NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.1255 0.0000 0.0000 63.1329 32.2737 173.0118 3 K 3.4848 8.8641 129.8408 55.2185 30.0261 173.3217 4 M 4.2052 9.2365 126.7907 55.5003 33.5267 175.8314 5 K 4.6383 8.2375 120.1896 54.7231 34.4747 176.3877 6 T 4.2651 8.1934 112.5872 61.1208 69.8338 173.9656 7 H 4.2321 8.6854 124.7917 55.9093 29.6818 176.1461 8 K 4.2222 8.5370 127.7751 58.8784 31.7527 179.2026 9 G 3.7338 7.8132 104.4023 46.7473 0.0000 175.2077 10 A 4.2080 8.0100 123.4794 54.8418 18.6054 179.1490 11 K 3.8026 8.1463 116.5237 59.8923 32.2213 178.2421 12 K 4.3120 7.7693 116.2425 57.6338 32.1930 177.5671 13 R 4.6648 8.5344 113.1024 55.1662 31.2994 174.7413 14 V 4.8196 7.5461 116.9846 60.1324 35.0871 174.7293 15 K 4.5850 8.6999 121.5686 54.9573 35.9196 174.4142 16 I 4.7843 8.3004 127.7676 59.5326 38.9809 175.6515 17 T 4.1582 8.9390 120.7281 61.1192 69.7378 174.6925 18 A 4.0864 8.3404 123.0548 54.9457 18.6155 179.0141 19 S 4.1554 7.9477 110.5219 59.8120 63.7060 174.0958 20 G 3.7407 7.6760 107.5703 46.0660 0.0000 173.6290 21 K 4.4120 7.9434 117.2106 54.1225 35.6597 177.5833 22 V 4.2259 8.1190 124.5435 62.5375 33.1297 174.7338 23 V 5.2282 9.1518 126.7288 60.2473 34.9490 173.9754 24 A 4.9863 8.3095 126.8230 50.6654 23.1751 174.8635 25 M 4.6244 8.4155 118.7372 54.5293 32.6563 177.2087 26 K 4.2228 8.7411 122.6675 56.9745 32.8686 176.6968 27 T 4.4210 8.3312 113.7538 61.2182 70.5931 174.3727 28 G 4.3033 9.7079 110.7998 45.3966 0.0000 174.6984 29 K 4.6031 7.7494 117.1010 55.3074 32.1922 176.2470 30 R 4.4093 7.9335 119.6473 58.3177 31.0961 175.6696 31 H 4.7161 7.8384 109.6315 56.3738 29.7182 174.7206 32 L 4.2088 8.7926 121.9678 58.6715 42.0429 176.6928 33 N 3.9241 7.0103 113.5494 50.6767 39.4569 170.6745 34 W 3.7436 7.8058 133.0509 56.4416 28.4908 173.6756 35 Q 3.6422 6.9137 121.9688 55.9675 29.2603 175.7813 36 K 4.5948 7.4902 115.4031 53.7300 34.8928 177.3525 37 S 4.3885 8.5501 118.3624 58.0942 64.9698 175.6984 38 G 3.5676 8.4896 109.3849 47.7855 0.0000 175.5707 39 K 3.8152 8.1274 121.6049 60.3205 31.8101 177.5399 40 E 4.0388 7.9178 117.2813 58.4890 29.2575 178.5139 41 I 3.8143 7.8041 122.3855 64.8978 37.9044 178.2164 42 R 4.0917 8.6232 119.3383 59.5054 29.7156 179.4121 43 Q 4.5019 8.0946 113.3823 55.5471 29.1262 177.1184 44 K 4.5173 8.2540 122.7930 54.5903 32.8322 176.4012 45 G 3.9474 8.7085 111.5786 45.9480 0.0000 172.2441 46 R 5.1925 9.1268 117.5682 54.7808 35.6346 174.1939 47 K 4.5010 8.4315 117.9166 55.9798 36.0148 175.8978 48 F 5.3240 8.5834 124.4065 57.4585 38.6797 175.8467 49 V 4.6218 7.5856 123.4587 62.3542 34.2297 170.2917 50 L 4.6712 7.9050 124.3030 54.1584 45.4120 175.9604 51 A 5.1348 8.8991 130.8916 53.7164 17.6279 180.2850 52 K 4.0580 7.6567 114.2063 58.2571 32.1598 177.2058 53 P 4.4159 0.0000 0.0000 64.6324 31.6121 178.2264 54 E 3.9106 7.7162 118.5512 59.3409 29.4128 178.6368 55 A 4.0175 7.9284 118.8295 54.8839 18.5407 178.9977 56 E 3.9515 7.9142 117.8417 59.5236 29.9006 178.7946 57 R 3.8025 8.5984 119.3256 59.5384 29.7787 178.4015 58 I 3.7533 7.4032 118.1156 63.6936 37.4396 177.6836 59 K 4.2307 8.2537 118.6848 57.0402 32.6818 177.1472 60 L 4.8723 7.3812 120.8111 52.9091 40.7879 176.5393 61 L 3.6358 7.2504 116.8863 60.2363 41.3022 178.9133 62 L 4.4104 8.1177 117.3628 56.3259 42.4781 177.6402 63 P 4.2173 0.0000 0.0000 64.2458 31.1227 176.0921 64 Y 2.9077 7.6499 116.7548 59.5701 37.9254 171.6972 *65 E 4.1515 8.5378 114.8048 56.9201 30.5285 171.3219 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 2 P 0.00 4.13 0.00 2.20 2.15 0.00 3.87 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 3 K 8.86 3.48 0.00 1.99 1.90 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.53 7.81 4 M 9.24 4.21 0.00 2.06 2.02 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 2.62 2.59 0.00 5 K 8.24 4.64 0.00 1.73 1.71 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.40 7.81 6 T 8.19 4.27 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 1.24 0.00 0.00 7 H 8.69 4.23 0.00 3.24 3.26 0.00 5.58 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.54 4.22 0.00 1.83 1.81 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.56 7.81 9 G 7.81 3.73 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 0.00 0.00 0.00 10 A 8.01 4.21 1.40 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 0.00 0.00 0.00 11 K 8.15 3.80 0.00 1.77 1.90 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.58 7.81 12 K 7.77 4.31 0.00 1.77 1.85 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.63 7.81 13 R 8.53 4.66 0.00 1.81 1.96 0.00 3.02 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.56 0.00 14 V 7.55 4.82 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 0.84 0.00 0.00 0.98 0.00 0.00 15 K 8.70 4.59 0.00 1.84 1.63 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.39 7.81 16 I 8.30 4.78 1.83 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 1.36 0.94 0.90 0.00 0.00 17 T 8.94 4.16 4.22 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 1.23 0.00 0.00 18 A 8.34 4.09 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 19 S 7.95 4.16 0.00 3.78 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 20 G 7.68 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 0.00 0.00 0.00 21 K 7.94 4.41 0.00 1.35 0.98 0.00 1.28 0.00 0.00 0.61 0.00 0.00 2.66 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.89 1.08 7.81 22 V 8.12 4.23 2.03 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 0.92 0.00 0.00 0.94 0.00 0.00 23 V 9.15 5.23 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 1.32 0.00 0.00 1.08 0.00 0.00 24 A 8.31 4.99 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.42 4.62 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.37 0.00 26 K 8.74 4.22 0.00 1.64 1.75 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.54 7.81 27 T 8.33 4.42 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 1.22 0.00 0.00 28 G 9.71 4.30 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 0.00 29 K 7.75 4.60 0.00 1.85 1.85 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.45 7.81 30 R 7.93 4.41 0.00 1.80 1.98 0.00 3.44 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 31 H 7.84 4.72 0.00 3.26 3.27 0.00 5.57 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.79 4.21 0.00 1.71 1.83 0.94 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.01 3.92 0.00 2.82 2.76 0.00 0.00 6.93 7.68 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 34 W 7.81 3.74 0.00 3.29 3.53 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 0.00 35 Q 6.91 3.64 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.46 0.00 0.00 0.00 0.00 0.00 1.78 1.73 0.00 36 K 7.49 4.59 0.00 1.72 1.76 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.19 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.36 7.81 37 S 8.55 4.39 0.00 4.00 3.93 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 0.00 0.00 0.00 38 G 8.49 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.13 3.82 0.00 1.81 1.82 0.00 1.71 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.63 1.54 7.81 40 E 7.92 4.04 0.00 2.27 1.87 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 2.33 2.32 0.00 41 I 7.80 3.81 1.87 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 1.63 0.73 0.92 0.00 0.00 42 R 8.62 4.09 0.00 1.91 2.15 0.00 3.08 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 43 Q 8.09 4.50 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 44 K 8.25 4.52 0.00 1.86 1.77 0.00 1.53 0.00 0.00 1.92 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.41 7.81 45 G 8.71 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 46 R 9.13 5.19 0.00 1.67 1.84 0.00 3.27 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 47 K 8.43 4.50 0.00 1.76 1.87 0.00 1.35 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.47 7.81 48 F 8.58 5.32 0.00 2.97 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 49 V 7.59 4.62 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 0.62 0.00 0.00 0.98 0.00 0.00 50 L 7.91 4.67 0.00 1.57 1.51 0.95 1.07 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 51 A 8.90 5.13 1.40 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 0.00 0.00 0.00 52 K 7.66 4.06 0.00 1.86 1.86 0.00 1.55 0.00 0.00 1.87 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.54 7.81 53 P 0.00 4.42 0.00 2.20 2.26 0.00 3.65 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 2.03 2.31 0.00 54 E 7.72 3.91 0.00 2.18 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 2.29 2.32 0.00 55 A 7.93 4.02 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 56 E 7.91 3.95 0.00 2.12 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 2.32 0.00 57 R 8.60 3.80 0.00 2.00 1.85 0.00 3.05 0.00 0.00 3.07 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 58 I 7.40 3.75 2.00 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 1.76 0.89 0.89 0.00 0.00 59 K 8.25 4.23 0.00 1.92 1.85 0.00 1.46 0.00 0.00 1.57 0.00 0.00 3.12 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.44 7.81 60 L 7.38 4.87 0.00 1.59 1.63 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.25 3.64 0.00 1.78 1.67 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.12 4.41 0.00 1.79 1.81 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.22 0.00 2.21 2.26 0.00 3.85 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 2.13 2.05 0.00 64 Y 7.65 2.91 0.00 3.09 3.01 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 0.00 0.00 0.00 *65 E 8.54 4.15 0.00 1.73 1.76 0.00 0.00 0.00 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 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.