NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3598 8.3049 120.3420 53.6313 34.0219 174.9298 2 I 4.0391 7.9482 117.0021 58.3802 39.6131 173.6736 3 K 4.3384 9.1212 128.1137 53.7389 33.6880 173.5162 4 P 4.4254 0.0000 0.0000 62.3498 30.7253 175.6940 5 L 4.7136 8.2934 120.7181 54.1909 44.5910 176.8451 6 G 3.8196 8.0522 110.4758 47.4060 0.0000 174.6522 7 D 4.9432 8.4278 119.8244 54.5267 40.4984 174.0231 8 R 5.3361 7.6018 115.0691 54.6615 35.1018 176.0114 9 V 4.8353 8.8566 112.2735 60.0862 36.7887 174.3475 10 V 4.6843 9.0763 123.3524 61.3247 33.7440 174.9477 11 V 4.9944 8.5798 120.2275 59.4186 36.1946 174.4357 12 K 4.7295 8.9108 125.8578 55.1747 33.2281 176.3440 13 R 4.4869 8.8071 127.8990 57.1836 30.6932 175.2788 14 I 4.2167 8.2627 119.8646 62.1830 39.2265 174.6409 *34 P 4.2615 0.0000 0.0000 62.3662 32.5204 175.7622 35 Q 4.3771 8.4361 120.5314 53.8223 33.0376 174.4294 36 K 5.0481 8.2436 120.3788 54.8365 35.4324 175.4142 37 G 4.6668 9.0916 110.0010 45.0429 0.0000 171.1888 38 K 5.0190 9.1086 123.0114 54.4167 34.2390 175.6221 39 V 4.2027 9.1299 128.7018 63.3770 31.6555 175.9333 40 I 4.0264 8.7352 122.2394 61.3764 39.0908 175.7816 41 A 4.8419 7.5588 123.5889 50.8360 22.4723 175.3893 42 V 4.5547 8.2487 114.1737 59.4754 35.2546 176.7517 43 G 4.0510 9.2554 112.9290 45.9170 0.0000 173.0245 44 T 4.2444 8.6544 108.8944 61.8748 69.6528 175.7351 45 G 4.4487 8.6322 108.6358 45.8250 0.0000 172.8721 46 R 4.1554 8.1338 118.1587 56.1808 31.3945 174.9844 47 V 4.7224 8.2300 124.2299 61.4044 33.4481 175.2783 48 L 4.6156 9.0075 127.8393 53.2325 43.6217 177.6043 49 E 4.0061 8.8318 119.2846 58.9496 29.4434 177.8698 50 N 4.6096 8.1222 114.4378 52.6140 37.8416 175.1120 51 G 4.0643 8.1586 108.3441 45.6335 0.0000 174.5087 52 Q 4.1363 7.9376 117.9112 56.2254 30.1575 176.0565 53 R 4.8746 8.3266 122.1177 54.4579 31.9968 175.3836 54 V 3.8598 8.7175 128.6583 62.1085 32.4515 173.7622 55 P 4.7870 0.0000 0.0000 61.9422 32.0587 176.5568 56 L 4.1997 8.4780 122.7048 55.4001 42.1085 176.5728 57 E 4.5009 9.6770 122.5786 56.0167 29.5043 176.2451 58 V 4.5330 7.4419 109.1244 59.1982 35.1690 174.5445 59 K 4.6586 8.3370 120.7299 54.3164 35.4234 175.1981 60 E 4.1149 8.3917 118.7011 58.0257 29.9928 176.2102 61 G 4.3648 9.9486 116.3880 46.0730 0.0000 173.8976 62 D 4.4245 7.3088 119.0840 54.0592 42.4201 176.1039 63 I 4.8171 8.4342 122.6833 60.1153 39.0935 175.2299 64 V 4.8924 8.6977 120.4528 59.6284 35.2272 174.8129 65 V 4.9882 8.5744 122.6051 61.3391 33.7524 174.5915 66 F 5.5076 8.7531 121.7967 54.4097 42.2343 173.8047 67 A 4.3400 8.3683 119.9472 51.7114 19.0719 177.5983 68 K 3.8549 8.5596 123.0803 57.7302 32.7577 176.1950 69 Y 3.8778 8.3528 119.8237 58.6836 35.8581 170.3544 70 G 3.9307 8.1243 108.8486 45.4845 0.0000 174.9466 71 G 3.8882 8.6009 109.0247 44.9786 0.0000 172.5400 72 T 4.6684 8.1797 114.6225 61.4396 71.0126 174.2594 73 E 4.5775 8.8530 126.3175 56.3756 30.6523 176.3489 74 I 4.5143 8.7928 124.0704 59.5897 41.4305 173.0409 75 E 4.9182 8.9017 130.8626 55.0250 30.9518 175.5519 76 I 4.3886 9.0058 128.1624 60.8678 40.7559 174.8965 77 D 4.2823 9.4388 127.5282 55.4216 37.5836 176.6117 78 G 3.9864 8.1419 105.6308 46.1613 0.0000 173.5872 79 E 4.0915 7.9679 120.4492 55.5682 30.3028 174.9212 80 E 4.8708 8.1318 122.8208 55.0636 31.6032 174.6697 81 Y 5.0532 8.8420 120.5635 56.2971 43.4098 174.2173 82 V 4.8538 8.7586 119.0690 61.5848 34.9647 174.1372 83 I 4.6883 8.6913 129.2964 60.6551 38.6030 175.0321 84 L 5.0422 8.8058 125.6662 52.9976 46.4852 175.3256 85 S 4.8973 8.3649 115.1548 56.9215 63.9440 174.3734 86 E 3.8958 9.1822 127.7885 59.4626 29.4073 179.3071 87 R 4.0132 7.9626 112.8172 58.2514 29.6912 176.5970 88 D 4.6096 8.6531 118.4974 54.4584 41.4208 175.7820 89 L 4.4570 7.7966 120.8687 53.8304 41.8158 176.6401 90 L 4.2956 8.8094 124.7107 57.4274 42.1526 177.0717 91 A 4.5850 7.7487 117.6465 51.2173 23.0247 174.3533 92 V 4.7037 8.2679 118.6966 61.2726 33.6406 174.7999 93 L 4.6762 9.0834 128.8734 53.3215 42.5478 176.8213 94 Q 4.0674 8.3841 121.4289 56.3495 28.7400 174.7426 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 M 8.30 4.36 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 2 I 7.95 4.04 1.68 0.00 0.00 0.63 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 0.71 0.81 0.00 0.00 3 K 9.12 4.34 0.00 1.65 1.68 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.39 7.81 4 P 0.00 4.43 0.00 2.30 1.90 0.00 3.59 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 5 L 8.29 4.71 0.00 1.68 1.55 0.91 1.19 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 6 G 8.05 3.82 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 0.00 7 D 8.43 4.94 0.00 2.87 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 8 R 7.60 5.34 0.00 1.94 1.74 0.00 3.12 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 9 V 8.86 4.84 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 0.65 0.00 0.00 0.85 0.00 0.00 10 V 9.08 4.68 1.93 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 0.82 0.00 0.00 0.83 0.00 0.00 11 V 8.58 4.99 2.17 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 0.54 0.00 0.00 0.71 0.00 0.00 12 K 8.91 4.73 0.00 2.09 1.78 0.00 1.49 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.44 7.81 13 R 8.81 4.49 0.00 1.99 1.89 0.00 3.28 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 14 I 8.26 4.22 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.00 0.92 0.00 0.00 *34 P 0.00 4.26 0.00 1.84 1.91 0.00 3.51 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.05 0.00 35 Q 8.44 4.38 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.76 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 36 K 8.24 5.05 0.00 1.64 1.67 0.00 1.63 0.00 0.00 1.80 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.31 7.81 37 G 9.09 4.67 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 0.00 0.00 0.00 38 K 9.11 5.02 0.00 1.84 1.74 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.57 7.81 39 V 9.13 4.20 2.21 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 0.88 0.00 0.00 0.99 0.00 0.00 40 I 8.74 4.03 1.84 0.00 0.00 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 1.24 0.63 1.05 0.00 0.00 41 A 7.56 4.84 1.12 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 0.00 0.00 42 V 8.25 4.55 2.06 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 0.78 0.00 0.00 0.91 0.00 0.00 43 G 9.26 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 0.00 0.00 0.00 0.00 44 T 8.65 4.24 4.23 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 1.20 0.00 0.00 45 G 8.63 4.45 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 0.00 46 R 8.13 4.16 0.00 1.91 1.80 0.00 3.15 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 47 V 8.23 4.72 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 0.86 0.00 0.00 0.93 0.00 0.00 48 L 9.01 4.62 0.00 1.81 1.57 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.83 4.01 0.00 1.95 2.02 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 2.31 2.24 0.00 50 N 8.12 4.61 0.00 2.82 2.91 0.00 0.00 6.28 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 51 G 8.16 4.06 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 0.00 0.00 0.00 52 Q 7.94 4.14 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 53 R 8.33 4.87 0.00 1.78 1.81 0.00 3.23 0.00 0.00 3.28 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 54 V 8.72 3.86 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 0.88 0.00 0.00 0.93 0.00 0.00 55 P 0.00 4.79 0.00 1.97 1.96 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 56 L 8.48 4.20 0.00 1.62 1.60 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 57 E 9.68 4.50 0.00 1.96 1.93 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 2.27 2.27 0.00 58 V 7.44 4.53 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 0.84 0.00 0.00 0.93 0.00 0.00 59 K 8.34 4.66 0.00 1.89 1.89 0.00 1.51 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.55 7.81 60 E 8.39 4.11 0.00 1.97 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 2.29 2.30 0.00 61 G 9.95 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 0.00 0.00 0.00 0.00 62 D 7.31 4.42 0.00 2.79 2.66 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 63 I 8.43 4.82 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.03 0.98 0.00 0.00 64 V 8.70 4.89 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 0.70 0.00 0.00 1.12 0.00 0.00 65 V 8.57 4.99 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 0.96 0.00 0.00 0.92 0.00 0.00 66 F 8.75 5.51 0.00 3.20 3.07 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 67 A 8.37 4.34 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 68 K 8.56 3.85 0.00 1.45 1.38 0.00 1.59 0.00 0.00 0.87 0.00 0.00 2.71 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.30 0.99 7.81 69 Y 8.35 3.88 0.00 3.21 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 70 G 8.12 3.93 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 0.00 0.00 0.00 71 G 8.60 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 72 T 8.18 4.67 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 73 E 8.85 4.58 0.00 1.88 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 2.37 2.30 0.00 74 I 8.79 4.51 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.61 1.04 0.00 0.00 75 E 8.90 4.92 0.00 2.01 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 0.00 2.23 2.43 0.00 76 I 9.01 4.39 2.12 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.80 0.99 0.00 0.00 77 D 9.44 4.28 0.00 2.93 2.76 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 0.00 0.00 0.00 0.00 78 G 8.14 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 79 E 7.97 4.09 0.00 2.13 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 2.50 2.46 0.00 80 E 8.13 4.87 0.00 1.70 1.78 0.00 0.00 0.00 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 2.30 0.00 81 Y 8.84 5.05 0.00 2.93 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 82 V 8.76 4.85 1.93 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 0.86 0.00 0.00 1.00 0.00 0.00 83 I 8.69 4.69 1.85 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 1.19 0.48 0.88 0.00 0.00 84 L 8.81 5.04 0.00 1.35 1.36 -0.07 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.36 4.90 0.00 3.89 3.70 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 0.00 0.00 0.00 0.00 86 E 9.18 3.90 0.00 2.02 2.26 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 2.32 2.28 0.00 87 R 7.96 4.01 0.00 1.97 2.06 0.00 3.08 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 88 D 8.65 4.61 0.00 2.95 2.79 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 89 L 7.80 4.46 0.00 1.77 1.67 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.81 4.30 0.00 1.74 1.73 0.96 0.53 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 91 A 7.75 4.58 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 92 V 8.27 4.70 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 0.92 0.00 0.00 0.95 0.00 0.00 93 L 9.08 4.68 0.00 1.52 1.61 0.91 0.83 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 94 Q 8.38 4.07 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.65 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.