NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 49 G 3.9604 8.3393 109.7379 46.1358 0.0000 173.2454 50 T 4.1947 8.4065 107.6815 61.1515 70.6036 172.6188 51 Q 5.0122 8.1434 121.5931 53.3187 32.9673 176.5983 52 G 4.2836 7.0310 107.8957 46.5529 0.0000 171.1900 53 F 5.2662 8.3431 120.3008 55.9759 43.5783 174.0405 54 A 5.0572 8.9382 120.0571 50.9986 23.2838 175.5329 55 V 4.7416 9.0430 120.0763 61.0938 34.4788 174.0701 56 L 5.3360 9.0756 131.4287 53.4749 43.9833 175.1651 57 S 5.3264 9.0517 121.3878 57.0099 66.5343 172.4771 58 Y 5.1406 7.9450 117.8943 56.7076 41.7911 172.6580 59 V 4.8071 8.9259 120.9548 61.5137 34.0591 173.5704 60 Y 5.2756 9.4250 129.8385 57.5089 39.9770 175.2840 61 E 3.1889 8.7610 120.4215 58.8821 31.0732 175.5417 *79 H 4.6596 7.8145 116.2923 54.9114 31.2406 173.9485 80 D 4.6140 8.2016 115.4568 55.2580 39.0984 173.8091 81 L 4.2759 7.4204 120.4460 56.1110 44.0298 176.3134 82 S 4.4697 7.8069 115.2062 58.3322 62.8964 174.4096 83 V 4.0044 8.9797 125.6992 65.0625 32.2614 176.0114 84 A 4.7139 7.5161 119.2307 51.1947 22.4820 175.1030 85 T 5.0404 8.4908 116.6250 61.6393 72.3349 173.0234 86 L 4.7575 9.2413 128.2229 53.5289 44.7548 174.4543 87 H 5.3060 8.8989 122.8411 54.0058 31.1784 173.7125 88 V 4.4431 8.9009 123.1297 61.2941 34.6765 174.2096 89 H 4.8975 8.9006 125.1136 55.5907 29.5805 175.2131 90 I 4.0643 8.4923 125.8916 63.3723 37.6161 175.1620 91 N 4.4777 7.4974 114.5391 52.6803 39.4839 173.8423 92 H 4.2566 8.9936 114.4947 59.1106 28.7591 176.0793 93 D 4.6741 8.8531 117.3719 54.6805 42.1140 176.2098 94 D 5.2852 7.7956 119.1677 52.4876 43.7606 175.1163 95 C 5.1992 8.7301 122.7035 57.4831 34.7215 172.1632 96 L 4.8014 9.2992 128.9688 54.1726 43.3573 174.8337 97 E 4.9435 8.9037 126.0828 54.3946 32.8177 174.9426 98 I 4.8515 8.8085 124.7536 59.3882 40.4111 174.1937 99 A 5.0752 9.3093 129.5201 50.0438 21.8831 174.9033 100 V 4.5489 8.9626 123.6045 61.6481 33.1060 174.8801 101 L 5.2300 8.9695 128.2810 52.9955 45.1097 175.6389 102 K 4.3292 8.4753 119.6336 55.2373 35.6772 176.9648 103 G 3.4775 7.6045 110.0687 44.9537 0.0000 171.1815 104 D 4.7655 8.2664 121.3326 54.4234 42.5276 177.9013 105 M 4.0689 10.6600 127.0463 58.3852 31.9564 179.2773 106 G 3.4763 8.9826 106.4951 47.8334 0.0000 175.6947 107 D 4.4217 8.0404 120.9345 56.7653 40.8866 178.9070 108 V 3.5424 7.8850 119.2163 66.0318 31.4961 177.8569 109 Q 4.0085 8.1551 119.3273 59.6394 28.8661 178.0216 110 H 4.4940 8.1834 117.2259 58.5946 28.6539 177.6543 111 F 4.0085 8.3707 122.4301 61.3031 39.2345 177.0098 112 A 4.0963 8.3546 120.4174 55.2300 18.2344 179.1583 113 D 4.2958 8.4632 117.7017 57.8465 40.7438 178.9241 114 D 4.2690 7.7218 117.7227 57.1807 41.0737 178.8380 115 V 3.4239 7.4140 118.6599 66.0606 31.3494 178.2993 116 I 3.7058 7.6632 117.7584 63.7219 36.9661 177.6991 117 A 4.1258 7.5429 119.7808 52.8053 18.9316 177.5361 118 Q 4.1841 7.5160 117.9736 54.9593 29.6214 176.1538 119 R 4.1266 8.3243 121.4994 57.5997 30.8879 177.0380 120 G 3.8100 8.9270 109.3978 45.1891 0.0000 173.1556 121 V 4.6163 7.2676 119.2717 61.9221 32.2272 175.2605 122 R 4.6721 8.7306 125.6384 55.3699 33.8182 174.4056 123 H 4.3818 8.7945 113.3307 56.8002 26.3008 175.6227 124 G 3.9689 8.2406 105.7559 46.7643 0.0000 173.5449 125 H 5.0621 9.8063 124.2279 54.2109 33.7873 171.4934 126 L 5.0641 8.3374 126.9394 53.3507 44.2969 174.9120 127 Q 4.5454 9.3246 128.8267 54.7799 30.5601 174.0772 128 C 4.7662 8.6509 124.4424 59.0379 29.9722 174.1959 129 L 4.8982 9.0280 122.3227 51.7888 42.1024 173.5816 130 P 4.6787 0.0000 0.0000 62.5807 32.5777 177.9254 131 K 4.1467 8.4813 122.6485 55.2666 31.5540 176.0993 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 49 G 8.34 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 50 T 8.41 4.19 4.22 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 1.20 0.00 0.00 51 Q 8.14 5.01 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 52 G 7.03 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.34 5.27 0.00 2.94 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 54 A 8.94 5.06 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 55 V 9.04 4.74 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 0.78 0.00 0.00 0.96 0.00 0.00 56 L 9.08 5.34 0.00 1.91 1.68 1.11 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 57 S 9.05 5.33 0.00 3.85 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.94 5.14 0.00 3.29 3.12 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 0.00 0.00 0.00 0.00 59 V 8.93 4.81 2.22 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 1.06 0.00 0.00 1.02 0.00 0.00 60 Y 9.43 5.28 0.00 3.20 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 61 E 8.76 3.19 0.00 1.88 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.46 0.00 *79 H 7.81 4.66 0.00 3.38 3.46 0.00 5.80 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 80 D 8.20 4.61 0.00 2.86 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 81 L 7.42 4.28 0.00 1.56 1.30 0.83 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 82 S 7.81 4.47 0.00 3.78 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.98 4.00 2.23 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 0.79 0.00 0.00 0.92 0.00 0.00 84 A 7.52 4.71 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 85 T 8.49 5.04 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 1.22 0.00 0.00 86 L 9.24 4.76 0.00 1.68 1.46 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.90 5.31 0.00 3.01 3.19 0.00 5.69 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.90 4.44 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 0.92 0.00 0.00 89 H 8.90 4.90 0.00 3.17 3.20 0.00 5.76 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.49 4.06 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.52 0.92 0.00 0.00 91 N 7.50 4.48 0.00 2.85 2.89 0.00 0.00 6.22 7.90 0.00 0.00 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 H 8.99 4.26 0.00 3.17 3.40 0.00 5.68 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.85 4.67 0.00 2.67 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 94 D 7.80 5.29 0.00 2.67 2.57 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 0.00 0.00 0.00 0.00 95 C 8.73 5.20 0.00 3.16 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 96 L 9.30 4.80 0.00 1.76 1.64 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.90 4.94 0.00 1.16 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 1.98 2.12 0.00 98 I 8.81 4.85 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.04 0.90 0.00 0.00 99 A 9.31 5.08 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 0.00 100 V 8.96 4.55 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 0.91 0.00 0.00 0.95 0.00 0.00 101 L 8.97 5.23 0.00 1.43 1.23 0.73 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 102 K 8.48 4.33 0.00 0.79 0.93 0.00 1.15 0.00 0.00 1.46 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.07 1.06 7.81 103 G 7.60 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.27 4.77 0.00 2.68 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 0.00 105 M 10.66 4.07 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.77 0.00 106 G 8.98 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.04 4.42 0.00 2.78 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 0.00 108 V 7.88 3.54 2.21 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 0.98 0.00 0.00 0.85 0.00 0.00 109 Q 8.16 4.01 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 110 H 8.18 4.49 0.00 3.45 3.33 0.00 5.69 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 F 8.37 4.01 0.00 3.21 3.22 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 0.00 112 A 8.35 4.10 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.46 4.30 0.00 2.94 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.72 4.27 0.00 2.54 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 0.00 115 V 7.41 3.42 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.50 0.00 0.00 116 I 7.66 3.71 1.91 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 1.45 0.49 0.89 0.00 0.00 117 A 7.54 4.13 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 0.00 118 Q 7.52 4.18 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.91 0.00 0.00 0.00 0.00 0.00 2.59 2.37 0.00 119 R 8.32 4.13 0.00 1.80 1.85 0.00 3.21 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 120 G 8.93 3.81 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 0.00 0.00 0.00 121 V 7.27 4.62 2.26 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 0.68 0.00 0.00 1.08 0.00 0.00 122 R 8.73 4.67 0.00 1.74 1.54 0.00 3.27 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.70 0.00 123 H 8.79 4.38 0.00 3.38 3.40 0.00 5.70 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 0.00 124 G 8.24 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 125 H 9.81 5.06 0.00 3.24 3.17 0.00 5.72 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.34 5.06 0.00 1.65 1.48 1.02 0.77 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 0.00 127 Q 9.32 4.55 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 128 C 8.65 4.77 0.00 2.91 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 0.00 129 L 9.03 4.90 0.00 1.72 1.58 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 130 P 0.00 4.68 0.00 2.16 2.07 0.00 3.81 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 2.00 1.99 0.00 131 K 8.48 4.15 0.00 1.81 1.64 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.40 1.27 7.81 * Residues marked with a * may have inaccurate shift predictions.