NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2003 8.2649 123.5824 50.7558 20.7071 176.9701 3 K 3.6948 7.9845 113.7630 55.5351 30.3981 173.0612 4 E 4.6482 8.0852 128.4032 54.3029 30.4141 175.7418 5 P 4.8408 0.0000 0.0000 62.0530 30.6621 179.5173 6 C 4.5381 8.6780 116.5300 60.1648 26.7423 171.3299 7 V 4.4678 7.7980 125.1298 62.5238 36.6311 175.8125 8 E 4.0373 7.7228 119.4069 59.0502 29.4384 179.0491 9 S 4.3926 7.9353 113.3179 60.4860 63.5889 175.6311 10 L 4.2299 7.9187 119.9894 57.6388 40.7584 178.6743 11 V 3.7967 7.9764 118.3615 64.6182 31.7498 176.2179 12 S 4.8274 7.3880 115.9440 55.3390 60.9929 170.9538 13 Q 4.7513 8.0216 126.2442 55.9074 36.1130 174.8954 14 Y 4.4743 7.6873 115.0150 59.0779 38.6197 177.0299 15 F 4.2447 8.3427 114.3146 60.0692 38.2373 177.0552 16 Q 3.6928 6.5338 117.4664 58.9445 28.5964 178.1518 17 T 3.9398 7.7312 117.6721 65.8667 68.2135 176.7872 18 V 3.0023 6.7723 119.3376 64.1225 31.5772 177.2781 19 T 3.9323 7.1980 116.0996 65.1119 69.1290 176.5892 20 D 4.2471 7.8324 122.0229 57.5046 40.9917 178.3540 21 Y 4.8058 6.7637 119.0056 58.8931 37.5425 177.9257 22 G 3.7726 7.3607 107.8799 47.0618 0.0000 175.6809 23 K 4.1516 7.7358 119.6117 58.6473 31.8581 178.9491 24 D 4.4023 7.7496 118.7236 57.1741 40.8363 178.3424 25 L 4.1097 7.7568 118.4605 57.2597 41.5874 178.9470 26 M 4.0940 7.7542 118.5950 58.3321 31.8709 177.7921 27 E 4.0800 8.0242 117.5056 58.5445 30.1023 178.1768 28 K 4.2232 7.6425 116.7465 57.7026 32.3229 178.5445 29 V 4.1229 7.4692 118.4206 62.7472 32.5558 176.6647 30 K 4.7759 7.7281 119.3855 55.3717 32.1363 177.5450 31 S 4.6386 7.7528 112.3437 59.3439 67.6606 174.2472 32 P 4.3269 0.0000 0.0000 64.2986 31.4613 176.4228 33 E 3.8569 7.7535 120.6640 57.9883 29.9786 177.1321 34 L 3.5865 8.5710 124.9387 56.6958 39.1847 173.4710 35 Q 4.2252 7.5734 119.1829 56.0746 31.0045 175.2431 36 A 4.0755 8.5427 119.8658 55.5600 17.8010 179.4641 37 E 4.2577 8.3836 115.6576 58.2560 29.5009 178.7956 38 A 3.8206 7.5533 120.9634 54.7928 18.5253 179.1930 39 K 4.5066 8.1297 117.0947 59.1958 32.2195 179.4575 40 S 4.5562 8.0426 115.1023 60.4850 63.0488 175.6777 41 Y 3.9554 7.5590 123.6408 60.6292 38.1024 177.6996 42 F 4.3742 7.8589 118.7912 60.5717 38.5885 177.5471 43 E 4.0781 8.2952 117.6626 59.5716 29.2443 179.4573 44 K 4.2975 7.9832 118.4378 58.8196 32.2355 179.3250 45 S 4.3739 8.3779 114.8358 61.3068 63.1174 176.5812 46 K 4.1952 7.9764 121.3516 58.5387 31.3670 178.2128 47 E 4.4025 7.8737 117.4623 57.2077 29.1357 177.9113 48 Q 4.4223 7.7407 116.8045 56.1095 32.0338 177.3366 49 L 4.1017 7.9692 119.1510 58.4299 42.2012 179.0840 50 T 3.9197 7.7204 114.9817 66.3310 68.6578 175.1566 51 P 4.3363 0.0000 0.0000 64.8552 31.0123 178.4599 52 L 3.9204 7.2252 118.2027 58.3367 42.5080 178.6579 53 I 3.9809 7.6511 118.8027 63.5374 37.1715 177.9707 54 K 4.0325 8.0698 120.4939 58.8286 31.8223 178.5535 55 K 3.9773 8.0020 119.1315 58.7711 31.7516 178.2507 56 A 4.3762 7.4142 122.3253 54.0752 17.9752 179.7624 57 G 3.5338 7.7364 104.8173 48.2269 0.0000 175.4445 58 T 4.1237 7.3077 112.9491 61.1771 67.8243 175.2021 59 E 3.1929 7.9057 121.2086 58.1821 28.6510 178.4022 60 L 3.8831 8.7569 129.0665 59.4218 41.1735 178.9873 61 V 3.5579 7.4874 117.8188 65.7660 31.3704 177.0990 62 N 4.5363 7.8013 116.9809 56.6992 39.0062 176.7923 63 F 4.4334 8.1333 118.3627 59.7041 38.7452 177.3624 64 L 4.0505 7.7361 119.7725 58.1950 41.9946 178.5430 65 S 4.2339 7.5503 110.9882 61.2044 62.2783 174.7629 66 Y 4.4294 7.8761 119.2278 59.3709 38.1605 176.0569 67 F 4.9840 7.6665 129.7132 56.9136 38.3327 175.1667 68 V 4.4104 8.1467 121.9573 63.5424 35.0244 176.0097 69 E 4.0824 8.3524 118.6938 56.7822 29.8203 176.0729 70 L 4.8521 8.1788 122.7094 53.6859 45.4013 175.5312 71 G 4.1670 8.2992 105.9869 45.4452 0.0000 172.8184 72 T 4.3000 8.0802 115.9441 61.7479 69.4324 174.5889 73 Q 4.6587 8.0604 128.0270 54.5702 29.0721 172.9170 74 P 4.3808 0.0000 0.0000 63.2146 32.6588 176.1415 75 A 4.2375 8.1182 122.1880 51.3595 21.8342 175.6257 *77 Q 4.0731 8.7232 121.7735 56.3691 29.2439 174.8802 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 2 A 8.26 4.20 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 3 K 7.98 3.69 0.00 2.01 1.77 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.47 7.81 4 E 8.09 4.65 0.00 1.90 1.88 0.00 0.00 0.00 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 2.31 0.00 5 P 0.00 4.84 0.00 2.22 1.79 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 6 C 8.68 4.54 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 7 V 7.80 4.47 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 0.70 0.00 0.00 0.94 0.00 0.00 8 E 7.72 4.04 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 9 S 7.94 4.39 0.00 3.89 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 10 L 7.92 4.23 0.00 1.83 1.74 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.98 3.80 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 0.87 0.00 0.00 0.98 0.00 0.00 12 S 7.39 4.83 0.00 3.87 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 13 Q 8.02 4.75 0.00 2.39 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 14 Y 7.69 4.47 0.00 3.01 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 15 F 8.34 4.24 0.00 3.19 3.14 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 0.00 16 Q 6.53 3.69 0.00 1.70 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 1.79 1.16 0.00 17 T 7.73 3.94 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 1.36 0.00 0.00 18 V 6.77 3.00 1.38 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 0.49 0.00 0.00 0.85 0.00 0.00 19 T 7.20 3.93 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 20 D 7.83 4.25 0.00 2.72 2.65 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 0.00 0.00 0.00 0.00 21 Y 6.76 4.81 0.00 3.04 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 22 G 7.36 3.77 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 0.00 0.00 0.00 23 K 7.74 4.15 0.00 1.95 1.84 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.67 7.81 24 D 7.75 4.40 0.00 2.91 2.74 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 0.00 0.00 0.00 0.00 25 L 7.76 4.11 0.00 1.87 1.73 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 26 M 7.75 4.09 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.61 0.00 27 E 8.02 4.08 0.00 2.12 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 2.29 2.56 0.00 28 K 7.64 4.22 0.00 1.84 1.87 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.65 1.59 7.81 29 V 7.47 4.12 2.15 0.00 0.00 0.00 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 0.94 0.00 0.00 30 K 7.73 4.78 0.00 1.88 1.87 0.00 1.64 0.00 0.00 1.61 0.00 0.00 3.12 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.42 7.81 31 S 7.75 4.64 0.00 3.94 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 32 P 0.00 4.33 0.00 2.21 2.23 0.00 3.85 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 1.99 2.10 0.00 33 E 7.75 3.86 0.00 2.21 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 2.34 2.41 0.00 34 L 8.57 3.59 0.00 1.88 1.79 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.57 4.23 0.00 2.36 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 36 A 8.54 4.08 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 37 E 8.38 4.26 0.00 2.16 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 0.00 2.38 2.18 0.00 38 A 7.55 3.82 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.13 4.51 0.00 2.08 2.02 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.61 1.72 7.81 40 S 8.04 4.56 0.00 4.06 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.56 3.96 0.00 2.87 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.86 4.37 0.00 3.32 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 43 E 8.30 4.08 0.00 2.21 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 0.00 2.47 2.51 0.00 44 K 7.98 4.30 0.00 1.63 1.82 0.00 1.50 0.00 0.00 1.49 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.44 7.81 45 S 8.38 4.37 0.00 4.16 4.32 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 46 K 7.98 4.20 0.00 2.04 1.93 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.51 1.77 7.81 47 E 7.87 4.40 0.00 2.15 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 2.34 2.63 0.00 48 Q 7.74 4.42 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.07 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 49 L 7.97 4.10 0.00 1.84 1.67 0.93 1.27 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 50 T 7.72 3.92 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 1.21 0.00 0.00 51 P 0.00 4.34 0.00 2.15 2.10 0.00 3.54 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.15 0.00 52 L 7.23 3.92 0.00 1.96 1.88 0.92 1.05 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 53 I 7.65 3.98 1.86 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 1.52 0.85 0.90 0.00 0.00 54 K 8.07 4.03 0.00 2.12 1.79 0.00 1.51 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.48 7.81 55 K 8.00 3.98 0.00 2.04 1.94 0.00 1.68 0.00 0.00 1.63 0.00 0.00 3.14 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.42 7.81 56 A 7.41 4.38 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 57 G 7.74 3.53 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 58 T 7.31 4.12 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 1.18 0.00 0.00 59 E 7.91 3.19 0.00 1.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.38 0.00 60 L 8.76 3.88 0.00 1.84 1.86 0.90 0.41 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 61 V 7.49 3.56 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 0.84 0.00 0.00 0.96 0.00 0.00 62 N 7.80 4.54 0.00 2.95 2.84 0.00 0.00 7.27 7.56 0.00 0.00 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 F 8.13 4.43 0.00 2.99 2.82 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 64 L 7.74 4.05 0.00 1.92 1.94 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.55 4.23 0.00 3.70 3.68 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 0.00 0.00 0.00 0.00 66 Y 7.88 4.43 0.00 2.77 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.67 4.98 0.00 3.04 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 68 V 8.15 4.41 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 0.86 0.00 0.00 1.02 0.00 0.00 69 E 8.35 4.08 0.00 2.03 1.91 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 2.35 2.40 0.00 70 L 8.18 4.85 0.00 1.58 1.56 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.30 4.17 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 0.00 0.00 0.00 72 T 8.08 4.30 4.24 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 1.21 0.00 0.00 73 Q 8.06 4.66 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.71 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 74 P 0.00 4.38 0.00 2.20 2.10 0.00 3.80 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 1.98 1.96 0.00 75 A 8.12 4.24 1.21 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 *77 Q 8.72 4.07 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.60 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.