NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 30 T 4.4449 8.0176 115.2544 62.2356 69.4583 175.9155 31 V 3.5903 7.7597 121.3633 64.3260 31.2339 176.7824 32 G 3.6632 8.3029 106.1927 47.6125 0.0000 176.1762 33 Y 4.1900 8.0353 121.4010 60.5725 38.7341 177.8286 34 L 3.4643 7.8393 118.8544 57.3543 41.7002 178.9621 35 E 3.5726 8.1327 118.2099 59.5253 29.7823 178.9986 36 Q 4.5966 7.8228 117.4011 58.9888 28.7572 178.9968 37 K 3.7347 7.4284 116.1734 57.6964 31.4978 178.0414 *39 F 4.8730 7.9447 117.3391 57.3827 40.9632 176.3116 40 A 3.0523 7.3117 122.9974 54.6983 18.3861 179.7820 41 A 4.2299 7.5913 118.1552 52.4447 17.9580 179.6571 *43 V 3.8101 8.0107 120.8491 64.4490 33.3592 177.1500 44 A 3.9568 8.0687 120.5353 55.4411 18.2114 178.9103 45 D 4.4343 7.8207 115.6109 57.7455 40.9922 178.6289 46 N 4.4447 7.9047 115.0127 56.1215 38.6876 177.1978 47 Q 3.7728 7.6072 117.8248 55.8248 29.1922 176.6364 *49 A 4.0589 7.7873 120.0115 52.2928 20.3410 178.1463 *51 V 3.5981 7.5875 116.2989 64.0177 32.7099 177.0624 *53 L 4.2604 7.9818 119.2519 54.1762 43.1955 177.1394 54 N 4.8748 7.7097 116.4158 52.0563 39.5755 171.7514 55 P 4.3657 0.0000 0.0000 63.6250 32.8196 177.9332 56 K 4.1404 7.2584 122.2659 53.9438 31.0124 183.0505 *58 L 4.0722 7.5899 121.8614 54.9969 42.9988 175.3497 59 K 4.8186 8.2317 123.5674 54.7195 36.0767 175.8019 60 A 4.5165 8.6045 123.6197 52.6764 18.9547 176.8898 61 S 4.7692 9.0174 116.5113 57.8248 67.2813 172.2764 62 N 4.0975 7.7327 116.1939 52.2670 39.9226 173.4642 63 G 3.2982 5.9095 103.9032 45.8678 0.0000 171.5408 64 E 5.1649 8.6885 118.3358 54.3765 33.0058 175.1685 65 E 4.7836 9.3681 125.2625 54.2954 32.8055 174.0202 66 E 4.9070 8.8655 127.9852 55.2410 30.8822 175.2505 67 L 4.4612 9.3220 128.1923 54.9073 45.4710 175.1705 68 A 3.3931 9.4967 127.8082 53.2317 15.9219 177.8659 69 G 3.9010 8.4973 105.0460 46.9554 0.0000 173.7582 70 Q 4.4808 7.7778 120.3095 54.1197 32.5860 174.2411 71 T 4.5349 8.1508 121.5869 62.5572 69.6007 174.0145 72 W 4.8304 9.2788 126.6923 55.1133 32.3640 174.7250 73 Y 4.9455 9.3039 122.4974 56.3341 39.1291 174.9754 74 W 5.5744 8.6137 122.2763 55.0714 31.5329 175.4019 75 K 5.0258 9.3207 121.9499 55.4062 35.5511 174.5994 76 V 4.9769 9.5059 128.2422 61.3793 33.6837 174.2162 77 A 4.9376 9.0347 129.2829 49.3428 21.6675 173.4859 78 P 4.8424 0.0000 0.0000 63.4825 32.3205 176.1720 79 V 4.4959 8.3795 122.1499 60.6937 33.8103 175.4735 80 A 4.2618 8.7546 130.5325 52.7621 19.4242 176.8979 81 T 4.3202 7.8044 114.8747 60.9348 69.3534 172.8771 *83 Q 4.1571 8.4586 117.2693 55.7739 29.5474 173.2464 84 P 4.6014 0.0000 0.0000 63.5483 32.4430 176.6105 85 L 4.3763 7.8584 119.4756 56.3757 43.1353 176.4439 86 L 5.2786 7.9035 116.6419 52.8713 44.4641 176.4259 87 K 4.7720 9.5082 122.0026 55.0074 34.7632 175.3468 88 A 5.0258 8.4544 123.6480 50.1131 22.6223 174.9600 89 F 5.2842 8.2713 114.3190 55.3776 42.0463 173.0001 90 D 5.2070 9.2803 120.9549 52.7509 43.3964 175.3586 91 V 5.0554 9.1315 123.5237 61.1995 33.9006 174.4544 92 S 5.3903 9.4028 122.5901 56.5702 66.5042 173.1108 93 V 5.2100 8.7430 121.2213 61.3811 34.6774 174.1047 94 A 5.4016 9.3192 127.7938 50.3317 22.7438 176.3521 95 A 4.2695 8.9725 120.8204 53.7355 19.6273 177.0990 96 T 3.8788 7.2829 104.9249 60.1873 71.6605 174.4987 97 T 3.9399 7.5369 110.7039 63.6207 69.0627 175.4516 98 Q 4.1768 7.6846 119.6339 56.2967 29.4854 175.6764 99 A 4.5282 7.0390 119.4731 50.5593 20.1169 177.3470 100 S 4.3617 8.3372 116.2300 57.6334 63.5856 172.9837 101 P 4.6856 0.0000 0.0000 62.7372 31.9154 176.7920 102 I 4.0025 8.5945 122.5890 64.0315 37.5454 176.5043 103 I 4.7690 7.4991 118.7193 59.5804 41.6946 174.0375 104 T 5.1400 8.5344 123.9973 61.8181 71.8410 173.2273 105 V 4.3761 8.9225 126.5015 60.9575 34.4393 173.9708 106 R 4.8227 8.4582 127.4644 54.8352 31.9089 175.0910 107 S 4.6243 7.8801 120.4643 56.8951 67.6614 172.3829 108 Y 5.2300 8.5468 118.2892 56.2921 41.1005 175.3098 109 V 4.6590 9.1469 122.0892 60.7727 35.2632 174.4740 110 A 4.5289 8.6748 128.9649 52.0430 19.1206 177.5594 111 S 4.3831 9.1468 118.0915 58.7681 62.6269 174.3604 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 4.44 4.29 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 1.24 0.00 0.00 31 V 7.76 3.59 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 0.94 0.00 0.00 0.93 0.00 0.00 32 G 8.30 3.66 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 0.00 0.00 0.00 33 Y 8.04 4.19 0.00 3.10 3.11 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 34 L 7.84 3.46 0.00 1.72 1.54 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.13 3.57 0.00 2.07 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 2.21 2.39 0.00 36 Q 7.82 4.60 0.00 2.29 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.01 0.00 0.00 0.00 0.00 0.00 2.77 2.68 0.00 37 K 7.43 3.73 0.00 1.44 1.54 0.00 1.61 0.00 0.00 1.33 0.00 0.00 2.55 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.26 1.35 7.81 *39 F 7.94 4.87 0.00 3.12 2.95 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 40 A 7.31 3.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.59 4.23 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 *43 V 8.01 3.81 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 1.07 0.00 0.00 0.61 0.00 0.00 44 A 8.07 3.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 4.43 0.00 2.60 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 4.44 0.00 2.70 2.75 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 7.61 3.77 0.00 1.63 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.10 0.00 0.00 0.00 0.00 0.00 1.97 1.16 0.00 *49 A 7.79 4.06 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 *51 V 7.59 3.60 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 -0.10 0.00 0.00 0.52 0.00 0.00 *53 L 7.98 4.26 0.00 1.64 1.71 0.88 0.95 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 54 N 7.71 4.87 0.00 2.63 2.63 0.00 0.00 7.27 7.01 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 55 P 0.00 4.37 0.00 2.22 2.10 0.00 3.79 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 1.97 1.96 0.00 56 K 7.26 4.14 0.00 1.65 1.70 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.24 7.81 *58 L 7.59 4.07 0.00 1.87 1.67 0.84 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.23 4.82 0.00 1.75 1.71 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.45 7.81 60 A 8.60 4.52 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 9.02 4.77 0.00 3.98 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 62 N 7.73 4.10 0.00 2.38 2.65 0.00 0.00 5.81 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 5.91 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 0.00 0.00 0.00 64 E 8.69 5.16 0.00 1.68 1.52 0.00 0.00 0.00 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 2.09 0.00 65 E 9.37 4.78 0.00 2.23 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 0.00 2.27 2.28 0.00 66 E 8.87 4.91 0.00 1.99 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 2.24 2.36 0.00 67 L 9.32 4.46 0.00 1.74 1.66 0.86 1.08 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 68 A 9.50 3.39 0.40 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 69 G 8.50 3.90 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 0.00 0.00 0.00 70 Q 7.78 4.48 0.00 1.92 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 6.87 0.00 0.00 0.00 0.00 0.00 1.34 1.91 0.00 71 T 8.15 4.53 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 0.68 0.00 0.00 72 W 9.28 4.83 0.00 3.34 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 73 Y 9.30 4.95 0.00 2.95 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 74 W 8.61 5.57 0.00 3.45 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 75 K 9.32 5.03 0.00 1.91 1.77 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.43 7.81 76 V 9.51 4.98 2.28 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 0.88 0.00 0.00 1.07 0.00 0.00 77 A 9.03 4.94 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 4.84 0.00 1.98 2.06 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 79 V 8.38 4.50 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.97 0.00 0.00 80 A 8.75 4.26 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 7.80 4.32 4.35 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 1.43 0.00 0.00 *83 Q 8.46 4.16 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.72 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 84 P 0.00 4.60 0.00 2.21 2.21 0.00 3.76 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 1.95 1.98 0.00 85 L 7.86 4.38 0.00 1.63 1.75 0.92 0.60 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 86 L 7.90 5.28 0.00 1.60 1.74 0.87 0.93 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 87 K 9.51 4.77 0.00 1.75 1.78 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.43 7.81 88 A 8.45 5.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.27 5.28 0.00 3.02 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 90 D 9.28 5.21 0.00 2.60 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 9.13 5.06 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 1.13 0.00 0.00 1.25 0.00 0.00 92 S 9.40 5.39 0.00 3.95 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 0.00 93 V 8.74 5.21 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 1.11 0.00 0.00 1.09 0.00 0.00 94 A 9.32 5.40 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.97 4.27 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 7.28 3.88 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 1.13 0.00 0.00 97 T 7.54 3.94 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 0.91 0.00 0.00 98 Q 7.68 4.18 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.20 0.00 99 A 7.04 4.53 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 0.00 100 S 8.34 4.36 0.00 3.91 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 4.69 0.00 2.37 2.13 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 102 I 8.59 4.00 2.00 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 1.41 1.15 0.98 0.00 0.00 103 I 7.50 4.77 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.28 0.87 0.00 0.00 104 T 8.53 5.14 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 0.00 105 V 8.92 4.38 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 0.87 0.00 0.00 0.90 0.00 0.00 106 R 8.46 4.82 0.00 1.85 1.66 0.00 3.20 0.00 0.00 3.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.27 0.00 107 S 7.88 4.62 0.00 2.72 3.40 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 0.00 108 Y 8.55 5.23 0.00 2.78 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 0.00 109 V 9.15 4.66 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 1.03 0.00 0.00 1.18 0.00 0.00 110 A 8.67 4.53 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 0.00 111 S 9.15 4.38 0.00 3.94 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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.