NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 88 K 4.0483 8.1733 121.7469 54.5167 34.1173 178.2005 89 E 3.5923 8.8216 114.6310 56.6226 28.7197 172.2450 90 N 4.3705 9.4365 119.7175 53.0931 39.5699 172.8183 91 P 4.3126 0.0000 0.0000 65.8283 31.6704 178.2155 92 S 4.2145 8.1022 111.4548 60.9158 63.1648 174.8889 93 S 4.1393 8.0835 115.9298 58.9637 62.5440 173.9917 94 Q 4.5334 8.6415 126.9559 56.6154 29.6471 177.8736 95 Y 3.9147 7.8192 122.5948 60.8011 38.9808 177.1672 96 W 4.0953 8.1570 119.1483 58.9275 29.3429 178.3659 97 K 3.9361 8.1731 119.6088 59.5760 31.6928 178.1620 98 E 3.8391 7.8337 118.1859 59.4621 29.3373 179.4115 99 V 3.3327 7.3288 117.5591 66.1480 31.4841 177.7720 100 A 4.0062 8.0405 120.2437 55.2673 18.0805 179.3075 101 E 3.8334 8.1313 117.4375 59.4204 29.6632 178.6337 102 Q 3.9545 7.9573 118.1129 59.3458 28.7644 179.3679 103 R 3.9113 8.2185 118.7354 59.3978 30.0868 178.6825 104 R 4.0266 8.1598 118.4047 59.7025 30.0725 178.1421 105 K 3.8619 8.4880 117.9990 59.6475 32.0967 178.8601 106 A 3.9900 8.2981 120.8557 55.1724 18.2983 179.1407 107 L 3.8803 8.5181 119.4735 58.7696 42.1388 178.4618 108 Y 4.0167 8.8723 119.8200 60.7946 38.6060 178.2356 109 E 3.9236 8.2517 118.8723 59.5386 29.7865 178.8914 110 A 3.9993 8.1646 120.8316 55.1740 18.2313 179.7503 111 L 3.9115 8.0474 117.2993 58.0627 42.0127 179.0179 112 K 3.7524 7.5821 118.9856 59.6346 32.0589 177.5794 113 E 3.8856 8.3408 118.4952 59.8953 29.2778 179.3926 114 N 4.3224 8.1239 116.4927 56.3717 39.0217 176.6160 115 E 3.9806 8.6469 121.3547 58.9964 29.8052 178.4949 116 K 3.8430 7.8762 119.5548 59.7895 32.3324 178.6506 117 L 3.9967 8.2544 119.2784 58.0006 41.4793 179.4585 118 H 4.2488 7.7486 114.9996 58.7351 28.7967 177.8978 119 K 4.0541 8.0302 120.1065 59.3872 31.8123 179.3483 120 E 4.3868 8.2476 120.3700 59.0066 29.0538 179.3822 121 I 3.8055 7.8980 119.4289 63.5864 36.8884 178.2451 122 E 3.9510 7.8785 120.3687 59.2680 29.4483 178.6081 123 Q 3.9805 8.0500 117.9582 59.1324 28.9900 178.8350 124 K 3.8647 8.1229 119.3190 59.7184 31.9424 179.0244 125 D 4.4075 7.7557 118.8062 57.1089 40.8621 178.9532 126 S 4.1120 7.8656 114.9901 61.3460 63.1208 176.0449 127 E 3.9304 8.5962 123.3773 59.1937 29.2487 178.9798 128 I 3.7461 7.8003 119.3285 63.9571 36.9045 177.9798 129 A 3.9944 7.8618 121.0720 56.1848 18.4364 179.1404 130 R 3.7861 8.5089 116.4767 59.0455 29.9016 178.7080 131 L 3.9396 8.2847 118.6216 58.6387 41.9903 180.3009 132 R 3.9374 8.3113 117.8850 59.4331 29.8992 178.2607 133 K 4.0197 8.8893 120.3912 58.5574 31.9036 179.3829 134 E 3.7205 7.3228 120.4756 58.7529 31.1270 178.6854 135 N 4.4312 8.3445 117.5187 56.6847 39.1451 176.8223 136 K 3.9612 8.4670 121.4227 59.4975 32.0474 178.3018 137 D 4.5110 8.3995 118.4940 56.2034 41.0066 177.4921 138 L 4.5261 7.7664 118.3497 54.2619 41.9882 177.8044 139 A 3.9725 7.8909 123.2746 55.4084 18.3284 179.5046 140 E 3.8986 8.3292 116.7022 60.0374 29.3377 180.0902 141 V 3.6714 7.8140 116.6880 64.8915 31.6837 177.5843 142 A 4.1434 7.9531 121.2047 54.8711 18.1317 179.4543 143 E 3.8918 8.2738 117.1097 60.0584 29.1204 178.8001 144 H 4.0789 8.0336 117.7215 59.7157 29.5488 177.0025 145 V 3.6517 7.4257 118.4244 65.9497 31.6630 177.8739 146 Q 4.1625 8.1807 117.7673 59.1270 28.6096 177.9698 147 Y 4.0219 7.1991 116.5624 58.9212 39.5976 177.7818 *149 A 4.1085 8.0503 120.9865 51.8450 20.2406 178.8322 150 E 3.7957 8.3684 114.8818 59.8876 29.7676 179.2545 151 V 3.5857 7.9758 118.8033 65.0536 31.5166 178.3486 152 I 3.6321 7.5961 120.0001 63.9700 36.7122 178.0067 153 E 4.0571 8.1522 118.6248 58.9288 29.5815 179.0800 154 R 4.1447 8.0215 118.5718 58.5411 29.9390 178.1342 155 L 4.3333 7.3493 114.8561 55.8462 41.5751 178.1743 156 S 4.5075 7.9212 114.4604 59.4382 64.0964 173.6435 157 N 4.2932 7.1887 121.4834 52.4987 39.2793 173.7773 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 88 K 8.17 4.05 0.00 1.66 1.86 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.54 7.81 89 E 8.82 3.59 0.00 2.29 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 0.00 2.29 2.49 0.00 90 N 9.44 4.37 0.00 2.74 2.77 0.00 0.00 6.98 8.26 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 91 P 0.00 4.31 0.00 2.10 2.17 0.00 3.77 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 92 S 8.10 4.21 0.00 4.00 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 93 S 8.08 4.14 0.00 3.88 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 94 Q 8.64 4.53 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.70 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 95 Y 7.82 3.91 0.00 2.93 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 96 W 8.16 4.10 0.00 3.54 3.25 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 97 K 8.17 3.94 0.00 1.86 1.98 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.54 7.81 98 E 7.83 3.84 0.00 2.04 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 2.27 2.35 0.00 99 V 7.33 3.33 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.02 0.00 0.00 100 A 8.04 4.01 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 3.83 0.00 2.11 2.06 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 2.27 2.36 0.00 102 Q 7.96 3.95 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 103 R 8.22 3.91 0.00 1.87 2.02 0.00 3.19 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 104 R 8.16 4.03 0.00 2.05 2.15 0.00 3.12 0.00 0.00 3.39 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 105 K 8.49 3.86 0.00 2.10 1.88 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.55 7.81 106 A 8.30 3.99 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 0.00 107 L 8.52 3.88 0.00 1.87 1.91 0.94 0.46 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 0.00 108 Y 8.87 4.02 0.00 3.16 3.11 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 0.00 109 E 8.25 3.92 0.00 2.45 2.00 0.00 0.00 0.00 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 2.41 0.00 110 A 8.16 4.00 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.05 3.91 0.00 1.72 1.59 0.90 0.58 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 0.00 112 K 7.58 3.75 0.00 1.85 1.89 0.00 1.49 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.41 1.51 7.81 113 E 8.34 3.89 0.00 2.18 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 2.48 0.00 114 N 8.12 4.32 0.00 2.85 2.98 0.00 0.00 6.94 6.94 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 0.00 115 E 8.65 3.98 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 116 K 7.88 3.84 0.00 1.87 2.06 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.48 7.81 117 L 8.25 4.00 0.00 1.62 1.65 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 118 H 7.75 4.25 0.00 3.63 3.32 0.00 5.82 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 8.03 4.05 0.00 1.80 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.70 1.62 7.81 120 E 8.25 4.39 0.00 2.18 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 2.32 2.34 0.00 121 I 7.90 3.81 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.09 0.92 0.00 0.00 122 E 7.88 3.95 0.00 2.16 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 2.30 2.35 0.00 123 Q 8.05 3.98 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.49 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 124 K 8.12 3.86 0.00 2.06 1.88 0.00 1.54 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.55 7.81 125 D 7.76 4.41 0.00 2.99 2.70 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 0.00 126 S 7.87 4.11 0.00 3.99 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 8.60 3.93 0.00 2.14 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 2.31 2.40 0.00 128 I 7.80 3.75 2.01 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 0.66 0.91 0.00 0.00 129 A 7.86 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.51 3.79 0.00 2.02 1.89 0.00 3.16 0.00 0.00 3.17 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 131 L 8.28 3.94 0.00 1.88 1.76 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 132 R 8.31 3.94 0.00 2.04 1.97 0.00 3.13 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 133 K 8.89 4.02 0.00 1.98 1.77 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.59 7.81 134 E 7.32 3.72 0.00 2.18 2.03 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 2.29 2.43 0.00 135 N 8.34 4.43 0.00 2.99 2.98 0.00 0.00 6.95 6.85 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 0.00 136 K 8.47 3.96 0.00 1.93 1.79 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.48 7.81 137 D 8.40 4.51 0.00 2.83 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 0.00 138 L 7.77 4.53 0.00 1.85 1.67 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 139 A 7.89 3.97 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 0.00 140 E 8.33 3.90 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 141 V 7.81 3.67 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 0.83 0.00 0.00 0.95 0.00 0.00 142 A 7.95 4.14 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 0.00 143 E 8.27 3.89 0.00 2.21 2.03 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 2.35 2.34 0.00 144 H 8.03 4.08 0.00 3.25 3.61 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 7.43 3.65 2.29 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 0.90 0.00 0.00 1.04 0.00 0.00 146 Q 8.18 4.16 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 147 Y 7.20 4.02 0.00 2.99 3.09 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 *149 A 8.05 4.11 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 0.00 150 E 8.37 3.80 0.00 2.13 1.88 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 2.30 2.34 0.00 151 V 7.98 3.59 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 -0.07 0.00 0.00 0.78 0.00 0.00 152 I 7.60 3.63 1.93 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 1.59 1.01 0.88 0.00 0.00 153 E 8.15 4.06 0.00 2.14 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 2.47 0.00 154 R 8.02 4.14 0.00 1.96 1.93 0.00 3.09 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 155 L 7.35 4.33 0.00 1.85 1.68 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 156 S 7.92 4.51 0.00 3.80 3.73 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 0.00 157 N 7.19 4.29 0.00 2.71 2.77 0.00 0.00 7.15 7.56 0.00 0.00 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.