NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.4959 8.3649 119.5375 53.1519 41.1408 178.7346 4 H 4.3373 8.4285 111.5612 55.6262 29.9118 168.9545 5 V 4.4729 8.4447 121.0112 61.4923 35.6923 173.3501 6 Y 5.2113 8.8114 123.8722 56.0858 41.3978 174.6505 7 K 4.4652 8.2050 122.8564 54.6171 35.2330 174.9630 8 I 4.8274 8.1442 125.9062 59.7556 39.4688 175.1980 9 V 4.4722 8.5548 120.7306 59.5769 34.5926 174.5690 10 E 5.0411 8.6795 124.4350 54.8192 30.8439 174.9805 11 L 4.9295 8.9087 126.3052 53.0823 46.2975 175.4796 12 T 4.9264 8.5157 116.0570 60.3779 69.4586 173.6035 13 G 4.5349 8.7836 116.4484 44.9662 0.0000 172.0003 14 S 5.4619 8.2239 115.1529 56.6413 65.8928 173.0538 15 S 4.8100 8.6495 117.4193 57.0318 65.8698 173.6116 16 P 4.9018 0.0000 0.0000 63.1655 31.7990 176.2912 17 N 4.6604 9.3806 116.7901 52.7790 39.8753 175.3862 18 G 2.9567 7.2645 103.9134 44.2833 0.0000 172.6649 19 I 3.5929 7.1441 119.3895 64.5885 37.0894 178.3827 20 E 3.9597 7.9801 118.8180 59.4196 29.1755 179.2941 21 E 3.9090 7.9762 117.9616 59.1557 29.7120 178.7435 22 A 3.9969 8.1081 120.9504 55.4809 18.3461 180.1875 23 V 3.5065 7.7909 110.7539 64.3697 31.5628 178.4666 24 N 4.1780 8.0400 116.3250 56.3302 38.2704 177.0488 25 N 4.2344 8.3355 117.6163 56.3339 38.7727 177.2091 26 A 3.9365 7.8766 121.4800 55.3219 18.4734 179.6467 27 I 3.5913 7.9655 118.2738 64.0784 37.2523 178.1477 28 A 3.9437 8.5021 122.0872 55.6806 17.2474 180.0655 29 R 3.8715 8.3025 116.0561 59.1455 30.0350 179.2771 30 A 4.2912 7.9836 120.8435 54.8957 18.1569 179.9281 31 G 3.6030 8.0104 103.4943 47.6193 0.0000 175.5110 32 E 4.0568 7.8233 119.8280 59.2552 29.5635 178.4049 33 T 4.2537 7.1470 111.2169 61.8666 68.4046 174.0183 34 L 4.5016 7.8764 119.9061 52.6373 44.1738 175.3771 35 R 4.4553 7.3618 114.3650 56.1543 32.6007 174.2299 36 H 4.1006 8.7007 114.4953 56.8552 25.5487 175.3988 37 L 4.5289 8.0244 118.6993 55.5067 42.3094 176.6648 38 R 4.8529 9.2800 122.4498 57.1384 32.2219 176.0572 39 W 5.5753 7.8728 113.7146 55.1574 32.1589 172.8741 40 F 5.3398 8.4405 114.0392 55.4308 41.1274 173.3451 41 E 4.6238 9.3623 119.7645 54.4259 33.1430 174.2988 42 V 4.3560 8.6766 127.3624 62.9675 31.5960 175.8769 43 V 4.1196 8.5499 127.9738 62.8863 32.7474 175.9644 44 D 4.5163 7.3213 117.8700 53.9317 44.3328 174.8088 45 T 5.0733 8.8651 121.9076 62.1037 71.4214 173.2251 46 R 4.7503 9.1677 125.0029 55.0096 35.0679 173.9269 47 G 4.0654 8.1449 104.4413 44.2007 0.0000 172.3107 48 H 4.8969 8.5214 120.7001 54.5804 31.8675 173.6153 49 I 4.8169 7.8491 125.6302 59.4857 39.2244 174.7070 50 E 4.5511 9.1164 127.5319 55.1546 33.2342 174.7865 51 G 3.7931 8.6051 114.3551 47.3001 0.0000 174.8559 52 G 4.2102 8.6451 108.3645 44.5205 0.0000 172.3500 53 R 4.5763 7.6931 113.9356 53.4653 32.7610 174.4855 54 V 3.8595 8.2940 120.0813 63.1926 31.4076 175.2181 55 N 4.8283 8.7318 124.5158 53.3751 39.7420 174.2796 56 H 5.2724 7.7007 116.6804 53.8947 33.2983 172.1995 57 W 4.7509 9.6801 124.3468 55.8800 30.8567 175.4132 58 Q 4.7403 9.4791 124.6958 54.3724 30.8544 174.5619 59 V 4.4263 8.5545 125.4461 61.3915 33.6840 174.3702 60 T 5.1943 8.8540 123.4862 60.8557 69.4609 173.6578 61 V 5.0378 9.0349 126.4860 60.2321 35.5868 173.6057 62 K 4.9908 9.4300 122.3909 54.8028 34.5881 175.1973 63 V 4.5177 8.9127 125.7555 60.9741 34.0469 174.2903 64 G 3.1148 8.1763 115.9491 44.1362 0.0000 172.4720 65 F 5.6874 8.3449 118.7274 55.2708 41.9174 173.8985 66 T 4.3424 8.9159 118.4413 63.6989 68.8807 174.1049 67 L 4.1731 8.3515 127.3540 54.8826 42.2105 174.4518 68 E 4.2056 9.2169 119.6982 56.8344 32.2999 176.1348 *69 G 3.7113 8.3523 111.7602 45.0417 0.0000 172.4185 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 3 D 8.36 4.50 0.00 2.71 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 4 H 8.43 4.34 0.00 2.92 3.04 0.00 5.81 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.44 4.47 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.89 0.00 0.00 6 Y 8.81 5.21 0.00 2.97 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 7 K 8.21 4.47 0.00 1.42 0.74 0.00 1.54 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.21 1.27 7.81 8 I 8.14 4.83 1.85 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.77 0.86 0.00 0.00 9 V 8.55 4.47 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 0.88 0.00 0.00 1.08 0.00 0.00 10 E 8.68 5.04 0.00 1.98 1.86 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 2.22 2.34 0.00 11 L 8.91 4.93 0.00 1.57 1.46 0.88 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.52 4.93 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 1.21 0.00 0.00 13 G 8.78 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.22 5.46 0.00 3.84 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 15 S 8.65 4.81 0.00 3.97 3.69 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 0.00 0.00 0.00 0.00 16 P 0.00 4.90 0.00 2.27 2.17 0.00 3.46 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 17 N 9.38 4.66 0.00 2.71 2.86 0.00 0.00 6.82 7.75 0.00 0.00 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 G 7.26 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 0.00 0.00 0.00 19 I 7.14 3.59 1.69 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.03 0.90 0.00 0.00 20 E 7.98 3.96 0.00 1.98 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 0.00 2.38 2.45 0.00 21 E 7.98 3.91 0.00 2.14 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 0.00 2.35 2.38 0.00 22 A 8.11 4.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.79 3.51 1.76 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 0.84 0.00 0.00 0.40 0.00 0.00 24 N 8.04 4.18 0.00 2.95 2.81 0.00 0.00 7.00 7.07 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 25 N 8.34 4.23 0.00 2.89 2.84 0.00 0.00 6.91 7.61 0.00 0.00 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 A 7.88 3.94 1.33 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 0.00 0.00 0.00 27 I 7.97 3.59 1.79 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.41 0.83 0.00 0.00 28 A 8.50 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 29 R 8.30 3.87 0.00 1.91 1.95 0.00 3.26 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 30 A 7.98 4.29 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 31 G 8.01 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.82 4.06 0.00 2.09 1.99 0.00 0.00 0.00 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 2.42 0.00 33 T 7.15 4.25 4.18 0.00 0.00 0.00 0.00 0.00 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 34 L 7.88 4.50 0.00 1.27 0.84 0.68 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.36 4.46 0.00 1.61 1.72 0.00 3.12 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.83 0.00 36 H 8.70 4.10 0.00 3.61 3.56 0.00 5.82 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 37 L 8.02 4.53 0.00 1.68 1.67 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 38 R 9.28 4.85 0.00 2.12 2.31 0.00 3.50 0.00 0.00 3.46 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 39 W 7.87 5.58 0.00 3.27 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.44 5.34 0.00 3.06 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 41 E 9.36 4.62 0.00 2.11 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 2.26 0.00 42 V 8.68 4.36 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.15 0.00 0.00 43 V 8.55 4.12 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 0.78 0.00 0.00 0.96 0.00 0.00 44 D 7.32 4.52 0.00 2.81 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.87 5.07 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 1.46 0.00 0.00 46 R 9.17 4.75 0.00 1.67 1.80 0.00 3.29 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 47 G 8.14 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 0.00 0.00 0.00 0.00 48 H 8.52 4.90 0.00 3.22 3.30 0.00 5.56 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.85 4.82 1.73 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 1.07 0.58 0.82 0.00 0.00 50 E 9.12 4.55 0.00 2.11 1.71 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 2.19 2.26 0.00 51 G 8.61 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 52 G 8.65 4.21 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 0.00 0.00 0.00 53 R 7.69 4.58 0.00 1.93 1.96 0.00 2.78 0.00 0.00 3.09 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.79 0.00 54 V 8.29 3.86 1.83 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 -0.25 0.00 0.00 0.57 0.00 0.00 55 N 8.73 4.83 0.00 2.69 2.97 0.00 0.00 6.28 7.70 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 56 H 7.70 5.27 0.00 3.10 3.19 0.00 5.80 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 W 9.68 4.75 0.00 3.41 3.23 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 0.00 58 Q 9.48 4.74 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 59 V 8.55 4.43 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 0.98 0.00 0.00 1.03 0.00 0.00 60 T 8.85 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 1.33 0.00 0.00 61 V 9.03 5.04 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 0.65 0.00 0.00 1.06 0.00 0.00 62 K 9.43 4.99 0.00 1.70 1.74 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.38 7.81 63 V 8.91 4.52 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 0.95 0.00 0.00 0.90 0.00 0.00 64 G 8.18 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 0.00 0.00 0.00 65 F 8.34 5.69 0.00 3.27 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 66 T 8.92 4.34 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 0.99 0.00 0.00 67 L 8.35 4.17 0.00 1.58 1.59 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 68 E 9.22 4.21 0.00 2.02 1.79 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 2.12 2.34 0.00 *69 G 8.35 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 * Residues marked with a * may have inaccurate shift predictions.