NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 41 A 4.4205 8.2649 123.5965 51.0015 19.9331 176.5259 42 P 4.3926 0.0000 0.0000 61.8939 32.3856 175.5035 43 E 4.5101 9.1560 118.7863 57.1765 30.1513 176.0903 44 S 5.3457 8.7125 114.0407 59.8604 67.8064 174.5190 45 F 5.0196 8.5965 117.9040 56.6859 41.8427 172.6277 46 D 5.8383 8.4802 120.6968 54.6118 42.7181 175.4310 47 E 4.7653 9.0928 122.9750 54.6382 34.0696 174.8510 48 V 4.6053 8.4453 120.9037 61.8886 31.7517 174.1824 49 Y 4.5911 8.8095 129.8469 56.6822 39.7059 175.7797 50 K 3.4744 9.0381 128.4231 57.8561 28.7903 176.6598 51 G 3.9774 7.9344 102.8394 46.0864 0.0000 171.7380 52 R 4.8058 7.5530 119.0590 54.0240 33.1966 175.2071 53 R 4.6843 8.9657 125.0431 56.2029 31.2100 174.9290 54 I 5.1844 9.2502 120.9201 59.3776 40.4105 174.7162 55 Q 4.5755 9.0516 123.4715 54.2751 33.5716 174.2511 56 G 3.9962 7.0755 107.1363 44.6315 0.0000 172.1215 57 R 5.0652 7.6539 116.6297 54.4332 32.7630 172.2161 58 P 4.3704 0.0000 0.0000 62.0501 32.1773 177.1755 59 A 4.5743 8.0309 123.1779 51.8628 21.1447 178.5794 *67 E 3.9279 8.9300 121.0183 59.0033 30.2735 174.2139 68 H 4.6266 9.2771 124.3713 54.8004 29.3816 172.0608 69 G 4.0496 9.2104 109.5005 43.0893 0.0000 169.5472 70 G 4.0620 9.4705 112.4625 43.7753 0.0000 175.6077 71 G 5.0900 8.8264 127.0700 46.5947 0.0000 171.0326 72 Y 4.6677 7.1944 120.4750 56.5033 42.3789 172.8460 73 E 4.9985 8.1856 121.3102 55.0049 34.1350 174.9027 74 V 4.9240 8.4989 123.7089 61.2898 35.4233 174.1656 75 F 5.1167 9.0208 123.2833 56.0041 43.4191 173.4789 76 V 4.7493 9.0366 124.2537 62.3657 33.0189 176.2877 77 D 3.9905 10.1759 125.8753 54.7046 40.4547 175.1587 78 G 4.8848 8.0808 119.0126 46.3340 0.0000 173.0140 79 V 4.1692 7.0713 119.8219 61.0912 32.9822 174.4399 80 Q 3.2316 8.0534 126.7885 55.2150 28.9378 175.2516 81 L 4.2506 7.8132 129.0916 53.9326 42.4237 175.6329 82 H 4.1579 8.8150 127.3691 57.0133 30.7335 174.4514 83 V 4.9310 8.2120 117.7406 60.0813 35.6819 174.8674 84 M 4.8148 8.9868 120.1741 54.4433 36.4346 174.4882 85 R 3.3569 8.2140 124.3160 54.9525 31.3320 175.4245 86 N 4.6902 8.6889 123.1778 51.6785 40.2202 176.0410 87 A 3.8041 8.6588 123.8756 55.1743 18.3846 178.3519 88 D 4.5187 7.9186 112.5617 53.3260 39.9306 177.2309 89 G 3.7844 8.4572 110.1249 45.1987 0.0000 174.0480 90 S 4.5565 9.2684 115.6258 58.0476 64.7433 173.0583 91 W 5.4715 9.9324 120.2383 55.0622 33.1452 174.6620 92 I 4.9970 8.6915 113.8388 59.9015 41.4094 173.2994 93 S 5.2058 8.5329 117.0162 56.1123 65.7686 175.1816 94 V 3.7642 8.6141 121.7771 63.9298 31.1544 177.4047 95 V 4.2953 7.4503 118.6750 60.8019 32.2534 175.9574 96 S 5.0580 7.2263 110.1556 59.5203 64.8312 177.3079 97 H 4.2814 8.2758 120.0028 58.1525 30.3727 174.7277 98 Y 4.6541 7.9116 114.4175 58.1546 38.5263 175.4043 99 D 4.9482 7.6740 120.2901 50.8824 40.8457 172.1557 100 P 4.6684 0.0000 0.0000 62.8830 32.0037 175.8666 101 V 4.6377 8.9571 117.2824 58.5832 35.2061 175.1017 102 P 4.2514 0.0000 0.0000 65.7525 31.5312 176.7940 103 T 4.8151 7.4690 107.1908 58.3841 73.2070 172.7849 104 P 3.6874 0.0000 0.0000 65.2113 31.1122 178.9619 105 R 2.5100 7.3491 117.0248 58.8018 29.7192 178.2504 106 A 3.7897 7.2756 119.6767 54.8881 18.2938 179.3060 107 A 4.1735 7.6712 118.6340 55.3076 18.4315 179.5289 108 A 4.0224 8.5453 119.3838 55.5789 18.4276 180.0985 109 R 4.0129 8.3655 116.5526 59.4592 30.1200 179.0578 110 A 4.1859 8.9822 121.5092 55.1495 18.2816 179.6650 111 A 3.9288 8.3753 119.5474 55.4768 18.6684 179.7849 112 V 3.6384 8.1012 116.9413 66.9745 31.2235 177.1289 113 D 4.3773 8.3658 117.4771 57.7638 40.6979 177.9041 114 E 4.0862 8.4491 120.8722 59.7232 30.0883 179.1735 115 L 4.0889 8.6945 119.0937 55.8494 41.3738 177.8228 116 Q 3.4812 9.0208 114.9005 56.8435 26.9005 174.8002 117 G 3.9563 8.4635 105.3319 45.0901 0.0000 174.8340 118 A 4.1743 8.0619 123.0352 51.3486 18.9852 175.3339 119 P 4.6777 0.0000 0.0000 61.7046 32.8214 175.8537 120 L 4.3499 8.2006 120.3699 54.1859 42.6376 176.3753 121 L 4.5126 8.1598 122.4915 52.7735 43.0424 175.0726 122 P 4.3920 0.0000 0.0000 63.0898 31.3649 176.1237 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 41 A 8.26 4.42 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.39 0.00 1.71 1.97 0.00 3.99 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 43 E 9.16 4.51 0.00 1.99 1.97 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 2.36 2.36 0.00 44 S 8.71 5.35 0.00 3.82 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 45 F 8.60 5.02 0.00 3.18 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 46 D 8.48 5.84 0.00 2.63 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 47 E 9.09 4.77 0.00 2.07 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 0.00 2.33 2.35 0.00 48 V 8.45 4.61 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 0.81 0.00 0.00 0.96 0.00 0.00 49 Y 8.81 4.59 0.00 2.91 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 50 K 9.04 3.47 0.00 1.13 1.49 0.00 1.15 0.00 0.00 0.63 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.17 1.12 7.81 51 G 7.93 3.98 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 0.00 0.00 0.00 52 R 7.55 4.81 0.00 1.89 1.84 0.00 3.11 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 53 R 8.97 4.68 0.00 2.00 1.84 0.00 3.33 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 54 I 9.25 5.18 2.21 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.49 1.10 0.00 0.00 55 Q 9.05 4.58 0.00 1.83 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.24 0.00 56 G 7.08 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 0.00 0.00 0.00 57 R 7.65 5.07 0.00 1.70 1.74 0.00 2.87 0.00 0.00 3.09 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.05 0.00 58 P 0.00 4.37 0.00 2.08 2.18 0.00 3.52 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.00 0.00 59 A 8.03 4.57 1.03 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 0.00 0.00 *67 E 8.93 3.93 0.00 2.00 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 2.24 2.49 0.00 68 H 9.28 4.63 0.00 3.12 3.22 0.00 5.93 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 9.21 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 70 G 9.47 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 0.00 0.00 0.00 0.00 71 G 8.83 5.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 7.19 4.67 0.00 3.23 2.76 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 73 E 8.19 5.00 0.00 2.01 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 2.27 2.29 0.00 74 V 8.50 4.92 2.25 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 1.15 0.00 0.00 1.05 0.00 0.00 75 F 9.02 5.12 0.00 2.90 2.86 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 76 V 9.04 4.75 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 1.03 0.00 0.00 0.99 0.00 0.00 77 D 10.18 3.99 0.00 2.78 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 78 G 8.08 4.88 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 79 V 7.07 4.17 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 0.99 0.00 0.00 0.99 0.00 0.00 80 Q 8.05 3.23 0.00 1.26 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 1.81 1.16 0.00 81 L 7.81 4.25 0.00 1.67 1.55 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 82 H 8.81 4.16 0.00 3.22 3.18 0.00 5.66 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.21 4.93 2.34 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 0.88 0.00 0.00 0.98 0.00 0.00 84 M 8.99 4.81 0.00 1.90 1.92 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 85 R 8.21 3.36 0.00 0.67 1.09 0.00 2.90 0.00 0.00 2.93 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.50 0.00 86 N 8.69 4.69 0.00 2.66 2.57 0.00 0.00 6.68 8.20 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 87 A 8.66 3.80 1.23 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 0.00 0.00 0.00 88 D 7.92 4.52 0.00 2.74 2.72 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 89 G 8.46 3.78 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 0.00 0.00 0.00 90 S 9.27 4.56 0.00 3.84 3.98 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 91 W 9.93 5.47 0.00 3.13 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 92 I 8.69 5.00 1.93 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.67 0.86 0.00 0.00 93 S 8.53 5.21 0.00 3.95 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 94 V 8.61 3.76 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 0.79 0.00 0.00 0.94 0.00 0.00 95 V 7.45 4.30 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 0.73 0.00 0.00 1.00 0.00 0.00 96 S 7.23 5.06 0.00 3.92 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 H 8.28 4.28 0.00 3.09 2.97 0.00 5.94 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 7.91 4.65 0.00 2.99 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 99 D 7.67 4.95 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.67 0.00 1.97 1.97 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 101 V 8.96 4.64 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 0.90 0.00 0.00 1.14 0.00 0.00 102 P 0.00 4.25 0.00 2.18 2.20 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 103 T 7.47 4.82 4.07 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 0.00 0.00 0.00 1.20 0.00 0.00 104 P 0.00 3.69 0.00 1.93 1.21 0.00 3.16 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.44 0.00 105 R 7.35 2.51 0.00 0.89 1.39 0.00 2.87 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.00 106 A 7.28 3.79 1.33 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 0.00 0.00 0.00 107 A 7.67 4.17 1.35 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 0.00 0.00 108 A 8.55 4.02 1.62 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 0.00 0.00 109 R 8.37 4.01 0.00 1.78 1.53 0.00 2.58 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.52 0.00 110 A 8.98 4.19 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.38 3.93 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.10 3.64 2.37 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 0.99 0.00 0.00 1.18 0.00 0.00 113 D 8.37 4.38 0.00 3.01 2.72 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 0.00 114 E 8.45 4.09 0.00 1.99 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 2.50 2.44 0.00 115 L 8.69 4.09 0.00 1.93 1.84 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 9.02 3.48 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.47 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 117 G 8.46 3.96 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 0.00 0.00 0.00 118 A 8.06 4.17 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.68 0.00 2.17 2.06 0.00 3.50 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.10 0.00 120 L 8.20 4.35 0.00 1.66 1.62 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.16 4.51 0.00 1.62 1.58 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 122 P 0.00 4.39 0.00 2.17 2.03 0.00 3.79 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 1.98 1.96 0.00 * Residues marked with a * may have inaccurate shift predictions.