NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4233 8.3344 116.7997 58.4936 65.3554 173.4589 3 E 3.7601 7.7110 120.4807 55.1418 30.2189 174.8473 4 L 2.8707 9.0040 127.0391 56.1142 42.7628 176.4489 5 F 3.0120 5.4600 121.1263 58.4405 36.3688 175.7902 6 S 4.6226 7.0159 116.3472 56.6234 66.1295 174.2380 7 V 3.7903 8.1337 120.3374 65.9678 31.1076 175.9977 8 P 4.4996 0.0000 0.0000 65.7947 30.9816 177.6672 9 Y 3.9024 7.6019 118.5442 60.8259 38.6783 178.1273 10 F 4.5505 8.5679 118.7081 60.3118 39.0201 177.9734 11 I 3.7758 8.4700 120.3129 64.2147 36.9331 177.9106 12 E 3.8601 8.2922 120.1874 59.4724 29.4043 178.6614 13 N 4.1548 7.8859 116.3989 56.1708 38.5434 177.4344 14 L 3.6194 8.0964 120.6657 57.6018 41.6911 179.7669 15 K 3.9352 8.0454 118.3807 59.5943 31.7648 179.5368 16 Q 3.9602 7.8510 117.2882 59.0549 28.6652 177.8164 17 H 4.2020 8.1378 118.8692 59.1973 29.9045 177.1284 18 I 3.9055 7.4585 120.8036 64.1169 37.0998 179.3900 19 E 4.1934 7.7917 118.6561 55.7224 31.0849 177.5493 *21 N 4.5287 7.9739 113.9556 53.7162 39.2015 175.3699 22 Q 4.3833 7.9462 114.7584 57.1000 29.4581 177.1748 23 S 4.8323 7.4344 113.2898 57.5636 63.6079 173.4323 24 E 4.7418 7.7770 118.3796 53.5393 32.7083 174.6363 25 D 4.5531 8.5724 123.4805 53.7436 42.5502 177.4388 26 K 3.8400 8.6768 124.0208 59.9677 32.2517 178.9663 27 I 3.7755 7.6115 116.4790 64.5038 38.2318 177.1689 28 H 4.5560 8.1335 116.3912 58.4453 28.5470 177.6191 29 A 4.0767 8.2623 121.0945 52.7908 18.0696 178.9172 *31 N 4.7548 8.1805 120.6173 55.1751 41.0804 177.4411 32 S 4.1593 8.3488 114.2937 61.8496 62.9538 176.0004 33 Y 3.9783 8.1166 122.2463 60.7090 38.4889 177.4964 34 Y 3.8664 8.1785 119.9644 60.6268 39.0134 177.7843 35 R 3.9715 8.3389 119.7045 59.7537 30.1356 178.6420 36 S 4.0689 8.0304 114.8875 61.4546 62.7196 177.0114 37 V 3.3808 7.4989 120.9313 65.7815 31.1759 178.2408 38 V 3.3405 7.4758 117.9678 65.9704 31.1149 177.7142 39 S 4.0349 7.8219 111.5736 61.8274 62.2889 176.1296 40 T 3.9915 7.6314 117.9360 66.6065 68.1180 176.7912 41 L 3.9069 7.9452 121.2179 57.6915 41.4462 179.8107 42 V 3.7587 7.9174 117.6518 63.7488 31.6266 177.3712 43 Q 4.4621 7.2902 117.0901 54.9405 28.9662 174.9404 44 D 4.4213 7.3341 121.0371 54.2747 41.0588 175.4406 45 Q 4.5502 8.6246 124.7479 55.6686 29.1161 176.0939 46 L 4.5461 8.2913 119.9219 55.9420 43.7083 177.5724 47 T 4.2473 7.7452 113.4591 62.5017 69.4602 175.1319 48 K 4.1316 8.3209 123.7411 56.2175 33.9123 177.9029 49 N 4.2037 8.8855 120.8265 56.7899 38.6354 177.4649 50 A 3.9729 7.9462 121.2659 55.0181 18.4714 179.8089 51 V 3.4729 7.5081 116.2670 66.1207 31.9188 178.1865 52 V 3.4857 7.9003 118.2638 65.9991 31.2873 177.7463 53 L 3.9092 8.2302 120.3891 57.9827 41.9208 178.8593 54 K 3.8831 7.9712 119.4605 59.4234 32.0477 179.1020 55 R 4.0305 8.0388 118.5443 59.2157 29.8731 179.0680 56 I 3.4930 7.6106 119.4386 64.3274 37.0451 178.4953 57 Q 3.9881 8.1275 119.0251 59.1215 28.4109 178.6261 58 H 4.3851 8.2656 117.3550 58.9051 28.7550 177.5692 59 L 3.6796 7.9265 122.2022 58.0057 41.7400 178.5005 60 D 4.5278 8.3070 118.3067 57.4310 41.2062 177.9025 61 E 4.0588 8.4547 119.7209 59.1284 29.5738 178.5873 62 A 4.1258 8.4683 121.1572 55.2815 18.4375 178.9678 63 Y 4.0371 8.5603 118.3432 61.0415 38.8409 178.0653 64 N 4.4926 8.5731 117.4410 56.2029 38.4976 177.6442 65 K 3.9586 8.2756 119.8501 59.5589 32.0171 179.5594 66 V 3.5511 7.7369 117.1907 65.8649 31.4640 177.5134 67 K 3.8794 7.7928 118.4265 59.5152 32.0319 178.6293 68 R 4.1438 7.6367 117.2756 59.0520 30.0967 177.4921 69 G 3.8498 7.6769 108.8140 44.9776 0.0000 173.1971 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 S 8.33 4.42 0.00 3.87 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 3 E 7.71 3.76 0.00 2.04 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 0.00 2.30 2.33 0.00 4 L 9.00 2.87 0.00 1.30 0.48 0.75 0.35 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 5 F 5.46 3.01 0.00 3.10 3.05 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 6 S 7.02 4.62 0.00 3.94 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 3.79 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 1.17 0.00 0.00 1.06 0.00 0.00 8 P 0.00 4.50 0.00 2.32 2.32 0.00 3.70 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 9 Y 7.60 3.90 0.00 3.09 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.57 4.55 0.00 3.36 3.21 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 11 I 8.47 3.78 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.21 0.92 0.00 0.00 12 E 8.29 3.86 0.00 2.02 1.95 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 2.19 2.28 0.00 13 N 7.89 4.15 0.00 2.74 2.60 0.00 0.00 7.10 6.85 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 14 L 8.10 3.62 0.00 1.91 1.69 1.14 1.07 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 15 K 8.05 3.94 0.00 1.93 1.81 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.57 7.81 16 Q 7.85 3.96 0.00 1.93 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.96 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 17 H 8.14 4.20 0.00 2.93 3.28 0.00 5.76 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.46 3.91 2.01 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 1.52 0.81 0.89 0.00 0.00 19 E 7.79 4.19 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 *21 N 7.97 4.53 0.00 2.79 2.80 0.00 0.00 7.02 7.74 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 22 Q 7.95 4.38 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.52 7.52 0.00 0.00 0.00 0.00 0.00 2.49 2.31 0.00 23 S 7.43 4.83 0.00 3.88 3.83 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 0.00 0.00 0.00 24 E 7.78 4.74 0.00 1.87 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 2.25 2.45 0.00 25 D 8.57 4.55 0.00 2.77 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.68 3.84 0.00 1.69 1.86 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.50 7.81 27 I 7.61 3.78 1.81 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.00 0.75 0.00 0.00 28 H 8.13 4.56 0.00 3.39 3.34 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.26 4.08 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.18 4.75 0.00 3.03 2.95 0.00 0.00 7.03 7.57 0.00 0.00 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 S 8.35 4.16 0.00 4.22 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 33 Y 8.12 3.98 0.00 2.72 3.01 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 34 Y 8.18 3.87 0.00 3.25 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 35 R 8.34 3.97 0.00 2.12 1.94 0.00 3.32 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 36 S 8.03 4.07 0.00 3.78 3.83 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 0.00 0.00 0.00 37 V 7.50 3.38 1.61 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 0.78 0.00 0.00 0.23 0.00 0.00 38 V 7.48 3.34 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 0.96 0.00 0.00 0.54 0.00 0.00 39 S 7.82 4.03 0.00 3.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.63 3.99 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 1.19 0.00 0.00 41 L 7.95 3.91 0.00 1.72 1.59 0.77 0.49 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 42 V 7.92 3.76 2.16 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 0.74 0.00 0.00 0.89 0.00 0.00 43 Q 7.29 4.46 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.96 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 44 D 7.33 4.42 0.00 2.55 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.62 4.55 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.64 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 46 L 8.29 4.55 0.00 1.69 1.66 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.75 4.25 4.19 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 0.00 0.00 0.00 1.15 0.00 0.00 48 K 8.32 4.13 0.00 1.74 1.71 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.46 7.81 49 N 8.89 4.20 0.00 2.70 2.86 0.00 0.00 6.99 7.91 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 50 A 7.95 3.97 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 51 V 7.51 3.47 2.18 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 0.99 0.00 0.00 0.92 0.00 0.00 52 V 7.90 3.49 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 0.93 0.00 0.00 0.91 0.00 0.00 53 L 8.23 3.91 0.00 1.78 1.63 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.97 3.88 0.00 2.06 1.88 0.00 1.54 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.27 7.81 55 R 8.04 4.03 0.00 2.01 2.03 0.00 2.93 0.00 0.00 2.69 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.85 0.00 56 I 7.61 3.49 1.93 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 1.33 0.74 0.77 0.00 0.00 57 Q 8.13 3.99 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 58 H 8.27 4.39 0.00 3.68 3.65 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.93 3.68 0.00 0.29 1.23 0.61 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.31 4.53 0.00 2.95 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.45 4.06 0.00 2.28 2.18 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 2.39 2.40 0.00 62 A 8.47 4.13 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.56 4.04 0.00 3.43 3.30 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 64 N 8.57 4.49 0.00 3.04 2.94 0.00 0.00 7.08 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.28 3.96 0.00 2.01 1.88 0.00 1.73 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.65 7.81 66 V 7.74 3.55 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 0.71 0.00 0.00 0.99 0.00 0.00 67 K 7.79 3.88 0.00 1.49 1.86 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.32 7.81 68 R 7.64 4.14 0.00 1.93 1.97 0.00 3.22 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 69 G 7.68 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 * Residues marked with a * may have inaccurate shift predictions.