NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 69 K 4.2711 8.4145 122.1404 53.1550 33.3672 179.2213 70 I 4.6198 7.9068 123.4417 61.0518 38.1336 171.7652 71 L 4.6725 8.2145 127.3203 53.5973 44.8521 171.1950 72 T 4.8997 7.9578 108.4457 62.2839 73.0422 168.8511 73 G 4.0187 8.0162 108.2025 49.1820 0.0000 172.1013 74 T 4.9116 8.0836 116.8193 59.9596 70.5744 172.5865 75 V 3.8566 8.4724 129.2312 62.3882 32.0497 174.4506 76 V 3.6346 8.9650 125.6293 62.2001 32.4967 173.7351 77 S 4.6720 7.7719 124.1600 56.6228 63.6739 177.3581 78 T 3.8450 8.6976 121.2192 63.4490 68.4438 172.7967 79 K 4.1192 8.1661 128.4587 55.8400 32.1025 180.1683 80 M 5.0846 8.9876 135.0000 59.4147 33.1255 174.1330 *81 H 3.7936 7.2942 118.7686 55.1997 27.1117 176.8137 82 R 3.8403 8.4910 128.0733 55.0667 25.8070 175.2247 83 T 4.8884 7.1375 119.9285 61.3875 70.7766 174.8404 84 I 4.1112 7.1973 127.8327 60.5982 36.5475 178.6159 85 V 3.9110 7.5755 118.7744 62.2466 32.7728 179.9052 86 I 3.1639 7.0086 114.8459 61.5607 33.2797 179.3785 87 R 4.8262 8.8937 131.0471 54.1646 29.6327 173.4646 88 R 4.6975 8.0177 121.2292 54.3015 31.2825 172.2471 89 A 4.8626 8.0842 121.8649 50.9530 18.7094 175.1000 *90 Y 4.1754 7.5851 125.4068 57.9557 38.5660 180.3785 91 L 4.3633 8.3081 120.8674 56.8426 42.9387 174.0278 *92 H 4.3696 8.5449 125.6750 54.7414 29.5338 171.7529 *93 Y 4.3695 8.8165 115.6323 54.3012 38.9180 181.0151 94 I 3.5283 7.8647 122.1077 58.6817 35.8574 172.7597 95 P 4.1065 0.0000 0.0000 65.8754 29.2742 173.7028 96 K 4.5292 8.4372 129.1195 56.0088 32.4465 180.8416 *97 Y 3.4168 9.1391 131.8459 57.2497 34.8303 168.4228 98 N 4.4041 9.6558 125.5236 54.1585 37.5582 179.0154 99 R 3.9079 7.9430 119.8420 61.0764 29.5667 182.6257 *100 Y 4.2268 7.8070 123.1972 57.3778 37.4684 178.9008 101 E 4.9125 8.1634 123.8253 55.0033 32.2107 174.1815 102 K 4.5076 7.9382 123.4732 54.9715 31.5982 179.2163 103 R 4.2600 7.8482 123.6077 58.4766 30.9484 179.6668 *104 H 4.4798 8.2979 112.3486 56.6474 31.2240 173.8343 105 K 4.6716 7.9803 128.5251 53.4627 34.1692 172.6950 106 N 5.2400 8.7875 123.6154 51.7755 40.1294 174.9599 107 V 4.6603 8.1421 122.1112 59.2261 36.1218 172.6966 108 P 4.9127 0.0000 0.0000 62.5072 32.0524 178.7411 109 V 4.4898 8.8771 125.9240 61.4666 32.6174 178.7021 *110 H 4.2818 8.8223 121.2169 56.9578 30.7512 172.1407 111 V 3.4696 7.4224 116.6784 59.9222 31.8680 170.6532 112 S 6.0443 7.0901 135.0000 59.3366 62.6326 175.9958 113 P 5.0448 0.0000 0.0000 62.1418 34.3552 176.4189 114 A 4.6248 8.0899 121.1994 55.5748 20.2047 174.8533 *115 F 3.5723 9.8176 118.7289 58.1613 34.7002 171.4352 116 R 4.4027 7.3937 125.6185 56.4317 33.6697 171.5619 117 V 4.5406 8.3525 113.3741 61.9544 35.5878 169.8235 118 Q 4.7219 8.3033 117.3128 54.8532 30.8284 171.7560 119 V 3.7591 8.1220 111.7268 63.5298 32.4315 174.4498 120 G 3.7719 8.4494 111.4983 47.0038 0.0000 170.6767 121 D 4.3293 8.7190 125.3328 53.0646 39.7652 169.0307 122 I 5.6137 8.0912 122.3785 58.3408 38.7812 175.4689 123 V 4.4932 8.4814 128.4416 59.7532 34.0340 172.6121 124 T 4.1701 9.1084 117.4715 62.6216 67.7750 173.7691 125 V 3.4787 8.0981 124.6364 60.1652 31.8256 174.7036 126 G 3.8616 9.8468 113.5870 46.6454 0.0000 175.8645 127 Q 3.2864 7.9272 123.9542 56.2715 24.0835 173.2065 128 C 4.4958 8.0808 124.8602 57.3389 29.1363 173.9891 129 R 4.2728 8.7869 118.3787 57.8746 29.9067 174.5779 130 P 4.1303 0.0000 0.0000 63.0315 28.8663 175.4753 131 I 3.9237 7.8586 123.1701 62.3871 36.4532 178.5779 132 S 4.6096 8.4049 114.0874 59.5436 65.4385 183.4429 133 K 4.9389 8.2474 128.4187 56.6372 28.1119 172.5879 134 T 3.4724 8.0651 118.0508 61.1469 65.0382 174.6425 135 V 4.4545 8.0893 128.3999 60.2400 33.9602 176.8789 136 R 4.2482 8.1626 121.3260 54.8861 27.5867 179.7122 *137 F 4.7557 7.1993 116.3061 57.2461 41.6683 176.6729 138 N 4.6914 8.5146 126.9762 52.5624 39.3333 172.1252 139 V 3.9710 8.2393 120.6979 62.6281 32.2123 177.0807 140 V 3.6408 9.1333 128.5195 60.9945 31.6037 173.3982 141 K 4.6334 8.2054 119.7331 53.2992 36.2103 179.1255 142 V 4.2419 8.3544 123.0663 61.5989 30.9889 177.1003 143 S 4.4015 8.8696 126.1475 59.9005 62.9279 171.5419 144 A 4.8485 8.2076 120.9558 50.0766 21.2130 177.0586 145 A 4.0378 8.2763 122.4534 53.0261 19.0987 176.4137 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 69 K 8.41 4.27 0.00 1.79 0.81 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 70 I 7.91 4.62 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 1.27 0.79 0.91 0.00 0.00 71 L 8.21 4.67 0.00 1.59 1.44 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 72 T 7.96 4.90 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 73 G 8.02 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 74 T 8.08 4.91 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 75 V 8.47 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 0.61 0.00 0.00 0.93 0.00 0.00 76 V 8.97 3.63 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 0.87 0.00 0.00 0.93 0.00 0.00 77 S 7.77 4.67 0.00 3.60 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 78 T 8.70 3.85 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 79 K 8.17 4.12 0.00 1.77 1.67 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.36 1.00 7.81 80 M 8.99 5.08 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.84 0.00 *81 H 7.29 3.79 0.00 2.95 2.93 0.00 7.30 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.49 3.84 0.00 1.99 1.87 0.00 3.34 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00 83 T 7.14 4.89 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 84 I 7.20 4.11 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 1.27 0.54 0.91 0.00 0.00 85 V 7.58 3.91 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 0.85 0.00 0.00 0.93 0.00 0.00 86 I 7.01 3.16 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 1.27 0.47 0.91 0.00 0.00 87 R 8.89 4.83 0.00 1.66 1.83 0.00 3.22 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.41 0.00 88 R 8.02 4.70 0.00 1.86 1.82 0.00 3.17 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.44 0.00 89 A 8.08 4.86 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 *90 Y 7.59 4.18 0.00 2.11 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 0.00 0.00 0.00 0.00 91 L 8.31 4.36 0.00 1.38 1.46 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 *92 H 8.54 4.37 0.00 2.78 2.87 0.00 7.14 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *93 Y 8.82 4.37 0.00 2.21 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 0.00 0.00 0.00 0.00 94 I 7.86 3.53 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 1.27 0.95 0.91 0.00 0.00 95 P 0.00 4.11 0.00 2.08 1.72 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.58 0.00 96 K 8.44 4.53 0.00 1.78 1.65 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.07 7.81 *97 Y 9.14 3.42 0.00 2.49 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 N 9.66 4.40 0.00 2.73 3.04 0.00 0.00 7.48 7.66 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 99 R 7.94 3.91 0.00 1.82 1.88 0.00 3.23 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 *100 Y 7.81 4.23 0.00 2.33 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 0.00 0.00 0.00 0.00 101 E 8.16 4.91 0.00 1.82 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 2.14 1.79 0.00 102 K 7.94 4.51 0.00 1.77 1.69 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.36 1.00 7.81 103 R 7.85 4.26 0.00 1.59 1.78 0.00 3.28 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 *104 H 8.30 4.48 0.00 2.63 2.85 0.00 7.15 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 K 7.98 4.67 0.00 1.41 1.69 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.29 1.24 7.81 106 N 8.79 5.24 0.00 2.47 2.59 0.00 0.00 6.36 7.67 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 0.00 107 V 8.14 4.66 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 0.84 0.00 0.00 0.93 0.00 0.00 108 P 0.00 4.91 0.00 1.85 1.85 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.59 0.00 109 V 8.88 4.49 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 0.82 0.00 0.00 0.93 0.00 0.00 *110 H 8.82 4.28 0.00 2.93 2.87 0.00 7.16 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.42 3.47 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 0.76 0.00 0.00 0.93 0.00 0.00 112 S 7.09 6.04 0.00 3.73 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 0.00 113 P 0.00 5.04 0.00 1.94 1.92 0.00 3.64 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 1.93 1.58 0.00 114 A 8.09 4.62 1.18 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 0.00 0.00 *115 F 9.82 3.57 0.00 2.49 2.35 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 0.00 116 R 7.39 4.40 0.00 1.76 1.71 0.00 3.18 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.03 0.00 117 V 8.35 4.54 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 0.91 0.00 0.00 0.93 0.00 0.00 118 Q 8.30 4.72 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.81 0.00 0.00 0.00 0.00 0.00 2.18 1.88 0.00 119 V 8.12 3.76 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 0.00 120 G 8.45 3.77 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 0.00 0.00 0.00 121 D 8.72 4.33 0.00 2.77 2.62 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 0.00 0.00 0.00 0.00 122 I 8.09 5.61 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 1.20 0.50 0.91 0.00 0.00 123 V 8.48 4.49 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 0.87 0.00 0.00 0.93 0.00 0.00 124 T 9.11 4.17 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 0.00 125 V 8.10 3.48 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 0.66 0.00 0.00 0.93 0.00 0.00 126 G 9.85 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 0.00 0.00 0.00 127 Q 7.93 3.29 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.96 0.00 0.00 0.00 0.00 0.00 2.24 1.95 0.00 128 C 8.08 4.50 0.00 2.72 2.78 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 0.00 0.00 0.00 129 R 8.79 4.27 0.00 1.83 1.74 0.00 3.26 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.19 0.00 130 P 0.00 4.13 0.00 2.10 1.85 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.65 0.00 131 I 7.86 3.92 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 1.27 1.10 0.91 0.00 0.00 132 S 8.40 4.61 0.00 3.59 3.69 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 0.00 133 K 8.25 4.94 0.00 1.81 1.73 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.06 7.81 134 T 8.07 3.47 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 0.00 135 V 8.09 4.45 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 0.75 0.00 0.00 0.93 0.00 0.00 136 R 8.16 4.25 0.00 1.83 1.79 0.00 3.29 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 *137 F 7.20 4.76 0.00 2.00 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 0.00 0.00 0.00 0.00 138 N 8.51 4.69 0.00 2.41 2.72 0.00 0.00 6.88 7.67 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 0.00 139 V 8.24 3.97 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 0.85 0.00 0.00 0.93 0.00 0.00 140 V 9.13 3.64 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 0.00 141 K 8.21 4.63 0.00 1.62 1.63 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.32 0.96 7.81 142 V 8.35 4.24 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 0.84 0.00 0.00 0.93 0.00 0.00 143 S 8.87 4.40 0.00 3.39 3.80 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 0.00 0.00 0.00 144 A 8.21 4.85 1.25 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 0.00 0.00 0.00 145 A 8.28 4.04 1.19 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.