NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8248 8.5298 119.7451 55.5980 33.5083 175.2495 2 N 4.7189 8.1429 123.0949 50.1451 41.1313 174.1075 3 K 3.8716 8.5789 120.1400 59.5625 32.5393 179.5443 4 K 3.8970 8.0406 119.4134 59.5429 32.3128 178.2847 5 E 3.9450 8.5131 119.6558 58.9322 29.4463 178.4144 6 L 3.9437 8.0864 120.5674 58.2115 42.0805 179.0241 7 I 3.6720 7.8887 119.6865 64.6090 37.0579 178.1897 8 D 4.3421 8.1972 119.6155 57.3713 40.6066 179.1808 9 R 3.8993 8.1556 118.6297 59.2418 30.0227 179.3041 10 V 3.5685 8.0778 118.0716 65.8852 31.5359 177.8604 11 A 3.9585 8.2494 120.8092 54.9583 18.0424 179.6251 12 K 3.8847 8.0601 118.1089 59.6242 32.1251 179.3215 13 K 3.9643 7.8695 117.3110 59.2348 32.1235 178.6171 14 A 4.3129 8.2579 118.6545 51.5925 18.9994 177.2057 15 G 3.7604 7.7647 104.7998 46.7155 0.0000 173.6158 16 A 4.8058 7.6568 120.6003 49.3274 22.0568 178.0431 17 K 4.1849 8.2489 119.2652 56.0465 33.9175 178.7641 18 K 3.9500 8.7335 123.0475 59.5692 32.0253 179.7053 19 K 3.9838 8.0120 118.5445 60.0095 32.4399 178.9241 20 D 4.3290 7.9802 119.7117 57.0470 40.8922 178.6445 21 V 3.5457 7.7316 118.7585 65.8491 31.4867 178.0308 22 K 3.9882 8.3904 119.8141 59.2559 31.9680 178.5687 23 L 3.9286 7.9071 120.7050 58.2842 42.0187 179.1254 24 I 3.7244 7.9682 119.9357 64.0391 36.9721 178.1438 25 L 3.8988 8.4258 121.5871 58.3738 41.8730 178.8366 26 D 4.3200 8.4489 119.1830 57.6940 40.6240 178.9884 27 T 3.8697 8.1415 116.3982 66.3913 68.3789 176.9182 28 I 3.6401 8.1309 122.2548 64.4650 37.1728 178.4843 29 L 3.8776 8.0227 119.8723 57.6643 41.2980 179.2700 30 E 3.9080 8.4426 119.5938 59.4771 29.5963 179.0486 31 T 3.8452 8.1221 116.0351 66.6322 68.4930 176.7944 32 I 3.6520 7.7905 121.7324 64.6332 37.0959 178.6376 33 T 3.8270 7.9224 116.5307 66.6748 68.1305 176.6000 34 E 3.9525 8.5282 120.6054 59.2113 29.4125 179.2307 35 A 4.0245 8.0531 120.7616 55.3309 18.5214 179.7597 36 L 3.9571 8.1505 117.2555 57.8348 41.4206 179.6425 37 A 4.0896 8.0346 119.9639 54.3365 18.3592 178.7620 38 K 4.3664 7.5441 114.9240 55.9201 32.4315 177.5976 39 G 3.8773 7.8860 107.4318 45.7239 0.0000 173.5499 40 E 4.3573 8.1023 120.2266 55.4043 30.6503 175.6773 41 K 4.6901 8.4820 124.3776 55.1017 34.4554 176.0362 42 V 4.3438 9.0502 126.1181 61.4103 33.7173 173.8498 43 Q 4.8917 8.7863 129.8781 54.5302 30.6622 174.6558 44 I 4.6025 8.9300 129.1201 59.0921 39.3255 175.8622 45 V 3.7673 8.5372 127.1819 63.4770 31.3130 176.7415 46 G 3.9934 9.2830 111.0001 45.6657 0.0000 172.6163 47 F 4.7467 8.4977 120.1144 57.3103 41.6973 175.8672 48 G 3.8227 7.3276 103.3098 46.1007 0.0000 169.7892 49 S 5.4275 7.5976 113.9353 56.4469 66.2998 173.0947 50 F 5.4399 9.5217 121.5057 56.0627 41.2903 174.7142 51 E 5.0409 9.5424 120.5853 55.4590 33.5881 173.9517 52 V 5.1281 8.0717 118.2004 60.1156 34.4818 174.7653 *76 V 3.9516 7.8561 114.9320 60.1654 32.5299 173.6206 77 P 4.7755 0.0000 0.0000 62.7407 32.1343 175.5138 78 K 4.7969 9.4972 122.2906 54.6352 36.2142 174.2663 79 F 5.0872 8.8384 126.9445 56.1489 41.9393 174.0278 80 K 4.1721 8.0211 128.3015 53.4705 33.5725 173.4209 81 P 3.9452 0.0000 0.0000 62.6479 32.0854 176.5626 82 G 3.7616 8.5967 110.0532 45.5758 0.0000 174.8890 83 K 3.9461 8.8049 119.2577 59.4521 32.0289 179.3368 84 A 3.9740 7.9707 120.2500 55.1501 18.3870 179.2846 85 L 3.8785 7.7907 118.1507 58.2529 42.1858 179.0099 86 K 3.9173 8.0334 118.4014 59.6757 31.7602 179.1759 87 E 3.9935 8.2513 117.9352 59.3746 29.4494 179.3440 88 K 4.1579 8.0362 117.6122 58.5450 32.2046 178.7810 89 V 4.2444 7.3342 109.8222 60.9367 32.3756 176.5460 90 K 4.2436 7.7255 123.7428 57.3519 32.4798 176.3632 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 8.53 4.82 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 2 N 8.14 4.72 0.00 3.09 2.94 0.00 0.00 5.86 6.37 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 3 K 8.58 3.87 0.00 1.83 1.84 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.48 7.81 4 K 8.04 3.90 0.00 1.85 1.93 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.49 7.81 5 E 8.51 3.94 0.00 2.09 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 2.30 2.31 0.00 6 L 8.09 3.94 0.00 1.79 1.84 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.89 3.67 2.02 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 1.50 0.56 0.90 0.00 0.00 8 D 8.20 4.34 0.00 2.85 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 9 R 8.16 3.90 0.00 1.98 1.97 0.00 3.13 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 10 V 8.08 3.57 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 1.08 0.00 0.00 0.98 0.00 0.00 11 A 8.25 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.06 3.88 0.00 1.85 1.93 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.47 7.81 13 K 7.87 3.96 0.00 1.78 1.85 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.65 7.81 14 A 8.26 4.31 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 15 G 7.76 3.76 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 0.00 0.00 0.00 16 A 7.66 4.81 1.22 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 0.00 0.00 17 K 8.25 4.18 0.00 1.98 1.73 0.00 1.82 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.52 7.81 18 K 8.73 3.95 0.00 1.79 1.86 0.00 1.66 0.00 0.00 1.98 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.50 7.81 19 K 8.01 3.98 0.00 1.97 2.06 0.00 1.49 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.52 7.81 20 D 7.98 4.33 0.00 2.84 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 21 V 7.73 3.55 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 0.82 0.00 0.00 0.96 0.00 0.00 22 K 8.39 3.99 0.00 1.83 1.90 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.55 1.43 7.81 23 L 7.91 3.93 0.00 1.80 1.79 0.91 1.10 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 24 I 7.97 3.72 1.95 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 1.39 0.43 0.88 0.00 0.00 25 L 8.43 3.90 0.00 1.70 1.84 0.87 1.23 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 26 D 8.45 4.32 0.00 2.88 2.68 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 27 T 8.14 3.87 4.34 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 1.19 0.00 0.00 28 I 8.13 3.64 1.97 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.72 0.83 0.00 0.00 29 L 8.02 3.88 0.00 1.75 1.64 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.44 3.91 0.00 2.09 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 2.41 2.32 0.00 31 T 8.12 3.85 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 1.19 0.00 0.00 32 I 7.79 3.65 1.64 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.62 0.45 0.00 0.00 33 T 7.92 3.83 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 1.19 0.00 0.00 34 E 8.53 3.95 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 2.32 2.44 0.00 35 A 8.05 4.02 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 36 L 8.15 3.96 0.00 1.86 1.77 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.03 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.54 4.37 0.00 1.87 1.86 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.62 7.81 39 G 7.89 3.88 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 0.00 0.00 0.00 40 E 8.10 4.36 0.00 2.01 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 2.34 2.27 0.00 41 K 8.48 4.69 0.00 1.83 1.71 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.46 7.81 42 V 9.05 4.34 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 0.88 0.00 0.00 0.98 0.00 0.00 43 Q 8.79 4.89 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.61 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 44 I 8.93 4.60 2.18 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.81 1.01 0.00 0.00 45 V 8.54 3.77 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 0.74 0.00 0.00 0.96 0.00 0.00 46 G 9.28 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 47 F 8.50 4.75 0.00 3.16 3.17 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 48 G 7.33 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 49 S 7.60 5.43 0.00 3.83 3.88 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 50 F 9.52 5.44 0.00 3.12 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 51 E 9.54 5.04 0.00 1.99 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 2.20 2.28 0.00 52 V 8.07 5.13 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 1.24 0.00 0.00 1.04 0.00 0.00 *76 V 7.86 3.95 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 1.00 0.00 0.00 0.95 0.00 0.00 77 P 0.00 4.78 0.00 2.29 2.12 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 78 K 9.50 4.80 0.00 1.79 1.65 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.73 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.37 7.81 79 F 8.84 5.09 0.00 2.77 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 80 K 8.02 4.17 0.00 1.60 1.33 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.08 1.15 7.81 81 P 0.00 3.95 0.00 1.94 1.93 0.00 3.54 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.86 0.00 82 G 8.60 3.76 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 0.00 0.00 0.00 83 K 8.80 3.95 0.00 1.78 1.86 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.48 7.81 84 A 7.97 3.97 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 85 L 7.79 3.88 0.00 1.68 1.70 0.93 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.03 3.92 0.00 2.00 1.82 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.41 7.81 87 E 8.25 3.99 0.00 2.03 2.01 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 2.33 2.61 0.00 88 K 8.04 4.16 0.00 1.98 1.90 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.49 1.59 7.81 89 V 7.33 4.24 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 0.80 0.00 0.00 0.99 0.00 0.00 90 K 7.73 4.24 0.00 1.87 1.93 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.67 1.46 7.81 * Residues marked with a * may have inaccurate shift predictions.