NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 75 K 4.2958 8.1727 120.1334 55.8778 33.8358 176.1926 76 E 3.7704 8.6565 121.1469 59.3518 29.4209 177.5807 77 N 4.3838 8.9187 117.3219 56.1499 39.0724 176.7007 78 E 4.0321 8.1094 119.8312 59.2516 29.5314 179.2568 79 I 3.7211 7.6542 119.4752 64.3601 37.1257 178.4747 80 L 4.0018 8.0554 119.8763 57.9605 41.3827 179.8892 81 R 3.9102 8.4487 118.4512 58.9681 29.9462 179.1860 82 R 3.8598 8.0651 118.6720 59.5525 29.9353 178.4445 83 E 3.9862 8.3004 117.5005 59.2374 29.4594 178.9068 84 L 4.0898 7.9971 119.9651 58.0781 42.4092 178.0526 85 D 4.5185 8.4342 118.4358 57.2158 40.9525 179.2388 86 R 4.3392 7.7372 117.3385 56.3670 30.2334 178.0163 *88 R 4.3483 8.0285 119.3504 56.0598 32.2129 177.0932 89 V 3.7496 7.3374 110.9330 60.3969 32.0198 174.4325 90 P 4.4115 0.0000 0.0000 61.9745 31.8493 174.3576 91 P 4.5746 0.0000 0.0000 62.4721 32.4623 174.9886 92 L 4.8475 8.0156 118.3834 53.1672 43.8068 176.4279 93 I 4.1126 8.3762 124.0397 60.9349 38.6930 175.2183 94 V 4.4872 8.4381 126.6570 62.3119 33.3409 174.8820 95 G 4.5051 9.1009 113.4130 45.3919 0.0000 170.8244 96 T 5.2048 8.9095 115.9570 61.1891 72.0363 174.3841 97 V 3.8721 8.9806 127.3125 63.6024 32.0161 176.2720 98 V 3.9690 8.8824 128.5580 64.7542 32.7295 175.5742 99 D 4.6974 7.6722 117.8537 52.9300 44.7179 173.9132 100 K 4.5316 8.6638 126.6563 55.6361 33.0154 176.2921 101 V 4.1024 8.5320 125.9713 63.7315 32.6071 174.9135 102 G 4.1774 7.4819 105.7023 44.3086 0.0000 171.7848 103 E 4.1461 8.8845 117.8227 59.0577 29.3920 178.2159 104 R 4.8184 7.7733 115.7540 55.6517 31.6860 175.6992 105 K 4.9305 8.1365 117.0181 54.9154 36.4526 175.9289 106 V 4.8843 8.6022 116.1693 59.7438 36.7829 174.3141 107 V 4.6092 8.9781 123.6574 61.6328 33.0730 174.7856 108 V 4.8501 9.3995 128.5049 60.9445 34.9172 174.2701 109 K 4.6289 9.1342 129.5023 55.1642 33.0307 175.6866 110 S 4.8284 9.0506 123.9839 58.0026 63.2724 175.2722 111 S 4.3153 8.7685 120.4186 60.4925 62.9854 175.1270 112 T 4.1279 7.8860 110.6643 61.7715 68.9006 174.4804 113 G 4.0647 7.8131 114.7917 45.7478 0.0000 173.2265 114 P 4.4419 0.0000 0.0000 61.8558 33.2276 174.1903 115 S 5.1173 7.9100 115.2920 56.7640 65.3921 173.8634 116 F 4.9634 9.2592 121.3768 55.6491 43.5697 173.4871 117 L 4.9450 8.6648 123.1734 54.0485 42.9762 175.8681 118 V 4.6647 9.1899 119.1445 59.4429 36.4403 175.0125 119 N 5.0658 8.5848 119.3537 53.0809 40.4408 174.0648 120 V 4.6704 7.9792 119.8751 61.0073 33.7684 175.5123 121 S 4.4106 8.8498 123.0670 57.8842 64.1279 174.9929 122 H 4.2772 8.2680 115.4551 57.7870 28.3134 176.4716 123 F 4.5993 7.1992 118.4072 58.8450 39.1427 175.4597 124 V 4.3536 7.5303 120.2601 60.6862 33.4541 174.4345 125 N 4.6783 8.5396 125.0918 51.6800 39.0469 173.8663 126 P 4.2678 0.0000 0.0000 65.7700 31.4790 178.0901 127 D 4.4413 8.1942 117.8647 56.5837 40.7267 176.8600 128 D 4.5453 8.1564 118.0692 55.1507 41.1658 176.0488 129 L 4.5124 7.7249 120.2934 53.2263 42.9098 175.7854 130 A 4.6625 8.1314 124.3835 49.8323 22.2022 173.4039 131 P 4.5154 0.0000 0.0000 64.5990 31.7209 177.0627 132 G 4.0077 9.2409 111.7604 44.9718 0.0000 173.8312 133 K 4.1279 8.0497 122.2701 56.5611 33.3717 176.1354 134 R 4.8256 8.5961 126.1526 55.9405 31.7004 175.8302 135 V 5.0024 9.0436 115.8761 59.9442 36.8805 173.8699 136 C 5.2144 9.2142 119.6401 58.1275 30.8647 173.0842 137 L 5.2352 8.9635 123.5314 52.5921 44.3231 175.4817 138 N 4.6871 8.7927 122.9634 53.6253 39.3593 175.9931 139 Q 4.1056 8.8960 125.2294 59.1619 29.2919 178.0860 140 Q 4.1112 8.6921 117.0000 58.4037 28.7734 177.0268 141 T 4.3123 7.8442 103.5843 60.3387 69.9981 174.3020 142 L 3.6196 8.4228 120.9998 55.6051 40.1371 174.6362 143 T 4.1237 7.2229 115.5222 63.6528 69.8803 173.8345 144 V 4.2456 8.7474 125.8364 63.2393 32.0267 176.5174 145 V 4.6000 8.6588 121.3449 61.3457 32.8932 175.2082 146 D 4.5965 7.6202 118.3441 53.4949 44.4335 174.0285 147 V 4.7385 8.4751 122.2420 61.1081 34.1554 174.5157 148 L 4.8668 8.5170 126.7755 51.9395 43.8624 174.9781 149 P 4.3937 0.0000 0.0000 63.2245 31.1692 176.1600 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 75 K 8.17 4.30 0.00 1.83 1.80 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.43 7.81 76 E 8.66 3.77 0.00 2.11 1.94 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 2.37 2.46 0.00 77 N 8.92 4.38 0.00 2.77 2.85 0.00 0.00 7.14 7.66 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 78 E 8.11 4.03 0.00 2.14 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 2.39 2.39 0.00 79 I 7.65 3.72 2.03 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 1.52 0.66 0.91 0.00 0.00 80 L 8.06 4.00 0.00 1.82 1.71 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.45 3.91 0.00 1.86 1.97 0.00 3.12 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 82 R 8.07 3.86 0.00 2.00 2.09 0.00 3.13 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 83 E 8.30 3.99 0.00 2.07 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 2.34 2.56 0.00 84 L 8.00 4.09 0.00 1.67 1.89 0.92 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.43 4.52 0.00 2.91 2.75 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 86 R 7.74 4.34 0.00 1.83 1.93 0.00 3.23 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.93 0.00 *88 R 8.03 4.35 0.00 1.82 2.03 0.00 3.21 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.76 0.00 89 V 7.34 3.75 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 0.73 0.00 0.00 0.96 0.00 0.00 90 P 0.00 4.41 0.00 2.17 2.05 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 91 P 0.00 4.57 0.00 2.20 2.09 0.00 3.85 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.98 0.00 92 L 8.02 4.85 0.00 1.54 1.61 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 93 I 8.38 4.11 1.85 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 1.11 0.66 0.93 0.00 0.00 94 V 8.44 4.49 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 1.02 0.00 0.00 0.94 0.00 0.00 95 G 9.10 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.91 5.20 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 1.26 0.00 0.00 97 V 8.98 3.87 2.27 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 0.77 0.00 0.00 0.99 0.00 0.00 98 V 8.88 3.97 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 0.78 0.00 0.00 0.96 0.00 0.00 99 D 7.67 4.70 0.00 2.80 2.43 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 0.00 100 K 8.66 4.53 0.00 1.76 1.70 0.00 1.99 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.42 7.81 101 V 8.53 4.10 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 0.82 0.00 0.00 0.97 0.00 0.00 102 G 7.48 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 0.00 0.00 0.00 0.00 103 E 8.88 4.15 0.00 1.97 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 2.31 2.34 0.00 104 R 7.77 4.82 0.00 1.62 1.85 0.00 3.13 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 105 K 8.14 4.93 0.00 1.65 1.64 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.44 7.81 106 V 8.60 4.88 2.10 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 0.77 0.00 0.00 1.00 0.00 0.00 107 V 8.98 4.61 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 0.94 0.00 0.00 0.94 0.00 0.00 108 V 9.40 4.85 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.97 0.00 0.00 109 K 9.13 4.63 0.00 1.88 1.84 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.44 7.81 110 S 9.05 4.83 0.00 4.26 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.77 4.32 0.00 4.06 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 0.00 112 T 7.89 4.13 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 1.25 0.00 0.00 113 G 7.81 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 0.00 114 P 0.00 4.44 0.00 1.37 2.01 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.08 0.00 115 S 7.91 5.12 0.00 3.59 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 0.00 116 F 9.26 4.96 0.00 2.94 2.90 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 0.00 0.00 0.00 117 L 8.66 4.95 0.00 1.66 1.62 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 118 V 9.19 4.66 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 1.01 0.00 0.00 119 N 8.58 5.07 0.00 2.61 2.70 0.00 0.00 6.23 7.68 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 0.00 120 V 7.98 4.67 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 0.84 0.00 0.00 0.96 0.00 0.00 121 S 8.85 4.41 0.00 3.48 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 0.00 122 H 8.27 4.28 0.00 3.13 3.33 0.00 5.54 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 0.00 123 F 7.20 4.60 0.00 3.07 3.04 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 0.00 0.00 0.00 124 V 7.53 4.35 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 0.79 0.00 0.00 1.04 0.00 0.00 125 N 8.54 4.68 0.00 2.78 2.93 0.00 0.00 6.90 7.71 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 0.00 126 P 0.00 4.27 0.00 2.38 2.30 0.00 3.76 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 127 D 8.19 4.44 0.00 2.81 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 0.00 128 D 8.16 4.55 0.00 2.86 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 0.00 129 L 7.72 4.51 0.00 1.73 1.61 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.13 4.66 1.21 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 0.00 131 P 0.00 4.52 0.00 2.05 2.16 0.00 3.68 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 2.04 2.11 0.00 132 G 9.24 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 133 K 8.05 4.13 0.00 2.06 1.70 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.48 7.81 134 R 8.60 4.83 0.00 1.78 1.84 0.00 3.37 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 135 V 9.04 5.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 1.02 0.00 0.00 136 C 9.21 5.21 0.00 2.82 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.96 5.24 0.00 1.48 1.48 0.91 0.50 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 0.00 138 N 8.79 4.69 0.00 2.83 2.69 0.00 0.00 6.92 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Q 8.90 4.11 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 140 Q 8.69 4.11 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 141 T 7.84 4.31 4.20 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 0.00 0.00 1.19 0.00 0.00 142 L 8.42 3.62 0.00 1.56 1.55 -0.43 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 143 T 7.22 4.12 4.23 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 1.19 0.00 0.00 144 V 8.75 4.25 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 0.96 0.00 0.00 0.95 0.00 0.00 145 V 8.66 4.60 2.31 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 0.87 0.00 0.00 1.05 0.00 0.00 146 D 7.62 4.60 0.00 2.69 2.45 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 0.00 147 V 8.48 4.74 2.10 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 0.92 0.00 0.00 0.95 0.00 0.00 148 L 8.52 4.87 0.00 1.55 1.56 0.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 4.39 0.00 2.17 2.04 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 * Residues marked with a * may have inaccurate shift predictions.