NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 30 T 4.4235 8.0176 115.2538 62.2471 69.3990 176.0137 31 V 3.6462 7.7004 121.3195 64.0384 31.2865 176.6595 32 G 3.7101 8.3625 106.2379 47.8939 0.0000 176.1129 33 Y 4.1897 8.0402 121.6028 60.4242 38.7537 177.5715 34 L 3.5290 7.7264 118.7262 57.6275 41.7343 179.1406 35 E 3.5841 8.2127 117.8873 59.3651 29.6784 178.9659 36 Q 4.6075 7.8435 117.6427 58.9881 28.8455 179.0810 37 K 3.9305 7.5685 116.1261 57.9441 31.6292 177.8921 *39 F 4.8235 7.9302 117.0425 57.4795 41.0938 176.1994 40 A 2.9406 7.4900 123.1467 54.7818 18.3533 180.3773 41 A 4.0833 7.6565 117.4473 52.4682 17.9209 179.6362 *43 V 3.9470 8.0255 120.5370 64.4912 33.3206 177.2425 44 A 3.9416 7.9502 120.1667 55.4646 18.2275 178.8995 45 D 4.4245 7.7378 115.7019 57.7505 40.9569 178.6766 46 N 4.4468 7.8956 115.2895 55.9187 38.8529 176.2270 47 Q 3.8483 7.7943 118.3396 55.9263 29.7224 176.4009 *49 A 4.0678 7.8134 119.2428 52.2765 20.3285 178.0322 *51 V 3.6096 7.6030 116.5520 64.2368 32.7645 177.2077 *53 L 4.2723 8.0565 119.0068 53.9428 43.2686 177.2301 54 N 4.8755 7.6978 115.8038 51.5279 38.9685 171.5201 55 P 4.5361 0.0000 0.0000 62.7008 32.4501 178.6736 56 K 4.1059 7.9615 121.4832 57.7911 32.4464 182.5076 57 N 4.6625 7.7191 117.6515 51.7371 37.3503 175.5914 58 L 4.1551 7.4318 119.9585 54.1636 42.8600 175.5829 59 K 4.6331 8.1650 123.8892 54.3408 35.8233 175.6283 60 A 4.5062 8.5490 122.1631 52.5983 18.7327 176.9378 61 S 4.8910 9.0319 116.6006 57.3934 67.3467 172.3968 62 N 4.6161 8.0166 115.8843 52.2113 40.0617 174.5054 63 G 3.3827 5.9323 104.3084 45.9859 0.0000 171.6731 64 E 5.1638 8.6945 118.4743 54.4194 33.4818 175.1684 65 E 4.7685 9.2686 123.9041 54.3827 33.1323 173.9085 66 E 4.7979 8.9498 128.2292 55.5812 30.9687 175.5610 67 L 4.3819 9.2651 128.1668 54.9188 45.5499 175.1788 68 A 3.6996 9.4650 129.2889 53.3076 15.7918 177.7740 69 G 3.8908 8.3577 105.9515 46.5223 0.0000 173.4695 70 Q 4.4620 7.6803 120.5730 54.0786 32.2279 174.4716 71 T 4.3962 8.2301 122.7099 63.0723 69.2901 173.8722 72 W 4.7876 9.2903 126.8873 55.1532 32.1843 174.8847 73 Y 4.9544 9.2723 122.4133 56.3649 39.0133 174.9056 74 W 5.5424 8.5928 122.3639 55.0457 31.3401 175.2912 75 K 5.2041 9.3916 121.9567 55.1429 35.7636 174.7100 76 V 4.9948 9.3228 127.4305 61.2019 34.0203 174.1097 77 A 4.7872 9.1759 129.2977 49.3789 21.6350 173.4689 78 P 4.7590 0.0000 0.0000 63.7804 32.3116 176.2202 79 V 4.5103 8.2485 121.7519 60.6470 33.9370 175.4357 80 A 4.1854 8.8362 130.5343 52.6509 18.9792 176.3970 81 T 4.7652 8.0683 114.4405 60.6988 70.4613 173.4156 82 T 4.4301 8.4638 123.1398 63.5329 68.7452 174.2726 83 Q 4.5712 7.2312 116.7328 55.1869 31.3698 172.0409 84 P 4.5588 0.0000 0.0000 64.0596 32.2704 177.4365 85 L 4.1701 8.0109 118.8804 57.0103 41.9305 176.8018 86 L 5.1066 7.7175 116.1188 52.9036 44.2777 176.1956 87 K 4.8107 9.1431 121.5592 54.8010 35.0059 175.2464 88 A 5.1024 8.5028 124.0603 50.1820 22.5641 175.0473 89 F 5.3531 8.2356 113.5690 55.5022 41.9739 173.0025 90 D 5.2284 9.1118 120.5520 52.8682 43.3283 175.4344 91 V 5.0430 9.0269 123.2607 61.2177 33.8394 174.4922 92 S 5.3572 9.3439 122.4231 56.5805 66.5902 173.1460 93 V 5.1286 8.8698 121.0620 61.4268 34.5368 174.0964 94 A 5.3823 9.4905 128.4241 49.9921 22.5477 176.6531 95 A 4.0005 8.9933 121.5597 54.6374 18.7694 177.2205 96 T 4.0755 7.3462 103.8833 60.2350 71.7712 173.5990 97 T 3.8846 7.6247 110.2054 63.8897 69.2114 175.5764 98 Q 4.1300 7.8056 119.8879 57.4743 29.6379 176.1667 99 A 4.1221 7.9256 119.7106 52.2567 18.9338 177.4360 100 S 4.3876 8.3720 116.0276 57.4493 63.6315 172.9869 101 P 4.6748 0.0000 0.0000 63.0175 31.7702 176.6329 102 I 4.1016 8.7160 122.5196 64.0598 37.9353 176.5456 103 I 4.7063 7.6589 120.8472 59.5579 41.6394 174.0326 104 T 5.1935 8.5928 124.5765 61.8086 71.6789 173.2562 105 V 4.4042 8.9171 126.5250 60.9321 34.6020 173.9577 106 R 4.8970 8.4660 127.1485 54.7656 31.9957 175.0500 107 S 4.5704 7.9869 120.5327 56.8519 67.5824 172.4216 108 Y 5.0896 8.4824 118.5211 56.2425 41.0764 175.2081 109 V 4.6338 8.9760 122.2793 60.5935 35.3591 175.5082 110 A 4.2165 8.6419 127.6599 52.6073 18.2556 177.4427 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 30 T 8.02 4.42 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 31 V 7.70 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 0.95 0.00 0.00 0.98 0.00 0.00 32 G 8.36 3.71 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 0.00 0.00 0.00 33 Y 8.04 4.19 0.00 3.07 3.09 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 0.00 0.00 0.00 0.00 34 L 7.73 3.53 0.00 1.78 1.58 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.21 3.58 0.00 2.11 2.07 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 2.30 2.39 0.00 36 Q 7.84 4.61 0.00 2.29 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.98 0.00 0.00 0.00 0.00 0.00 2.73 2.69 0.00 37 K 7.57 3.93 0.00 1.43 1.51 0.00 1.57 0.00 0.00 0.83 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.26 1.30 7.81 *39 F 7.93 4.82 0.00 3.12 2.93 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 40 A 7.49 2.94 0.95 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 41 A 7.66 4.08 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 *43 V 8.03 3.95 1.97 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 1.20 0.00 0.00 0.73 0.00 0.00 44 A 7.95 3.94 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 7.74 4.42 0.00 2.62 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 46 N 7.90 4.45 0.00 2.72 2.76 0.00 0.00 6.93 7.69 0.00 0.00 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 7.79 3.85 0.00 1.66 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.18 0.00 0.00 0.00 0.00 0.00 2.10 1.16 0.00 *49 A 7.81 4.07 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.60 3.61 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.60 0.00 0.00 *53 L 8.06 4.27 0.00 1.65 1.72 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 54 N 7.70 4.88 0.00 2.59 2.61 0.00 0.00 7.25 7.92 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 55 P 0.00 4.54 0.00 2.21 2.08 0.00 3.80 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 56 K 7.96 4.11 0.00 1.80 1.76 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.03 7.81 57 N 7.72 4.66 0.00 2.68 2.80 0.00 0.00 6.84 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 58 L 7.43 4.16 0.00 1.77 1.57 0.79 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.17 4.63 0.00 1.84 1.70 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.43 7.81 60 A 8.55 4.51 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 61 S 9.03 4.89 0.00 4.03 4.01 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 62 N 8.02 4.62 0.00 2.50 2.66 0.00 0.00 5.82 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 63 G 5.93 3.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.69 5.16 0.00 1.70 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.14 0.00 65 E 9.27 4.77 0.00 2.25 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 2.29 2.30 0.00 66 E 8.95 4.80 0.00 2.00 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 2.26 2.36 0.00 67 L 9.27 4.38 0.00 1.76 1.65 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 68 A 9.46 3.70 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.36 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 0.00 0.00 0.00 70 Q 7.68 4.46 0.00 1.97 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.72 6.96 0.00 0.00 0.00 0.00 0.00 1.32 1.91 0.00 71 T 8.23 4.40 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 0.63 0.00 0.00 72 W 9.29 4.79 0.00 3.37 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 9.27 4.95 0.00 3.06 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 74 W 8.59 5.54 0.00 3.46 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 75 K 9.39 5.20 0.00 1.92 1.76 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.41 7.81 76 V 9.32 4.99 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 0.86 0.00 0.00 1.06 0.00 0.00 77 A 9.18 4.79 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 78 P 0.00 4.76 0.00 1.98 2.06 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 79 V 8.25 4.51 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 0.76 0.00 0.00 0.93 0.00 0.00 80 A 8.84 4.19 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 81 T 8.07 4.77 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 82 T 8.46 4.43 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 1.22 0.00 0.00 83 Q 7.23 4.57 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.90 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 84 P 0.00 4.56 0.00 2.21 2.22 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 85 L 8.01 4.17 0.00 1.67 1.77 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.72 5.11 0.00 1.61 1.73 0.87 0.87 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 87 K 9.14 4.81 0.00 1.76 1.76 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.42 7.81 88 A 8.50 5.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.24 5.35 0.00 3.00 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 90 D 9.11 5.23 0.00 2.64 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.03 5.04 2.14 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 1.12 0.00 0.00 1.19 0.00 0.00 92 S 9.34 5.36 0.00 3.95 3.96 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 93 V 8.87 5.13 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 1.18 0.00 0.00 1.09 0.00 0.00 94 A 9.49 5.38 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 95 A 8.99 4.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 T 7.35 4.08 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 1.13 0.00 0.00 97 T 7.62 3.88 4.09 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 0.00 0.00 0.00 0.91 0.00 0.00 98 Q 7.81 4.13 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 99 A 7.93 4.12 1.26 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 0.00 0.00 100 S 8.37 4.39 0.00 3.92 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 0.00 101 P 0.00 4.67 0.00 2.36 2.14 0.00 3.81 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 2.04 2.04 0.00 102 I 8.72 4.10 1.99 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.16 0.98 0.00 0.00 103 I 7.66 4.71 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.29 0.90 0.00 0.00 104 T 8.59 5.19 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 0.00 105 V 8.92 4.40 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 0.69 0.00 0.00 0.90 0.00 0.00 106 R 8.47 4.90 0.00 1.83 1.68 0.00 3.23 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.33 0.00 107 S 7.99 4.57 0.00 2.72 3.20 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 0.00 108 Y 8.48 5.09 0.00 2.79 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 0.00 109 V 8.98 4.63 2.19 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 1.12 0.00 0.00 1.21 0.00 0.00 110 A 8.64 4.22 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 * Residues marked with a * may have inaccurate shift predictions.