NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 79 T 4.2357 8.1744 115.2452 61.7500 69.4632 173.0748 80 Q 4.0380 8.1985 122.0744 55.5297 29.8811 172.5975 81 E 3.8227 8.5768 127.6849 55.6280 28.4574 176.6222 82 A 3.9205 8.7758 128.0835 55.4111 18.9669 179.4079 83 F 4.3466 8.6456 116.9790 62.1636 39.0044 176.9787 84 D 3.9991 7.9319 118.1336 56.2603 40.6362 178.5033 85 L 4.1906 7.6392 117.7811 55.2701 42.0604 177.1974 86 I 4.3273 7.3511 110.1528 60.0295 38.3112 176.1509 87 S 3.7296 7.3436 117.9682 58.4027 62.5304 173.9929 88 K 3.8367 7.9698 123.7205 58.3636 32.5637 178.8437 89 E 4.5964 7.3122 121.4943 54.3283 32.2810 174.4661 90 N 4.1709 8.8469 117.8808 54.1804 38.9499 173.6333 91 P 4.3360 0.0000 0.0000 62.3283 32.1492 175.6112 92 S 4.6376 9.4988 114.2181 57.4693 64.4140 175.7683 93 S 4.2377 8.7588 116.1779 61.9739 62.6533 176.6014 94 Q 4.0434 7.8146 121.0140 58.6225 28.4385 178.3343 95 Y 3.9165 7.8650 119.8010 60.4603 38.7544 177.9353 96 W 4.3904 8.2242 119.1296 59.9131 29.4105 177.9341 97 K 3.7998 8.6316 119.7700 60.0152 31.4848 178.1458 98 E 3.9834 7.9410 118.5766 58.7231 29.5138 178.9494 99 V 3.3774 7.6861 118.3997 65.9351 31.6525 177.5308 100 A 4.0622 8.7393 121.1761 55.4759 18.0072 179.3471 101 E 3.8460 8.0240 116.9170 59.5008 29.7571 178.6193 102 Q 4.0048 8.1041 118.1689 59.3088 28.7058 179.3292 103 R 3.9012 8.5806 118.9411 59.4655 30.1636 178.5696 104 R 3.9719 7.9475 117.9153 59.7297 30.0352 177.7738 105 K 3.8762 8.5998 119.0072 59.9440 32.2029 178.5945 106 A 4.0233 8.2630 120.8580 54.8565 18.2379 179.2299 107 L 3.8865 8.8003 119.7545 58.4928 42.0877 178.6373 108 Y 4.1079 8.0571 119.3181 60.8454 38.5187 177.7070 109 E 3.2475 8.1042 119.6110 58.5142 29.5140 178.7295 110 A 3.9215 7.9058 121.1879 55.1542 18.6667 179.2538 111 L 3.8991 7.7523 117.3694 57.8837 41.5854 179.7094 112 K 3.7696 8.0379 119.5636 59.4905 32.0090 178.0673 113 E 3.8567 7.5651 118.9434 59.6576 29.5608 178.2535 114 N 4.1415 8.4381 116.6214 56.7323 38.6693 177.0932 115 E 4.0281 8.1243 119.3333 59.2088 29.5361 179.2183 116 K 3.8710 7.7610 119.6374 59.7306 32.2230 178.8326 117 L 3.9743 8.0469 119.1588 57.9775 41.3947 179.4025 118 H 4.2054 8.2081 116.3682 58.6143 28.6022 177.7112 119 K 3.9177 7.9768 120.2071 59.6120 31.9030 178.9862 120 E 3.9377 8.2698 118.4938 59.7513 29.4935 179.4023 121 I 3.7278 8.0083 119.8881 65.0055 37.1776 177.3214 122 E 3.9017 8.5032 119.9957 58.9270 29.3382 178.2171 123 Q 3.8954 8.5810 118.9210 59.8135 29.3194 179.6701 124 K 3.9350 8.5609 119.3092 59.6467 31.8617 179.0675 125 D 4.4083 7.9398 118.6269 57.2043 40.9805 178.7644 126 S 4.2171 8.0163 114.5681 61.4607 63.1716 175.7511 127 E 3.8719 8.1681 123.9771 59.0446 29.3712 178.7659 128 I 3.6840 8.2862 119.5036 64.5003 37.1039 178.2749 129 A 3.9241 8.3439 121.7264 55.1054 18.4575 179.2342 130 R 3.8350 8.0721 116.7999 59.9074 29.9965 178.3877 131 L 3.9688 7.9776 118.1809 58.0045 41.4863 179.7489 132 R 3.9934 7.6183 116.1169 59.6802 30.1218 177.9978 133 K 4.0001 8.6058 120.3432 57.7831 31.7986 178.6312 134 E 3.3739 7.9957 123.4714 58.9887 29.6233 178.6846 135 N 4.7228 7.9912 115.1376 54.0697 39.2637 177.0878 136 K 3.7651 8.6956 122.4929 59.6026 32.2291 178.5557 137 D 4.3663 8.1123 118.5428 57.3157 40.9543 178.4143 138 L 3.8741 7.3983 119.2303 58.0934 41.6430 179.7476 139 A 4.0464 7.9692 119.9068 54.9594 18.3868 179.1288 140 E 3.9113 7.5734 117.8358 59.0899 29.6468 178.7788 141 V 3.5463 8.4400 118.5018 66.0841 31.5831 177.6376 142 A 4.0240 8.0255 120.0694 55.3491 17.8623 178.8200 143 E 3.8782 8.2796 117.7266 60.0936 29.3427 178.8242 144 H 4.2545 8.4905 117.0170 59.3113 30.0680 176.8628 145 V 3.7438 8.2423 119.4967 66.2791 31.2237 177.7819 146 Q 4.1965 8.2568 117.6589 58.9042 28.5695 178.9487 147 Y 4.0770 7.5556 117.2344 57.9377 38.3667 177.3654 *149 A 4.2467 8.0778 123.2272 51.7264 20.6925 179.9100 150 E 3.8739 7.7493 114.5350 59.5189 29.8399 178.9417 151 V 3.5703 7.2338 118.2367 66.3291 31.4435 177.7062 152 I 3.6012 7.7136 118.4777 64.7424 36.8885 177.5827 153 E 3.8282 8.0687 119.7887 59.7640 29.2326 179.5159 154 R 3.9385 7.7323 116.1631 58.8246 30.1846 178.2945 155 L 4.1066 7.6602 116.4546 54.9074 41.7226 177.1947 156 S 4.2535 8.0483 121.0832 59.0177 63.3648 170.7772 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 79 T 8.17 4.24 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 1.22 0.00 0.00 80 Q 8.20 4.04 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 81 E 8.58 3.82 0.00 2.22 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 2.46 2.42 0.00 82 A 8.78 3.92 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 83 F 8.65 4.35 0.00 3.02 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 7.93 4.00 0.00 2.77 2.46 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 85 L 7.64 4.19 0.00 1.76 1.66 0.92 0.57 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 86 I 7.35 4.33 1.86 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.74 0.90 0.00 0.00 87 S 7.34 3.73 0.00 3.53 3.24 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 0.00 88 K 7.97 3.84 0.00 1.71 1.73 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.48 7.81 89 E 7.31 4.60 0.00 1.97 1.90 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 0.00 2.24 2.23 0.00 90 N 8.85 4.17 0.00 2.76 2.86 0.00 0.00 6.86 7.69 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 91 P 0.00 4.34 0.00 1.58 1.24 0.00 3.76 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.44 0.00 92 S 9.50 4.64 0.00 4.06 4.11 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 0.00 0.00 0.00 0.00 93 S 8.76 4.24 0.00 4.16 4.27 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.81 4.04 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 95 Y 7.87 3.92 0.00 2.99 2.88 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 96 W 8.22 4.39 0.00 3.59 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 97 K 8.63 3.80 0.00 1.94 2.07 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.51 7.81 98 E 7.94 3.98 0.00 2.02 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 2.23 2.27 0.00 99 V 7.69 3.38 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 0.84 0.00 0.00 0.16 0.00 0.00 100 A 8.74 4.06 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 3.85 0.00 2.09 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 2.30 2.35 0.00 102 Q 8.10 4.00 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.55 0.00 0.00 0.00 0.00 0.00 2.66 2.52 0.00 103 R 8.58 3.90 0.00 1.96 2.00 0.00 3.22 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.92 0.00 104 R 7.95 3.97 0.00 1.90 2.15 0.00 3.11 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 105 K 8.60 3.88 0.00 2.14 1.92 0.00 1.60 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.62 7.81 106 A 8.26 4.02 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 0.00 0.00 0.00 0.00 0.00 107 L 8.80 3.89 0.00 1.75 1.91 0.94 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 108 Y 8.06 4.11 0.00 3.14 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.10 3.25 0.00 2.17 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 2.23 2.20 0.00 110 A 7.91 3.92 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 0.00 111 L 7.75 3.90 0.00 1.87 1.77 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.04 3.77 0.00 1.35 1.64 0.00 1.49 0.00 0.00 1.51 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.41 7.81 113 E 7.57 3.86 0.00 2.12 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 2.27 2.32 0.00 114 N 8.44 4.14 0.00 2.96 2.87 0.00 0.00 7.13 7.29 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 0.00 115 E 8.12 4.03 0.00 2.21 2.02 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 2.58 2.49 0.00 116 K 7.76 3.87 0.00 1.75 2.03 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.48 7.81 117 L 8.05 3.97 0.00 1.79 1.63 0.87 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 118 H 8.21 4.21 0.00 3.41 3.34 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 K 7.98 3.92 0.00 2.06 1.87 0.00 1.58 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.55 7.81 120 E 8.27 3.94 0.00 2.12 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 0.00 2.33 2.49 0.00 121 I 8.01 3.73 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.96 0.92 0.00 0.00 122 E 8.50 3.90 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 2.31 2.33 0.00 123 Q 8.58 3.90 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.53 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 124 K 8.56 3.94 0.00 1.80 1.86 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.64 7.81 125 D 7.94 4.41 0.00 2.97 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 0.00 126 S 8.02 4.22 0.00 4.08 4.12 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 0.00 127 E 8.17 3.87 0.00 2.06 2.01 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 2.32 2.38 0.00 128 I 8.29 3.68 2.12 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 1.45 0.88 0.91 0.00 0.00 129 A 8.34 3.92 1.36 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 0.00 0.00 130 R 8.07 3.84 0.00 1.88 2.10 0.00 3.18 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 131 L 7.98 3.97 0.00 1.75 1.69 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 132 R 7.62 3.99 0.00 1.88 2.00 0.00 3.17 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 133 K 8.61 4.00 0.00 1.94 1.81 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 134 E 8.00 3.37 0.00 2.16 2.01 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 2.35 2.57 0.00 135 N 7.99 4.72 0.00 2.85 2.84 0.00 0.00 6.47 8.09 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 0.00 136 K 8.70 3.77 0.00 1.89 1.80 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.49 7.81 137 D 8.11 4.37 0.00 2.73 2.69 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 0.00 138 L 7.40 3.87 0.00 1.68 1.75 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 139 A 7.97 4.05 1.32 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 0.00 0.00 0.00 140 E 7.57 3.91 0.00 2.08 2.01 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 2.31 2.31 0.00 141 V 8.44 3.55 2.28 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 0.98 0.00 0.00 0.97 0.00 0.00 142 A 8.03 4.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.28 3.88 0.00 2.13 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 0.00 2.35 2.37 0.00 144 H 8.49 4.25 0.00 3.35 3.52 0.00 5.83 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 0.00 145 V 8.24 3.74 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 0.90 0.00 0.00 0.96 0.00 0.00 146 Q 8.26 4.20 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 147 Y 7.56 4.08 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *149 A 8.08 4.25 1.36 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 0.00 0.00 150 E 7.75 3.87 0.00 2.01 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 0.00 2.33 2.54 0.00 151 V 7.23 3.57 1.66 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 0.90 0.00 0.00 0.53 0.00 0.00 152 I 7.71 3.60 1.97 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 1.46 0.66 0.87 0.00 0.00 153 E 8.07 3.83 0.00 2.19 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 0.00 2.30 2.43 0.00 154 R 7.73 3.94 0.00 1.99 1.96 0.00 3.21 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 155 L 7.66 4.11 0.00 1.69 1.70 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 156 S 8.05 4.25 0.00 4.00 3.87 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.