NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5898 8.3649 119.5530 53.1650 41.1666 177.2883 4 H 4.1352 9.3086 110.8770 55.3136 30.3858 169.3151 5 V 4.4293 8.6910 123.1981 61.2918 35.2028 173.4517 6 Y 5.1970 8.7501 123.9981 56.1092 41.0464 174.6990 7 K 4.4697 8.1687 123.0920 54.5765 35.1826 174.7859 8 I 4.8174 8.1874 126.3193 59.6476 39.4423 175.2241 9 V 4.5490 8.7256 120.2042 59.4645 35.0752 174.2547 10 E 5.0574 8.7146 124.1560 54.7144 31.0247 174.9860 11 L 4.9444 8.9937 126.1820 53.1384 46.5270 175.3582 12 T 4.9452 8.5277 115.7602 60.4024 69.6825 173.3402 13 G 4.1354 8.8727 116.4032 45.1715 0.0000 172.1786 14 S 5.5146 8.2443 116.1679 56.5715 65.5848 173.0974 15 S 4.8133 8.6150 117.8236 56.9659 65.8136 173.7655 16 P 4.8052 0.0000 0.0000 64.2776 31.6569 176.4566 17 N 4.6627 9.5165 116.6629 52.7067 39.9521 175.4461 18 G 2.8539 7.2744 103.6958 44.3396 0.0000 172.5306 19 I 3.5706 7.1604 119.5478 64.5216 37.0558 178.1203 20 E 3.9225 8.0008 118.8120 59.6511 29.2254 179.3211 21 E 3.8826 8.0197 117.6667 59.1748 29.7201 178.9496 22 A 4.0020 7.9874 121.1003 55.2488 18.4017 180.1441 23 V 3.4819 7.7656 117.6114 64.8721 31.5120 178.1648 24 N 4.1659 8.2132 117.3137 56.1878 38.3464 176.9342 25 N 4.2587 8.3561 117.5881 56.3200 38.7658 177.3093 26 A 3.9319 7.7887 121.5717 55.2732 18.4355 179.8197 27 I 3.6408 8.0652 118.5148 63.9856 37.1870 178.3365 28 A 3.9269 8.4808 122.0695 55.5142 17.8961 180.0070 29 R 3.8740 8.1575 115.9533 59.1016 29.9397 179.3117 30 A 4.1793 7.9337 120.6887 54.9295 18.2019 179.8366 31 G 3.3068 7.9823 103.3324 47.8241 0.0000 175.4362 32 E 4.0592 7.8043 119.6039 59.2395 29.5874 178.4427 33 T 4.2566 7.1677 111.0635 61.7325 68.3963 174.1653 34 L 4.4775 7.9559 120.3544 52.6461 43.9941 175.4488 35 R 4.4706 7.3358 114.6318 55.9792 32.6890 174.2546 36 H 4.0972 8.6529 114.0817 56.9493 25.4183 175.4307 37 L 4.5468 8.0041 118.8254 55.3633 42.3149 176.7508 38 R 4.8498 9.2770 122.7814 57.1566 32.0982 176.2186 39 W 5.5733 7.8701 113.8077 55.0630 32.0860 173.0497 40 F 5.3911 8.4727 114.1273 55.3956 41.0796 173.4208 41 E 4.6232 9.4507 120.1163 54.3653 33.0516 174.4535 42 V 4.3852 8.6974 127.4122 63.0087 31.5481 175.8831 43 V 4.0982 8.8056 128.5509 62.7330 32.7539 175.9861 44 D 4.5823 7.2739 119.0810 54.0502 44.2684 174.8773 45 T 5.1699 8.8298 121.8372 62.1077 71.4549 173.2336 46 R 4.7311 9.2354 124.8563 55.0660 35.1199 173.8860 47 G 4.0518 8.0775 104.5538 46.5196 0.0000 172.2836 48 H 4.9497 8.3983 120.5966 54.3903 32.1459 173.4749 49 I 4.8300 7.8379 125.3773 59.4446 39.1988 174.6400 50 E 4.6041 9.2014 127.8690 55.1780 33.2083 175.2776 51 G 3.6998 8.5159 113.8748 47.3176 0.0000 174.7744 52 G 4.2069 8.6420 108.2575 44.5567 0.0000 172.3547 53 R 4.5894 7.9203 114.4660 53.4465 32.7442 174.4684 54 V 3.8885 8.2933 120.1288 63.1611 31.6781 175.2580 55 N 4.8841 8.5192 124.0854 53.2188 39.1436 174.6600 56 H 5.0691 7.6598 117.0559 54.1833 33.5190 172.1513 57 W 4.8036 9.6342 124.4292 55.8726 30.9533 175.4658 58 Q 4.7195 9.4730 124.0920 54.3501 31.2402 174.3907 59 V 4.7524 8.6033 125.2638 61.3327 33.7679 174.2908 60 T 5.2201 9.0839 123.5159 60.7306 69.5543 173.5885 61 V 5.0401 8.9939 126.6534 60.2766 35.5812 173.5128 62 K 4.9525 9.5072 122.9691 54.8290 34.5237 175.2417 63 V 4.5805 8.8860 125.5906 60.9360 34.1893 174.2195 64 G 3.2569 8.3040 115.7283 43.9997 0.0000 172.3949 65 F 5.6848 8.4232 118.8875 55.2423 41.9709 173.9032 66 T 4.2247 8.8502 118.3449 63.5600 68.8638 174.2436 67 L 4.0993 8.3226 127.7578 55.2823 42.0574 174.5044 68 E 4.1566 9.2519 120.1486 56.7447 32.0189 176.1430 *69 G 3.7113 8.4874 111.0399 45.0867 0.0000 172.5019 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 3 D 8.36 4.59 0.00 2.71 2.36 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 4 H 9.31 4.14 0.00 2.85 2.84 0.00 5.80 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.69 4.43 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 1.00 0.00 0.00 0.89 0.00 0.00 6 Y 8.75 5.20 0.00 2.98 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 7 K 8.17 4.47 0.00 1.37 0.74 0.00 1.55 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.25 1.28 7.81 8 I 8.19 4.82 1.86 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.76 0.86 0.00 0.00 9 V 8.73 4.55 2.14 0.00 0.00 0.00 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 1.05 0.00 0.00 10 E 8.71 5.06 0.00 1.97 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 2.21 2.33 0.00 11 L 8.99 4.94 0.00 1.55 1.46 0.92 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.53 4.95 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 13 G 8.87 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.24 5.51 0.00 3.85 3.71 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 15 S 8.61 4.81 0.00 4.12 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.81 0.00 2.27 2.18 0.00 3.86 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 17 N 9.52 4.66 0.00 2.70 2.85 0.00 0.00 6.84 8.14 0.00 0.00 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 G 7.27 2.85 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 19 I 7.16 3.57 1.68 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 1.66 0.22 0.90 0.00 0.00 20 E 8.00 3.92 0.00 1.97 1.96 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 2.38 2.45 0.00 21 E 8.02 3.88 0.00 2.00 1.96 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 2.35 2.39 0.00 22 A 7.99 4.00 1.54 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 0.00 0.00 23 V 7.77 3.48 1.87 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 0.99 0.00 0.00 0.40 0.00 0.00 24 N 8.21 4.17 0.00 2.92 2.86 0.00 0.00 7.02 6.77 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 25 N 8.36 4.26 0.00 2.88 2.85 0.00 0.00 6.93 7.34 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 26 A 7.79 3.93 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 27 I 8.07 3.64 1.78 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.34 0.83 0.00 0.00 28 A 8.48 3.93 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 29 R 8.16 3.87 0.00 1.93 1.95 0.00 3.26 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 30 A 7.93 4.18 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 31 G 7.98 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 0.00 0.00 0.00 32 E 7.80 4.06 0.00 2.08 1.98 0.00 0.00 0.00 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 2.43 0.00 33 T 7.17 4.26 4.18 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 1.22 0.00 0.00 34 L 7.96 4.48 0.00 1.30 0.90 0.68 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.34 4.47 0.00 1.61 1.73 0.00 3.12 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.85 0.00 36 H 8.65 4.10 0.00 3.76 3.58 0.00 5.82 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 37 L 8.00 4.55 0.00 1.68 1.67 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 38 R 9.28 4.85 0.00 2.15 2.31 0.00 3.49 0.00 0.00 3.46 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 39 W 7.87 5.57 0.00 3.27 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 40 F 8.47 5.39 0.00 3.06 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 9.45 4.62 0.00 2.09 1.86 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 2.25 2.26 0.00 42 V 8.70 4.39 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 0.96 0.00 0.00 1.15 0.00 0.00 43 V 8.81 4.10 2.12 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 0.82 0.00 0.00 0.96 0.00 0.00 44 D 7.27 4.58 0.00 2.83 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.83 5.17 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 1.45 0.00 0.00 46 R 9.24 4.73 0.00 1.67 1.80 0.00 3.30 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 47 G 8.08 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 48 H 8.40 4.95 0.00 3.22 3.30 0.00 5.55 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.84 4.83 1.73 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.60 0.90 0.00 0.00 50 E 9.20 4.60 0.00 2.11 1.72 0.00 0.00 0.00 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 2.25 0.00 51 G 8.52 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 0.00 0.00 0.00 52 G 8.64 4.21 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 0.00 53 R 7.92 4.59 0.00 1.93 1.96 0.00 2.78 0.00 0.00 3.09 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.80 0.00 54 V 8.29 3.89 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 -0.22 0.00 0.00 0.56 0.00 0.00 55 N 8.52 4.88 0.00 2.63 2.82 0.00 0.00 6.82 7.30 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 56 H 7.66 5.07 0.00 3.10 3.18 0.00 5.80 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 W 9.63 4.80 0.00 3.43 3.26 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 58 Q 9.47 4.72 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 59 V 8.60 4.75 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 0.98 0.00 0.00 1.08 0.00 0.00 60 T 9.08 5.22 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 1.33 0.00 0.00 61 V 8.99 5.04 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 0.58 0.00 0.00 1.09 0.00 0.00 62 K 9.51 4.95 0.00 1.72 1.75 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.38 7.81 63 V 8.89 4.58 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 0.95 0.00 0.00 0.90 0.00 0.00 64 G 8.30 3.26 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 0.00 65 F 8.42 5.68 0.00 3.27 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 66 T 8.85 4.22 4.30 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 1.01 0.00 0.00 67 L 8.32 4.10 0.00 1.60 1.58 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 68 E 9.25 4.16 0.00 2.01 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 2.11 2.34 0.00 *69 G 8.49 3.71 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.