NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2755 8.0427 122.7486 55.1676 43.8097 174.4356 2 Q 4.8068 8.3287 128.1770 52.3627 31.4856 172.7406 3 I 4.8492 9.2639 120.5726 58.9885 42.2744 173.3451 4 F 5.4185 9.0576 119.8321 55.6495 42.5457 174.8376 5 V 4.7381 8.5917 122.5309 60.8573 34.3241 174.4057 6 K 4.6703 9.0023 131.0629 56.1899 32.9830 176.9491 7 T 4.6606 9.4332 120.4479 60.4848 70.3885 175.4091 8 L 4.0775 8.2834 120.3732 57.3848 41.6730 178.4252 9 T 4.0620 7.3260 107.3439 62.1923 69.1214 175.1658 10 G 4.0185 8.2669 111.1726 45.1126 0.0000 173.9334 11 K 3.8967 7.2184 120.1497 57.4280 33.3775 175.4073 12 T 5.2671 8.4680 121.7763 61.8211 70.8811 173.8041 13 I 4.5640 8.8668 119.8851 59.6863 41.1351 174.0994 14 T 4.9654 8.3933 118.2633 61.7381 70.5656 174.0195 15 L 4.7278 8.7375 126.0933 52.8965 44.9290 174.8549 16 E 4.8242 8.5658 123.0758 54.9998 30.7737 175.2836 17 V 4.6673 8.7103 119.3730 60.1074 36.6289 174.0579 18 E 4.7673 10.7800 121.2622 53.9005 31.5927 176.0559 19 P 4.3946 0.0000 0.0000 65.4951 31.3577 177.6943 20 S 4.6205 7.8123 112.1433 57.8542 63.4957 173.7778 21 D 4.4020 8.3762 122.5485 54.9338 41.3231 176.7689 22 T 4.6314 8.2471 113.5262 61.3717 71.0974 175.8629 23 I 3.7116 8.2971 122.7034 64.3434 37.1482 178.2448 24 E 3.9087 8.5989 120.6846 59.6129 29.5007 178.8022 25 N 4.3557 8.1889 116.2745 56.3522 38.6007 177.6436 26 V 3.6333 7.7873 119.4929 65.7738 31.4717 178.3140 27 K 4.2257 8.6453 119.8505 58.5052 31.8042 178.9830 28 A 3.9807 7.8435 120.7049 55.3846 18.3726 179.8285 29 K 3.8908 7.9168 116.4314 59.6984 31.9865 179.6893 30 I 3.7316 7.8445 120.1318 64.2845 36.7528 178.0486 31 Q 4.0806 8.2836 119.7871 59.6626 29.0167 177.6036 32 D 4.4154 8.0477 118.3620 58.1046 41.0473 179.2742 33 K 4.1304 8.3170 120.0365 58.3313 32.4187 176.5287 34 E 4.2258 8.4401 115.3165 56.6879 31.9587 176.1534 *36 I 3.9091 8.0445 119.8485 60.6056 39.3428 174.1100 37 P 4.3059 0.0000 0.0000 62.2178 32.0050 175.3723 38 P 4.2311 0.0000 0.0000 66.0357 31.4666 178.3065 39 D 4.3922 8.1087 116.4307 56.9718 41.0863 176.9068 40 Q 4.6213 8.1589 116.3111 54.9845 28.7380 174.3075 41 Q 4.9345 7.8215 118.5691 54.2201 31.3686 174.6873 42 R 4.7480 8.8225 123.2271 54.5919 33.4934 173.5025 43 L 5.1680 8.5847 125.9578 53.0587 44.5005 175.2907 44 I 5.5215 8.7281 124.4172 58.7431 40.5097 174.5288 45 F 5.0344 8.3938 126.9026 56.9999 42.7201 174.2518 46 A 3.4686 9.1126 129.3525 53.0687 15.9634 176.6195 47 G 3.8468 8.0900 103.1985 47.6113 0.0000 173.9987 48 K 4.5022 7.8960 119.1456 53.9034 34.0786 175.3793 49 Q 4.5177 8.5959 125.2270 55.9459 29.4146 175.1484 50 L 4.1825 8.5291 127.5849 54.1546 42.8399 176.2713 51 E 4.5580 9.6899 123.0361 55.0820 31.2200 177.1400 52 D 4.4022 9.0233 123.9447 57.5578 41.0808 178.7382 53 G 3.8746 7.9728 104.8977 46.7361 0.0000 173.7902 54 R 4.3184 7.7921 120.0015 55.7128 31.2966 175.2804 55 T 5.1077 8.8683 109.2813 59.5157 71.4165 175.3217 56 L 4.0284 8.4288 122.6170 58.3551 42.0823 180.4377 57 S 4.1265 8.1356 114.2154 61.5437 62.9429 176.3866 58 D 4.2388 7.7794 119.1747 57.0354 40.5313 176.7552 59 Y 4.5749 7.9185 114.1099 56.7780 37.9932 174.5585 60 N 4.1428 7.8699 116.9191 54.3439 38.0748 174.3123 61 I 3.7130 7.8260 117.7241 60.4950 38.0109 175.5384 62 Q 4.7848 8.3343 125.1520 54.0218 31.1609 174.7575 63 K 4.2922 8.5359 116.2190 58.7885 32.9242 176.4549 64 E 4.1635 8.6512 118.7060 57.1591 28.1149 175.0320 65 S 4.5576 7.9265 115.8731 59.1140 64.1280 173.1998 66 T 5.1919 8.7732 120.0780 62.0600 70.3495 173.6874 67 L 5.0145 9.4342 126.9067 53.5315 44.3139 175.1420 68 H 4.9389 9.3506 121.3985 54.6289 30.4812 173.8957 69 L 4.8332 8.3725 126.0491 53.9334 43.2386 175.7205 70 V 4.4914 8.9188 126.2513 60.6608 34.3030 174.5663 71 L 4.6119 8.6202 129.3708 55.1675 43.2809 175.6431 72 R 4.6318 9.0579 125.3809 54.4710 32.9551 175.7306 73 L 4.2986 8.4996 124.6670 54.9395 41.9296 176.2707 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 1 L 8.04 4.28 0.00 1.76 1.86 0.91 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 2 Q 8.33 4.81 0.00 2.23 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.51 0.00 0.00 0.00 0.00 0.00 1.92 2.33 0.00 3 I 9.26 4.85 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.87 0.86 0.00 0.00 4 F 9.06 5.42 0.00 3.04 2.88 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 0.00 0.00 0.00 5 V 8.59 4.74 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 1.07 0.00 0.00 0.94 0.00 0.00 6 K 9.00 4.67 0.00 1.77 1.53 0.00 1.51 0.00 0.00 1.34 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.47 7.81 7 T 9.43 4.66 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 1.29 0.00 0.00 8 L 8.28 4.08 0.00 1.66 1.77 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.33 4.06 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 10 G 8.27 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 0.00 0.00 0.00 11 K 7.22 3.90 0.00 1.85 1.73 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.47 7.81 12 T 8.47 5.27 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 1.21 0.00 0.00 13 I 8.87 4.56 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.84 0.94 0.00 0.00 14 T 8.39 4.97 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 0.99 0.00 0.00 15 L 8.74 4.73 0.00 1.49 1.47 0.90 0.64 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 16 E 8.57 4.82 0.00 1.90 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.35 0.00 17 V 8.71 4.67 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.90 0.00 0.00 18 E 10.78 4.77 0.00 2.06 1.82 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 2.22 2.21 0.00 19 P 0.00 4.39 0.00 2.20 2.30 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 20 S 7.81 4.62 0.00 3.86 3.91 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 21 D 8.38 4.40 0.00 2.78 2.60 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 22 T 8.25 4.63 4.52 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 0.00 0.00 1.28 0.00 0.00 23 I 8.30 3.71 2.15 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.95 0.87 0.00 0.00 24 E 8.60 3.91 0.00 2.14 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 2.32 2.41 0.00 25 N 8.19 4.36 0.00 2.97 2.90 0.00 0.00 6.69 6.96 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 26 V 7.79 3.63 2.22 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 1.00 0.00 0.00 0.97 0.00 0.00 27 K 8.65 4.23 0.00 1.99 1.84 0.00 1.81 0.00 0.00 1.91 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.64 1.48 7.81 28 A 7.84 3.98 1.36 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 0.00 0.00 0.00 29 K 7.92 3.89 0.00 1.96 1.86 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.70 7.81 30 I 7.84 3.73 2.13 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 1.41 0.73 0.97 0.00 0.00 31 Q 8.28 4.08 0.00 2.13 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 32 D 8.05 4.42 0.00 2.84 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 33 K 8.32 4.13 0.00 1.86 1.84 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.53 7.81 34 E 8.44 4.23 0.00 2.05 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 2.33 2.38 0.00 *36 I 8.04 3.91 1.87 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 1.41 0.48 0.91 0.00 0.00 37 P 0.00 4.31 0.00 2.17 1.99 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 38 P 0.00 4.23 0.00 2.17 2.14 0.00 3.60 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 39 D 8.11 4.39 0.00 2.67 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 40 Q 8.16 4.62 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 41 Q 7.82 4.93 0.00 2.27 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 42 R 8.82 4.75 0.00 1.85 1.92 0.00 3.05 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 43 L 8.58 5.17 0.00 1.57 1.50 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.73 5.52 1.88 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 1.10 1.44 0.91 0.00 0.00 45 F 8.39 5.03 0.00 2.95 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 46 A 9.11 3.47 0.66 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 47 G 8.09 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 0.00 0.00 0.00 48 K 7.90 4.50 0.00 1.99 1.79 0.00 1.99 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.35 7.81 49 Q 8.60 4.52 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 50 L 8.53 4.18 0.00 1.37 1.11 0.66 -0.00 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 51 E 9.69 4.56 0.00 1.99 1.92 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 0.00 2.42 2.50 0.00 52 D 9.02 4.40 0.00 2.76 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 53 G 7.97 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 54 R 7.79 4.32 0.00 2.08 1.91 0.00 3.03 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 55 T 8.87 5.11 4.30 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 1.24 0.00 0.00 56 L 8.43 4.03 0.00 1.93 1.73 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.14 4.13 0.00 3.90 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 58 D 7.78 4.24 0.00 2.22 2.33 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 59 Y 7.92 4.57 0.00 2.82 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 60 N 7.87 4.14 0.00 2.85 2.96 0.00 0.00 7.12 8.04 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 61 I 7.83 3.71 1.80 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.13 0.62 0.00 0.00 62 Q 8.33 4.78 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.96 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 63 K 8.54 4.29 0.00 1.88 1.85 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.49 7.81 64 E 8.65 4.16 0.00 2.31 2.31 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 2.56 2.38 0.00 65 S 7.93 4.56 0.00 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 0.00 66 T 8.77 5.19 4.37 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 1.27 0.00 0.00 67 L 9.43 5.01 0.00 1.59 1.61 0.86 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.35 4.94 0.00 3.05 3.23 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.37 4.83 0.00 1.68 1.73 0.92 0.94 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 70 V 8.92 4.49 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 0.95 0.00 0.00 71 L 8.62 4.61 0.00 1.68 1.55 0.98 0.86 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 72 R 9.06 4.63 0.00 1.85 1.72 0.00 3.13 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 73 L 8.50 4.30 0.00 1.67 1.55 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.