NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 32 A 4.4580 8.1227 122.4687 51.7548 21.0402 175.0048 33 L 4.6007 8.9955 122.9289 53.8576 43.3691 173.4491 34 C 5.3757 9.4432 125.6383 54.6051 44.2061 173.0464 35 A 4.6749 8.7720 123.3234 52.3023 18.8207 176.9220 36 F 4.9453 8.9162 122.5758 56.2935 42.5944 174.3208 37 K 4.1164 7.8814 126.3471 54.9683 35.9618 174.1911 38 D 4.7643 8.0199 126.6489 51.9828 43.0356 173.2032 39 P 4.1941 0.0000 0.0000 64.5467 31.5915 176.5315 40 Y 4.5437 7.8280 116.1779 58.3748 38.0152 175.9029 *55 N 4.5298 8.0954 116.0089 52.1789 38.9162 174.9263 56 G 4.0039 8.6341 106.5885 45.9543 0.0000 172.7578 57 T 5.2717 7.7146 107.7630 59.7641 72.3597 173.0009 58 I 4.4800 8.7376 121.5767 59.2990 41.9427 173.4745 59 L 4.6153 8.5155 131.1758 54.6076 42.3390 176.4225 60 C 5.0270 8.8736 124.8163 55.0581 43.4012 174.1327 61 S 4.4237 8.5308 115.6482 57.8231 63.3002 175.4158 62 K 3.9350 8.6827 120.4489 59.7587 32.1924 178.0291 63 G 3.8706 7.9606 105.4692 45.9329 0.0000 173.4984 64 S 4.8599 7.8149 116.3988 58.1558 64.6615 173.3292 65 T 4.7924 8.8133 112.0869 60.4795 72.0981 172.0114 66 C 5.6651 9.1684 118.3918 55.5782 38.0130 173.0823 67 Y 5.1084 8.7497 118.8461 55.3033 41.6481 174.2851 68 G 3.9834 8.6829 106.5463 44.2497 0.0000 171.2775 69 L 5.3480 8.3901 123.8155 53.0118 45.2194 175.5780 70 W 5.3827 9.2848 125.8393 53.9454 32.6973 174.7161 *78 N 4.5812 8.3812 116.4454 53.0533 39.0745 174.0599 79 L 3.7641 8.5805 124.3099 55.1531 42.9386 175.8799 80 V 4.0890 8.3066 126.4884 64.1497 32.5402 175.6253 81 K 4.6565 7.2577 119.6200 55.4776 35.7267 173.8697 82 Q 4.0819 8.3429 123.7472 53.9491 33.4256 174.9339 83 G 4.2044 6.2434 108.6569 46.6999 0.0000 171.2743 84 C 5.0474 9.1390 120.4309 56.1502 42.1987 172.5634 85 W 5.1525 9.4948 134.3885 55.9196 32.1437 176.1804 86 S 4.6304 7.5725 118.9024 58.3262 64.3236 174.3352 87 H 4.2303 7.2864 117.7893 55.9863 28.9321 174.3946 88 I 4.6622 8.0583 115.0822 59.8361 40.5346 175.5783 89 G 3.9385 9.6452 109.1694 45.2868 0.0000 173.4562 90 D 4.6615 7.6342 118.2788 51.3787 41.8320 173.6467 91 P 4.4423 0.0000 0.0000 64.7946 31.6106 177.8286 92 Q 4.2465 8.1540 115.8904 57.1520 29.2186 176.9339 93 E 4.1862 8.3282 119.1052 58.7802 29.8534 175.9513 94 C 5.2407 7.9751 113.8748 55.5990 37.4704 174.2533 95 H 4.1882 8.7440 119.5970 56.9950 31.0231 173.4808 96 Y 4.4731 9.0779 121.3172 58.9222 38.2979 177.1145 97 E 4.6573 9.1912 120.7454 56.3175 31.6043 176.8383 98 E 4.5007 7.9935 118.8781 54.7484 31.6109 175.9363 99 C 4.6196 8.5179 123.1466 55.3617 44.6807 171.8287 100 V 4.7822 7.9932 126.2269 60.8968 33.5184 174.8014 101 V 4.0626 8.9707 129.3312 61.8512 32.4177 176.0771 102 T 4.4383 8.3560 117.7090 61.7727 69.1218 173.3446 *113 Y 4.4485 7.6248 117.9331 58.6734 39.1066 175.1136 114 R 4.5027 8.4287 119.4084 54.8036 33.5460 173.7007 115 F 5.4722 8.8136 126.3563 56.4946 41.9622 173.2131 116 C 4.6851 7.7152 118.5380 54.1593 42.7663 170.2243 117 C 5.4593 8.1631 113.8146 54.1922 43.7557 171.2777 118 C 5.5482 8.9531 113.5110 55.9816 44.6898 174.1205 119 S 4.4963 8.9961 114.7765 58.5434 64.4184 174.7592 120 T 4.3962 7.3650 109.3965 58.9470 71.0191 173.3436 121 D 4.6850 8.4714 121.8923 56.1628 40.9579 176.4795 122 L 3.7486 9.2494 122.8330 55.7159 39.9317 174.3735 123 C 4.3473 8.1469 115.2985 57.7900 41.7181 173.8968 124 N 4.8762 7.9561 116.5666 52.6963 37.1967 176.0633 125 V 3.8217 7.5891 121.1066 65.7346 31.6652 175.3474 126 N 5.1944 7.9006 114.2432 50.9853 40.4592 172.5101 127 F 5.1234 7.4338 112.2189 55.2352 41.2379 173.7149 128 T 4.4973 8.7471 113.5869 60.2811 71.1632 173.6543 129 E 4.8520 8.4889 122.7750 55.6693 29.5800 176.1415 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 32 A 8.12 4.46 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 33 L 9.00 4.60 0.00 1.78 1.54 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 34 C 9.44 5.38 0.00 2.89 2.91 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 35 A 8.77 4.67 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 36 F 8.92 4.95 0.00 2.90 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.88 4.12 0.00 1.67 1.23 0.00 1.47 0.00 0.00 1.34 0.00 0.00 2.67 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.07 1.19 7.81 38 D 8.02 4.76 0.00 2.24 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 39 P 0.00 4.19 0.00 1.58 1.86 0.00 3.63 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.67 0.00 40 Y 7.83 4.54 0.00 3.04 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 *55 N 8.10 4.53 0.00 2.84 2.96 0.00 0.00 6.29 7.00 0.00 0.00 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 G 8.63 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 57 T 7.71 5.27 4.33 0.00 0.00 0.00 0.00 0.00 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 58 I 8.74 4.48 1.59 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 1.06 1.45 1.02 0.00 0.00 59 L 8.52 4.62 0.00 1.65 1.55 0.92 0.92 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 60 C 8.87 5.03 0.00 3.01 3.04 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 0.00 0.00 0.00 0.00 61 S 8.53 4.42 0.00 4.01 4.02 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 0.00 0.00 0.00 62 K 8.68 3.94 0.00 1.90 2.01 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.46 7.81 63 G 7.96 3.87 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 0.00 0.00 0.00 64 S 7.81 4.86 0.00 3.99 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 65 T 8.81 4.79 4.57 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 1.34 0.00 0.00 66 C 9.17 5.67 0.00 2.84 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 67 Y 8.75 5.11 0.00 2.54 2.76 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 0.00 0.00 0.00 68 G 8.68 3.98 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 0.00 0.00 0.00 69 L 8.39 5.35 0.00 1.91 1.52 1.07 0.95 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 70 W 9.28 5.38 0.00 2.99 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 *78 N 8.38 4.58 0.00 2.83 2.81 0.00 0.00 6.47 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 79 L 8.58 3.76 0.00 1.58 1.51 -0.19 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.31 4.09 2.20 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 0.83 0.00 0.00 1.01 0.00 0.00 81 K 7.26 4.66 0.00 1.85 1.70 0.00 1.86 0.00 0.00 1.95 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.55 7.81 82 Q 8.34 4.08 0.00 1.73 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.46 0.00 0.00 0.00 0.00 0.00 1.84 1.75 0.00 83 G 6.24 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 0.00 0.00 0.00 0.00 84 C 9.14 5.05 0.00 3.14 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 W 9.49 5.15 0.00 3.53 3.06 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 86 S 7.57 4.63 0.00 3.63 3.76 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 0.00 0.00 0.00 87 H 7.29 4.23 0.00 3.13 3.29 0.00 5.66 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.06 4.66 1.89 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 1.34 0.66 0.95 0.00 0.00 89 G 9.65 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 90 D 7.63 4.66 0.00 2.74 2.59 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 91 P 0.00 4.44 0.00 2.11 2.15 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 92 Q 8.15 4.25 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 93 E 8.33 4.19 0.00 2.25 2.24 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 2.60 2.50 0.00 94 C 7.98 5.24 0.00 2.99 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 95 H 8.74 4.19 0.00 3.34 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Y 9.08 4.47 0.00 3.09 2.77 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 0.00 0.00 0.00 97 E 9.19 4.66 0.00 2.12 2.16 0.00 0.00 0.00 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 2.30 0.00 98 E 7.99 4.50 0.00 2.01 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 2.31 0.00 99 C 8.52 4.62 0.00 3.23 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.99 4.78 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.87 0.00 0.00 101 V 8.97 4.06 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 0.89 0.00 0.00 0.69 0.00 0.00 102 T 8.36 4.44 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 1.24 0.00 0.00 *113 Y 7.62 4.45 0.00 3.07 2.97 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 0.00 114 R 8.43 4.50 0.00 1.40 1.13 0.00 3.05 0.00 0.00 3.21 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.24 0.00 115 F 8.81 5.47 0.00 2.94 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 0.00 116 C 7.72 4.69 0.00 2.83 3.06 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 0.00 117 C 8.16 5.46 0.00 2.88 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 C 8.95 5.55 0.00 3.15 3.30 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 0.00 119 S 9.00 4.50 0.00 3.41 3.87 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 0.00 120 T 7.37 4.40 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 121 D 8.47 4.68 0.00 2.67 2.66 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 0.00 0.00 0.00 0.00 122 L 9.25 3.75 0.00 1.79 1.72 0.92 0.73 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 0.00 123 C 8.15 4.35 0.00 3.19 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 N 7.96 4.88 0.00 2.80 2.90 0.00 0.00 5.99 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 0.00 125 V 7.59 3.82 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 0.85 0.00 0.00 1.03 0.00 0.00 126 N 7.90 5.19 0.00 2.55 2.67 0.00 0.00 5.78 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 0.00 127 F 7.43 5.12 0.00 2.75 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 0.00 0.00 0.00 0.00 128 T 8.75 4.50 4.14 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 0.00 0.00 0.00 1.18 0.00 0.00 129 E 8.49 4.85 0.00 1.89 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 0.00 2.41 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.