38 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 52 N 8.38 4.79 0.00 2.84 2.87 0.00 0.00 6.71 7.09 0.00 0.00 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 Y 7.98 4.55 0.00 3.05 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 54 G 8.19 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.08 4.39 0.00 1.82 1.57 0.99 1.16 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 56 G 9.53 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 57 G 8.83 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 58 E 7.79 4.82 0.00 1.81 1.77 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 0.00 2.12 2.07 0.00 59 S 8.35 4.92 0.00 4.26 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 0.00 60 V 8.65 3.65 2.26 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 0.75 0.00 0.00 0.98 0.00 0.00 61 H 8.24 4.36 0.00 3.18 3.36 0.00 6.01 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *62 H 7.76 4.28 0.00 3.09 2.97 0.00 7.27 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.77 4.36 0.00 1.79 1.62 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.