NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.2826 8.2644 123.5828 51.1525 20.6916 176.4936 10 L 3.9028 7.6544 119.6905 55.4998 43.6011 174.7148 11 Q 4.5245 9.5120 127.1608 55.4716 32.1404 172.8703 12 C 4.8929 9.0690 125.1762 55.3825 43.1418 172.5132 13 F 4.9690 8.6428 122.1235 57.9459 39.8715 174.1333 14 C 5.2660 7.8799 124.6763 54.6901 43.8903 173.4762 15 H 4.1628 9.1280 123.4159 58.7907 28.8431 177.6061 16 L 4.1923 7.8520 117.3070 57.0347 42.4084 178.6527 17 C 4.6154 7.8455 119.3323 55.3852 34.6976 173.4945 18 T 3.0971 7.3513 109.8908 65.2624 68.5051 176.1264 19 K 4.3473 7.9913 120.5037 56.0082 32.6850 176.7785 20 D 4.7315 7.9180 116.6552 54.2240 41.7991 177.4525 21 N 4.1757 8.7297 113.8806 53.0749 37.0625 175.1321 22 F 4.6258 7.9865 114.9743 57.9043 36.4060 173.9546 23 T 5.1494 7.8535 109.8009 60.1940 72.0524 170.4906 24 C 4.9636 8.9702 115.3141 54.1022 45.6640 173.2122 25 V 4.6772 8.3526 114.2554 60.3566 32.4132 175.1302 26 T 4.7489 8.3183 119.9679 60.3458 69.9791 173.5054 27 D 4.8335 8.8403 122.1577 52.9759 41.6748 176.6553 28 G 3.7449 8.1196 107.0664 46.5308 0.0000 175.0096 29 L 4.9172 5.6200 120.8656 53.6779 48.1594 175.1863 30 C 5.1265 8.8961 117.0853 55.8783 43.1738 173.1120 31 F 5.0437 8.9060 122.8845 56.5927 42.8342 173.9845 32 V 4.7938 7.1164 118.3668 59.5097 35.8816 174.4040 33 S 4.9096 8.6218 119.4680 56.3496 66.2842 172.9270 34 V 4.6469 8.3960 123.4320 61.2680 33.5422 174.0094 35 T 5.1044 8.6164 122.6797 60.0971 69.8712 172.9086 36 E 4.1803 8.5194 128.8832 56.4446 30.1202 176.2626 37 T 4.7560 8.1311 125.8681 63.8134 70.5396 175.8613 38 T 4.3747 8.0267 119.1355 63.8863 69.9190 174.4619 *41 V 3.8661 7.6517 120.1292 63.0397 31.8367 172.7883 42 I 4.3151 8.1061 123.8030 60.4572 38.7546 175.1642 43 H 5.6335 8.8947 123.0474 54.4087 30.8998 172.4666 44 N 4.8447 8.8920 121.0828 50.8810 40.3765 173.6911 45 S 5.4819 8.4983 113.5922 57.2951 67.1586 172.3101 46 M 4.9943 9.0143 117.5204 55.0165 35.1177 172.1878 47 C 5.5128 8.7114 116.4436 55.0540 36.9719 173.7336 48 I 4.4832 8.2311 116.4687 58.6338 39.4722 175.2860 49 A 4.3751 8.6059 130.1189 51.8458 19.1604 177.5883 50 E 3.9055 10.1678 122.5481 59.1736 29.8624 179.2534 51 I 3.7340 7.8047 117.5794 63.3908 38.0140 175.6980 52 D 4.7291 7.8543 117.9303 53.8584 40.8692 175.9248 53 L 4.2307 8.2239 121.1050 54.1455 42.2381 176.9357 54 I 4.5148 7.9998 125.1154 59.0854 40.4113 173.3889 55 P 4.9056 0.0000 0.0000 61.2460 33.0291 177.5635 56 R 3.9532 8.8443 120.8895 59.8233 30.1667 178.1741 57 D 4.5300 8.1346 115.5564 57.2352 40.9300 177.1490 58 R 4.6075 7.5100 118.9196 53.7653 31.0956 170.8487 59 P 4.5003 0.0000 0.0000 61.9767 32.0182 178.4770 60 F 4.3816 8.7171 118.1857 59.2110 38.0929 177.6803 61 V 3.3620 6.8266 120.3097 65.1892 31.3498 176.8999 62 C 4.7650 7.9163 114.7603 56.9455 40.7531 174.2589 63 A 4.5498 7.2893 124.4432 48.7526 17.4125 174.4049 64 P 4.4149 0.0000 0.0000 63.1179 32.0998 177.6902 65 S 4.7935 8.1845 114.3501 57.2176 65.4791 173.8067 66 S 4.2782 8.2746 115.8735 59.0872 63.7852 174.4385 *71 V 3.9953 7.8196 120.6890 63.2817 31.1248 173.4248 72 T 5.2669 7.8282 116.9631 60.2907 71.9734 173.8316 73 T 4.6591 8.8156 115.0688 60.5582 70.3427 172.6753 74 T 5.4082 8.3655 118.1377 60.1851 71.4956 173.2875 75 Y 4.8038 7.3355 117.8918 56.6663 40.8078 173.6517 76 C 5.4715 9.2013 117.9736 55.1127 43.8661 171.8966 77 C 5.1756 8.4280 113.8494 54.0424 44.8572 173.6393 78 N 5.0811 8.7188 116.6948 52.7321 37.5799 174.1068 79 Q 4.6479 7.7652 116.6720 54.4712 32.0272 174.6182 80 D 4.4223 8.9389 120.4743 56.7597 41.5163 176.8362 81 H 4.1138 8.3906 121.2030 57.1602 26.8411 172.7661 82 C 4.7003 7.8217 110.2402 55.5298 42.7626 174.4642 83 N 4.3493 7.9328 118.7604 54.6773 37.0592 174.8925 84 K 4.1067 7.8736 123.0537 56.9689 33.2919 173.7277 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 9 A 8.26 4.28 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 10 L 7.65 3.90 0.00 1.87 1.77 0.93 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 9.51 4.52 0.00 2.02 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.42 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 12 C 9.07 4.89 0.00 2.93 3.31 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 13 F 8.64 4.97 0.00 3.13 2.93 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 14 C 7.88 5.27 0.00 2.87 2.75 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 0.00 0.00 0.00 0.00 15 H 9.13 4.16 0.00 3.31 3.35 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.85 4.19 0.00 1.66 1.76 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 17 C 7.85 4.62 0.00 2.98 2.99 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 18 T 7.35 3.10 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 1.24 0.00 0.00 19 K 7.99 4.35 0.00 1.66 1.78 0.00 1.42 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.43 7.81 20 D 7.92 4.73 0.00 2.69 2.52 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 0.00 21 N 8.73 4.18 0.00 2.87 2.97 0.00 0.00 7.22 7.45 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 22 F 7.99 4.63 0.00 3.17 2.56 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 0.00 0.00 0.00 0.00 23 T 7.85 5.15 4.41 0.00 0.00 0.00 0.00 0.00 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 24 C 8.97 4.96 0.00 2.95 3.13 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 0.00 0.00 0.00 0.00 25 V 8.35 4.68 2.07 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 0.70 0.00 0.00 0.92 0.00 0.00 26 T 8.32 4.75 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 1.26 0.00 0.00 27 D 8.84 4.83 0.00 2.80 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 28 G 8.12 3.74 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 0.00 0.00 0.00 29 L 5.62 4.92 0.00 1.60 1.55 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.90 5.13 0.00 2.97 3.16 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 0.00 0.00 0.00 0.00 31 F 8.91 5.04 0.00 3.06 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 32 V 7.12 4.79 1.77 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 0.56 0.00 0.00 0.14 0.00 0.00 33 S 8.62 4.91 0.00 3.94 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 34 V 8.40 4.65 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 0.87 0.00 0.00 0.88 0.00 0.00 35 T 8.62 5.10 4.27 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 1.28 0.00 0.00 36 E 8.52 4.18 0.00 2.01 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 2.31 2.34 0.00 37 T 8.13 4.76 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 38 T 8.03 4.37 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 1.21 0.00 0.00 *41 V 7.65 3.87 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 0.75 0.00 0.00 0.93 0.00 0.00 42 I 8.11 4.32 1.89 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 1.30 0.45 0.91 0.00 0.00 43 H 8.89 5.63 0.00 3.20 3.20 0.00 5.10 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.89 4.84 0.00 2.65 2.88 0.00 0.00 5.71 7.21 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 45 S 8.50 5.48 0.00 4.18 4.04 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 46 M 9.01 4.99 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.72 0.00 47 C 8.71 5.51 0.00 2.85 3.02 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 48 I 8.23 4.48 1.77 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 1.26 0.74 0.74 0.00 0.00 49 A 8.61 4.38 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 50 E 10.17 3.91 0.00 1.97 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 2.30 2.24 0.00 51 I 7.80 3.73 1.86 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 1.41 1.19 0.90 0.00 0.00 52 D 7.85 4.73 0.00 2.76 2.56 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 0.00 0.00 0.00 0.00 53 L 8.22 4.23 0.00 1.55 1.60 0.91 0.83 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 54 I 8.00 4.51 2.09 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 1.50 1.57 1.03 0.00 0.00 55 P 0.00 4.91 0.00 2.10 1.99 0.00 3.93 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 56 R 8.84 3.95 0.00 1.78 2.02 0.00 3.49 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 57 D 8.13 4.53 0.00 2.68 2.75 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 0.00 0.00 0.00 0.00 58 R 7.51 4.61 0.00 1.71 1.81 0.00 3.30 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 59 P 0.00 4.50 0.00 2.13 2.10 0.00 3.76 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 60 F 8.72 4.38 0.00 3.32 3.38 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 0.00 0.00 0.00 0.00 61 V 6.83 3.36 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 0.42 0.00 0.00 -0.02 0.00 0.00 62 C 7.92 4.77 0.00 3.17 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 63 A 7.29 4.55 1.30 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 64 P 0.00 4.41 0.00 2.25 2.19 0.00 3.85 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.23 0.00 65 S 8.18 4.79 0.00 4.03 4.01 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 0.00 0.00 0.00 0.00 66 S 8.27 4.28 0.00 3.90 3.86 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 *71 V 7.82 4.00 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 0.94 0.00 0.00 0.94 0.00 0.00 72 T 7.83 5.27 4.28 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 1.28 0.00 0.00 73 T 8.82 4.66 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 1.22 0.00 0.00 74 T 8.37 5.41 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 1.34 0.00 0.00 75 Y 7.34 4.80 0.00 2.99 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 76 C 9.20 5.47 0.00 2.93 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 77 C 8.43 5.18 0.00 3.04 3.35 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 0.00 78 N 8.72 5.08 0.00 2.83 2.92 0.00 0.00 5.86 7.39 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 79 Q 7.77 4.65 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.37 6.96 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 80 D 8.94 4.42 0.00 2.69 2.77 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 81 H 8.39 4.11 0.00 3.28 3.40 0.00 5.84 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 82 C 7.82 4.70 0.00 3.11 3.32 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 83 N 7.93 4.35 0.00 2.82 2.88 0.00 0.00 7.18 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 84 K 7.87 4.11 0.00 1.80 1.63 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.42 7.81 * Residues marked with a * may have inaccurate shift predictions.