NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 P 4.3110 0.0000 0.0000 61.9732 31.9373 176.4690 14 I 2.0000 7.6781 125.3879 61.8471 37.0401 177.3125 15 S 4.0618 7.7138 113.7372 60.7951 63.4842 174.8420 16 S 4.5382 7.8456 113.6152 58.3115 63.7458 174.6710 17 W 4.5553 8.3336 123.3676 57.2828 29.4748 176.2055 18 S 5.0115 8.8357 118.0394 57.2492 65.5305 175.5620 19 V 3.9758 8.1084 121.2117 65.6931 31.1724 177.4463 20 D 4.3430 8.0608 118.2469 57.4198 40.7598 178.1968 21 D 4.1106 8.0013 119.3268 57.3468 40.6951 179.1336 22 V 3.8970 7.9941 118.8813 66.0835 31.5435 178.2012 23 S 4.1024 8.4085 114.2419 61.5621 62.8552 176.3106 24 N 4.3093 8.2417 120.1026 55.8328 38.0144 177.1697 25 F 4.1787 7.9090 121.2236 61.4111 39.8726 177.0322 26 I 3.2029 7.8280 119.6842 64.0159 36.5811 178.2934 27 R 3.8160 7.9458 118.9650 59.4971 29.9537 177.9641 28 E 3.9652 7.7578 117.6190 57.9848 29.8575 177.2784 29 L 4.1010 6.9208 118.9125 53.4186 42.3524 174.6479 30 P 4.3844 0.0000 0.0000 63.9298 31.9135 176.7976 31 G 3.9489 8.8511 108.5948 46.1320 0.0000 173.3749 32 C 4.8579 7.5280 116.0359 59.2493 28.1753 175.4753 33 Q 3.9558 8.1880 120.9291 59.2556 27.9422 177.7286 34 D 4.7658 8.0151 115.0387 54.3161 41.3139 176.6354 35 Y 4.8716 8.0969 118.2895 58.0817 39.9583 177.9994 36 V 3.7566 8.0551 120.1459 65.3468 31.1813 178.0054 37 D 4.4518 8.1946 118.9503 57.1120 40.5826 178.4152 38 D 4.4725 8.1889 119.3909 57.2045 40.7937 178.7853 39 F 3.9205 8.4372 118.0039 60.4625 39.0043 177.6216 40 I 3.8119 7.9250 119.2197 64.6998 36.7694 178.6314 41 Q 4.0993 8.3497 117.8318 58.7366 28.5792 177.9069 42 Q 4.2600 8.1440 116.4651 54.8407 29.4330 175.4900 43 E 3.7230 7.9087 118.6608 57.3678 27.7092 176.4305 44 I 4.0536 7.9583 120.5182 60.8208 36.8224 175.9585 45 D 4.9726 8.3139 126.6741 51.4524 42.1554 177.2769 46 G 3.7883 8.8902 105.3848 48.3752 0.0000 175.3644 47 Q 3.9087 8.0871 120.0326 58.9382 29.4080 177.9309 48 A 4.1252 8.4707 121.7042 54.9811 18.2153 179.1894 49 L 4.0343 8.5576 119.2811 58.5330 41.9345 179.3226 50 L 3.9776 7.8145 117.5232 56.9571 41.5951 178.5034 51 L 4.3707 7.5366 117.1535 54.1438 42.4229 176.8382 52 L 4.0745 7.0388 121.6440 55.0374 42.7272 176.0834 53 K 4.7745 8.6480 123.8904 53.7739 35.7977 176.6493 54 E 3.9468 8.8015 118.7868 59.9032 29.0709 179.1743 55 K 3.8507 7.9957 119.7758 59.6719 32.0928 178.3159 56 H 4.2903 8.0257 116.3808 58.8156 28.4096 177.8331 57 L 3.9511 7.7907 119.4814 57.5031 41.3902 179.3822 58 V 3.7284 7.8741 118.2076 66.2789 31.3917 177.9456 59 N 4.4676 8.0956 114.3963 55.3085 38.4908 175.7985 60 A 4.2693 7.9015 121.4983 52.1517 18.8458 177.4917 *62 G 3.6336 7.7813 106.5691 46.0888 0.0000 173.3948 *64 K 4.1060 7.9593 124.8079 55.1843 34.7189 176.1782 65 L 4.0217 8.4422 123.8170 58.4717 42.1281 179.4282 66 G 3.7327 8.1383 104.8278 47.7992 0.0000 173.5932 67 P 4.2591 0.0000 0.0000 64.7029 31.3700 178.5403 68 A 3.9686 8.0990 119.7272 55.3792 18.2131 179.9586 69 R 3.9392 8.2070 116.5067 59.2039 29.9899 179.4814 70 K 4.0079 7.8948 118.1461 59.3686 32.0433 179.5020 71 I 3.7296 7.9478 120.1603 64.4284 37.1127 178.6284 72 V 3.6461 7.9051 118.8573 66.0215 31.2530 177.9090 73 A 4.0267 8.4311 120.9311 54.9925 18.1996 179.5426 74 K 3.9473 8.4527 118.5110 59.5031 32.0536 179.3021 75 V 3.4358 7.7684 117.6993 65.9531 31.5824 177.2141 76 E 4.0300 8.0076 117.9402 59.3109 29.5097 178.5841 77 S 4.2520 8.1532 113.5482 61.4545 63.1210 174.7966 78 I 4.0127 7.5895 126.7631 61.2371 37.0155 175.6528 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 13 P 0.00 4.31 0.00 2.22 2.07 0.00 3.72 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 14 I 7.68 2.00 1.34 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.03 0.25 0.00 0.00 15 S 7.71 4.06 0.00 3.92 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 16 S 7.85 4.54 0.00 4.08 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 17 W 8.33 4.56 0.00 3.48 3.12 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 0.00 0.00 0.00 18 S 8.84 5.01 0.00 4.09 4.05 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 0.00 0.00 0.00 0.00 19 V 8.11 3.98 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 1.35 0.00 0.00 0.99 0.00 0.00 20 D 8.06 4.34 0.00 2.71 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 21 D 8.00 4.11 0.00 2.86 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 0.00 0.00 0.00 22 V 7.99 3.90 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 1.31 0.00 0.00 23 S 8.41 4.10 0.00 4.11 4.25 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 0.00 0.00 0.00 0.00 24 N 8.24 4.31 0.00 2.79 2.82 0.00 0.00 6.61 7.41 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 25 F 7.91 4.18 0.00 2.76 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.83 3.20 1.48 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 -0.36 0.54 0.00 0.00 27 R 7.95 3.82 0.00 1.75 2.11 0.00 3.29 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 28 E 7.76 3.97 0.00 2.09 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 0.00 2.29 2.32 0.00 29 L 6.92 4.10 0.00 1.68 1.41 0.44 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.38 0.00 2.16 2.03 0.00 3.76 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 31 G 8.85 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 32 C 7.53 4.86 0.00 3.08 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 33 Q 8.19 3.96 0.00 2.19 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 34 D 8.02 4.77 0.00 2.36 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.10 4.87 0.00 3.18 3.24 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 0.00 36 V 8.06 3.76 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 0.89 0.00 0.00 0.98 0.00 0.00 37 D 8.19 4.45 0.00 2.81 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 38 D 8.19 4.47 0.00 3.00 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 39 F 8.44 3.92 0.00 3.40 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 40 I 7.93 3.81 2.10 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.91 0.95 0.00 0.00 41 Q 8.35 4.10 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.10 0.00 0.00 0.00 0.00 0.00 2.41 2.64 0.00 42 Q 8.14 4.26 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.73 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 43 E 7.91 3.72 0.00 2.12 2.02 0.00 0.00 0.00 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 2.28 0.00 44 I 7.96 4.05 2.18 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 1.50 1.26 1.15 0.00 0.00 45 D 8.31 4.97 0.00 3.07 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 46 G 8.89 3.79 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 0.00 0.00 0.00 47 Q 8.09 3.91 0.00 2.06 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 48 A 8.47 4.13 1.42 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 0.00 0.00 49 L 8.56 4.03 0.00 1.97 1.91 1.23 0.67 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 50 L 7.81 3.98 0.00 1.79 1.65 0.81 0.87 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 51 L 7.54 4.37 0.00 1.75 1.70 0.91 1.00 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 52 L 7.04 4.07 0.00 1.90 1.66 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.65 4.77 0.00 1.67 1.63 0.00 1.77 0.00 0.00 1.90 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.66 1.34 7.81 54 E 8.80 3.95 0.00 2.18 2.23 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 2.36 2.36 0.00 55 K 8.00 3.85 0.00 1.77 1.67 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.50 7.81 56 H 8.03 4.29 0.00 3.37 3.29 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.79 3.95 0.00 1.73 1.70 1.03 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 58 V 7.87 3.73 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 1.04 0.00 0.00 0.99 0.00 0.00 59 N 8.10 4.47 0.00 2.83 2.86 0.00 0.00 7.05 6.71 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 60 A 7.90 4.27 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 *62 G 7.78 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *64 K 7.96 4.11 0.00 1.81 1.79 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.48 7.81 65 L 8.44 4.02 0.00 1.75 1.67 0.98 0.97 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 66 G 8.14 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 67 P 0.00 4.26 0.00 2.09 2.05 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 68 A 8.10 3.97 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 69 R 8.21 3.94 0.00 2.05 1.99 0.00 3.13 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.83 0.00 70 K 7.89 4.01 0.00 2.01 1.85 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.62 7.81 71 I 7.95 3.73 2.07 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.18 1.06 0.00 0.00 72 V 7.91 3.65 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 1.03 0.00 0.00 1.04 0.00 0.00 73 A 8.43 4.03 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.45 3.95 0.00 2.05 2.16 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.18 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.68 1.87 7.81 75 V 7.77 3.44 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 0.72 0.00 0.00 1.08 0.00 0.00 76 E 8.01 4.03 0.00 2.07 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 0.00 2.31 2.35 0.00 77 S 8.15 4.25 0.00 4.06 4.11 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 0.00 0.00 0.00 0.00 78 I 7.59 4.01 1.79 0.00 0.00 0.92 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 0.75 0.77 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.