NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 T 4.3040 8.1749 110.9385 61.1814 70.7747 173.4137 12 T 4.2967 7.6545 119.0333 61.7823 69.7712 169.7003 13 V 4.1984 7.8603 125.3984 62.9016 32.4733 176.1840 *21 A 4.1680 8.2080 117.4068 50.5855 20.3641 177.6980 22 S 4.3473 7.3396 114.8942 57.2274 63.4875 173.7285 *33 V 3.6962 7.7733 127.3782 63.1295 33.4116 173.6165 34 L 4.3690 7.4146 121.9669 54.8876 45.7733 172.5030 35 Y 5.1054 7.6660 125.1068 56.6238 40.0060 176.7254 36 L 4.5546 8.2286 120.4875 53.9425 42.5089 176.1794 37 Y 4.3212 8.1928 119.1623 58.8697 39.2471 176.2735 *56 T 4.3781 7.6637 109.0737 60.9768 70.9510 173.5645 57 R 5.2149 7.3863 119.6375 56.4697 33.7721 172.9631 58 L 5.4829 8.1986 126.6381 53.2044 45.4003 173.8940 59 D 5.4901 8.9030 125.7126 51.6142 43.2468 176.6451 60 L 4.8166 8.2425 124.3166 54.6228 42.7810 176.8603 61 D 4.5975 8.5511 115.8111 53.4545 39.9233 176.0145 *76 L 4.0358 7.6502 119.2824 55.5310 42.0145 177.2248 77 T 4.2821 8.0599 117.6009 59.6032 67.6301 173.6068 *79 L 4.0820 7.5143 124.5592 55.9129 43.6049 175.6439 80 T 4.7190 8.5662 115.9087 62.5349 71.1553 174.4685 81 Q 5.2963 7.6962 118.9191 54.1120 33.6057 174.8992 82 L 4.7850 8.6132 119.3092 54.9178 45.8944 174.0363 83 S 5.3532 8.5241 121.7905 56.9039 66.1586 173.8774 84 L 4.6481 7.6752 117.4266 54.4119 45.9327 175.4265 85 N 4.7307 8.4243 116.6247 53.3355 36.6335 175.9447 *97 F 5.0758 8.0985 117.3945 58.4874 40.8872 176.6171 98 D 4.7360 8.2370 119.3226 56.1983 41.0148 176.5752 99 N 4.7703 8.2020 114.8735 53.3881 39.7135 175.6866 100 L 4.5239 7.5389 121.2274 53.6870 40.4296 178.1855 101 R 4.1802 7.7830 114.5746 58.3435 30.1948 178.3097 102 S 4.5333 7.8991 113.2080 58.8855 63.9036 174.2626 103 L 4.2845 7.5102 122.2132 56.1088 42.0658 176.4722 104 T 4.7282 9.3094 115.0169 62.0785 71.0163 174.0241 105 H 4.8664 8.0538 118.0374 53.8035 33.2162 172.3307 106 I 4.9398 8.7277 122.2992 59.1197 41.5574 173.6073 107 W 5.2779 9.1483 128.6244 55.4510 30.5317 176.4099 108 L 4.6821 8.6034 119.5145 54.4542 45.3074 175.9218 109 L 4.2211 7.8865 119.0031 55.5215 41.8464 176.1537 110 N 4.2680 8.2764 113.0808 55.0426 37.0972 173.3398 111 N 4.8551 7.4224 118.7580 53.5324 39.6521 176.1819 *121 L 4.3670 8.9239 130.6692 56.0805 43.9259 177.1561 122 Y 4.2000 7.8805 118.1851 59.7515 38.6666 177.2428 123 L 4.0472 7.9125 121.1962 58.1164 42.4328 178.1897 124 S 4.1216 8.1716 114.6118 61.8967 62.6357 176.8510 125 R 3.8469 7.9283 120.8284 59.2846 29.6522 178.4410 126 W 3.9627 7.5566 126.3188 60.3474 31.0078 177.7810 127 I 3.7451 8.4979 120.3466 64.4528 36.3191 178.6234 128 S 4.0857 7.6496 115.1512 60.7516 62.6922 175.6844 129 Q 4.2711 7.1258 117.7040 55.4456 30.3503 175.3148 130 H 2.9879 6.9601 116.5616 53.3397 29.0481 172.7052 131 P 4.2157 0.0000 0.0000 63.9135 31.9432 177.5482 132 W 4.5408 7.0901 114.9963 56.8970 28.9487 176.3712 133 L 4.7012 7.3317 119.1499 55.1258 43.5913 176.0352 134 V 4.6235 7.3847 119.5877 61.2901 33.0201 174.4625 135 F 4.8628 8.6748 127.1112 55.6762 41.1303 176.5199 136 G 4.1195 8.2020 114.4508 45.6067 0.0000 173.7042 137 Y 4.8893 8.6339 117.2660 59.8414 40.0536 176.2122 138 L 4.5878 8.5126 115.8442 54.9630 42.5731 178.1453 139 N 5.3597 9.0181 131.1749 52.7392 40.4666 173.2236 140 L 3.0463 8.1593 123.6708 56.1670 42.6167 177.6735 141 D 4.3501 8.6355 126.3035 53.4883 41.9922 175.0321 142 H 4.3630 8.4297 121.4728 57.1540 28.9116 176.2454 143 D 4.5975 8.0428 119.1288 54.9065 41.1274 177.6170 144 S 4.0616 7.8201 114.5042 60.7240 63.3993 174.4018 145 A 4.0129 7.9731 124.4780 52.3137 17.9538 176.0991 146 R 4.6307 8.0554 121.6171 54.9002 33.9970 174.9351 *152 T 4.1301 8.1310 107.4340 60.9112 69.6269 172.0452 153 P 4.5097 0.0000 0.0000 62.7824 31.9951 176.5904 154 V 3.6982 8.6897 120.7695 65.7155 31.7766 178.5336 155 R 3.7884 7.9695 115.7912 58.8609 29.2615 176.0171 156 A 4.1644 7.5530 125.3479 52.2261 18.6023 176.7596 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 11 T 8.17 4.30 4.23 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 1.21 0.00 0.00 12 T 7.65 4.30 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 1.15 0.00 0.00 13 V 7.86 4.20 2.04 0.00 0.00 0.00 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 0.91 0.00 0.00 *21 A 8.21 4.17 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 22 S 7.34 4.35 0.00 3.94 3.85 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 0.00 0.00 0.00 0.00 *33 V 7.77 3.70 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.88 0.00 0.00 34 L 7.41 4.37 0.00 1.68 1.37 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 7.67 5.11 0.00 3.13 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 36 L 8.23 4.55 0.00 1.58 1.62 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 8.19 4.32 0.00 3.06 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 *56 T 7.66 4.38 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 57 R 7.39 5.21 0.00 1.88 1.70 0.00 3.41 0.00 0.00 3.30 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.48 0.00 58 L 8.20 5.48 0.00 1.78 1.49 0.96 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.90 5.49 0.00 3.10 2.83 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 60 L 8.24 4.82 0.00 1.68 1.66 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.55 4.60 0.00 2.73 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 *76 L 7.65 4.04 0.00 1.72 1.78 0.95 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 77 T 8.06 4.28 4.28 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 1.30 0.00 0.00 *79 L 7.51 4.08 0.00 1.67 1.91 1.04 1.06 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 80 T 8.57 4.72 4.31 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 1.25 0.00 0.00 81 Q 7.70 5.30 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 82 L 8.61 4.78 0.00 1.84 1.55 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.52 5.35 0.00 4.22 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 84 L 7.68 4.65 0.00 1.46 1.73 1.07 1.10 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 85 N 8.42 4.73 0.00 3.00 3.03 0.00 0.00 6.18 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *97 F 8.10 5.08 0.00 2.93 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 D 8.24 4.74 0.00 2.76 2.87 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 99 N 8.20 4.77 0.00 2.75 2.89 0.00 0.00 6.94 7.85 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 0.00 100 L 7.54 4.52 0.00 2.02 1.72 1.05 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 101 R 7.78 4.18 0.00 1.95 2.13 0.00 3.11 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.95 0.00 102 S 7.90 4.53 0.00 4.03 4.03 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 0.00 0.00 0.00 103 L 7.51 4.28 0.00 1.79 1.71 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 104 T 9.31 4.73 4.20 0.00 0.00 0.00 0.00 0.00 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 0.00 105 H 8.05 4.87 0.00 2.72 1.82 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.73 4.94 1.82 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 1.21 1.81 1.04 0.00 0.00 107 W 9.15 5.28 0.00 3.37 3.03 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 0.00 0.00 0.00 108 L 8.60 4.68 0.00 1.62 1.68 1.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 109 L 7.89 4.22 0.00 1.69 1.72 0.23 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 110 N 8.28 4.27 0.00 2.84 2.87 0.00 0.00 6.62 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 N 7.42 4.86 0.00 2.68 1.95 0.00 0.00 7.12 7.85 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 *121 L 8.92 4.37 0.00 1.74 1.76 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 122 Y 7.88 4.20 0.00 3.12 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 0.00 123 L 7.91 4.05 0.00 1.90 1.70 1.08 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 124 S 8.17 4.12 0.00 3.91 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 0.00 125 R 7.93 3.85 0.00 1.98 1.86 0.00 3.11 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 126 W 7.56 3.96 0.00 2.89 3.13 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 0.00 0.00 0.00 127 I 8.50 3.75 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.05 0.84 0.00 0.00 128 S 7.65 4.09 0.00 3.99 3.84 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 0.00 129 Q 7.13 4.27 0.00 1.59 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.34 0.00 0.00 0.00 0.00 0.00 2.19 2.47 0.00 130 H 6.96 2.99 0.00 1.76 1.75 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 P 0.00 4.22 0.00 2.11 2.10 0.00 2.87 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.95 0.00 132 W 7.09 4.54 0.00 3.32 3.28 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 0.00 133 L 7.33 4.70 0.00 1.26 1.63 0.59 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.38 4.62 1.96 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 1.02 0.00 0.00 0.95 0.00 0.00 135 F 8.67 4.86 0.00 1.62 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 0.00 136 G 8.20 4.12 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 0.00 0.00 0.00 137 Y 8.63 4.89 0.00 3.07 2.98 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 0.00 0.00 0.00 138 L 8.51 4.59 0.00 1.71 1.23 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 139 N 9.02 5.36 0.00 2.79 2.75 0.00 0.00 6.45 6.74 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 0.00 140 L 8.16 3.05 0.00 1.03 1.27 0.11 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 141 D 8.64 4.35 0.00 2.56 2.42 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 0.00 142 H 8.43 4.36 0.00 3.16 3.23 0.00 5.59 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.04 4.60 0.00 2.97 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 0.00 144 S 7.82 4.06 0.00 3.94 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 0.00 145 A 7.97 4.01 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 0.00 146 R 8.06 4.63 0.00 1.75 1.97 0.00 3.23 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 *152 T 8.13 4.13 4.23 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 1.21 0.00 0.00 153 P 0.00 4.51 0.00 2.15 2.14 0.00 3.75 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 154 V 8.69 3.70 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 0.98 0.00 0.00 0.95 0.00 0.00 155 R 7.97 3.79 0.00 1.87 2.04 0.00 2.90 0.00 0.00 2.90 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 156 A 7.55 4.16 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.