NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.2383 8.2493 123.5730 51.4128 19.9592 176.1167 4 V 3.3707 7.5985 118.7442 60.5124 31.7109 174.7700 5 K 3.7451 9.0348 123.7066 57.8849 33.2110 176.2341 6 Y 3.8680 7.3326 119.3377 57.4057 37.5166 168.7424 7 Y 4.7961 8.9794 119.3175 56.4247 41.9180 175.3421 8 T 4.2153 8.5873 115.2935 61.0907 69.9185 175.0886 9 L 4.0075 9.7295 126.2089 58.3363 41.6445 178.8651 10 E 3.9066 8.3325 118.2111 59.5014 29.6911 178.1008 11 E 4.0236 8.4845 118.7332 59.4708 29.8773 178.5324 12 I 4.0422 8.1783 119.3015 65.0545 37.0142 178.2034 13 Q 4.0812 8.5034 117.3814 58.5069 28.5825 178.2615 14 K 4.3184 8.0612 117.6200 56.4987 33.4324 177.0308 15 H 4.5569 7.6345 118.2433 53.3058 28.2968 174.8070 16 N 5.0654 7.8246 126.2159 50.2505 37.5781 174.5660 17 N 4.6093 8.4936 117.6126 53.7457 40.2161 174.0651 18 S 3.9808 9.1423 111.1880 62.2906 62.5029 176.8126 19 K 4.0812 7.5803 120.1821 57.7559 32.1798 176.0637 20 S 5.1173 6.8258 114.4135 58.2916 65.2745 175.4315 21 T 4.7810 8.4998 117.6972 61.9024 70.9682 174.0365 22 W 5.9122 9.4234 127.4632 55.2221 32.0445 175.1462 23 L 4.8996 8.2019 119.8021 55.4312 43.5666 173.5839 24 I 5.1831 8.2842 119.3290 59.5262 40.5173 174.6984 25 L 4.5841 8.9851 126.8733 53.0465 44.2268 176.6713 26 H 3.6029 9.2327 123.7804 57.1720 26.4579 176.5507 27 Y 4.0616 7.7790 115.2346 58.9186 37.4584 170.2352 28 K 4.6087 7.9033 120.1972 56.0431 33.4737 176.3998 29 V 4.5363 8.4647 125.1909 62.3245 33.2176 174.2935 30 Y 4.6992 8.9148 124.7284 56.1469 41.3487 174.5534 31 D 5.0473 8.9121 121.6237 53.3286 43.3318 174.3131 32 L 4.3741 9.3713 126.3147 56.2429 43.6751 180.2012 33 T 3.2452 8.1858 108.2951 65.7981 68.6209 173.6977 34 K 4.5249 7.7636 118.5474 57.8622 33.0475 178.9056 35 F 4.8040 8.7723 121.0266 60.7967 39.5649 177.3622 36 L 3.8055 8.0136 119.6534 57.9152 41.3162 178.3884 37 E 4.1397 8.7333 118.5284 58.7459 29.5982 178.8177 38 E 4.1640 8.0388 117.5799 58.5148 30.0838 175.9515 39 H 3.8672 7.9269 119.4207 55.0370 30.2879 174.0248 40 P 4.4561 0.0000 0.0000 63.0694 32.4374 174.9763 41 G 4.1734 8.6796 110.4383 47.6509 0.0000 173.4595 42 G 4.1704 6.9693 103.1953 42.9847 0.0000 174.8017 43 E 3.9357 8.9765 118.7799 59.6117 29.5077 179.3277 44 E 4.0085 8.1145 119.3506 59.1162 29.7009 178.6662 45 H 4.2588 8.1923 117.9600 59.1357 29.8958 177.1486 46 L 4.1183 7.6638 120.9559 57.3511 41.2195 179.3341 47 R 3.8831 8.1501 118.6849 59.0220 30.1171 177.4311 48 E 4.0842 8.4751 118.7317 59.8056 28.3844 178.8452 49 Q 4.0846 7.8003 116.2160 57.9012 28.9267 176.6695 50 A 4.3143 7.2729 121.5651 53.9331 18.8057 177.6218 51 G 4.0983 9.0453 108.6763 44.4435 0.0000 174.4269 52 G 3.7252 7.3988 103.3286 47.0953 0.0000 172.2795 53 D 4.3516 7.3052 118.5065 54.0748 39.3760 175.9077 54 A 5.2138 8.8944 128.6698 50.5972 20.4204 178.2465 55 T 3.6424 8.9164 118.1356 68.1676 68.4866 176.1726 56 E 3.9202 8.0743 120.5337 59.5851 29.5485 178.3657 57 N 4.4778 8.1627 114.5217 56.2725 38.8539 176.8150 58 F 4.4142 8.6483 122.4223 61.5693 39.3819 177.1628 59 E 3.9304 8.4946 117.3463 59.1660 29.2780 178.2746 60 D 4.5702 8.2929 118.2880 56.3700 41.8996 177.8002 61 V 4.3274 7.6248 116.8331 59.8446 31.4657 176.4576 62 G 3.2411 8.1344 110.9104 47.9570 0.0000 173.7071 *63 H 4.5414 8.5558 118.8822 53.8697 30.0824 170.9523 64 S 4.3584 7.9245 115.3794 58.0880 65.3497 174.2179 65 T 3.8565 8.4803 112.2261 65.5832 68.1843 176.0090 66 D 4.3962 8.0007 121.7588 56.4267 40.9491 179.2874 67 A 4.1068 8.3684 121.1828 55.5350 18.3198 179.9466 68 R 4.0723 8.0793 115.0321 59.3561 30.1104 179.0668 69 E 4.1207 8.8886 118.9056 59.2270 29.5281 178.6123 70 L 3.8275 8.3420 121.1124 58.4353 41.9783 179.2924 71 S 4.6358 8.4882 113.9238 61.3563 62.5576 176.5229 72 K 3.8563 7.6127 121.5238 59.5721 31.7854 178.6474 73 T 3.8777 8.0730 112.7427 64.1099 67.4347 175.5136 74 F 4.8751 7.7997 118.2357 57.6581 39.7710 175.9846 75 I 3.6511 7.2674 119.4891 60.9467 37.4017 175.6285 76 I 4.2808 8.1691 116.1474 60.3040 40.7159 177.4899 77 G 4.1848 6.4160 110.1662 46.2801 0.0000 175.0609 78 E 5.2508 8.1856 124.5593 53.9090 33.2178 175.5796 79 L 4.5010 8.6911 118.6869 55.7413 40.9796 175.1994 80 H 4.2447 8.4717 122.7332 55.9180 30.3108 173.3655 81 P 4.2586 0.0000 0.0000 64.2834 31.2879 175.8483 82 D 4.7589 7.6757 118.1823 54.2689 41.1810 175.5507 83 D 4.6396 7.8313 115.2723 55.3278 45.0183 175.2162 84 R 4.0884 7.8659 121.3815 56.5602 29.9168 176.2559 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 3 A 8.25 4.24 1.27 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 0.00 0.00 4 V 7.60 3.37 1.74 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 -0.56 0.00 0.00 0.67 0.00 0.00 5 K 9.03 3.75 0.00 1.57 1.61 0.00 1.91 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.41 1.16 7.81 6 Y 7.33 3.87 0.00 3.11 2.89 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 0.00 0.00 0.00 7 Y 8.98 4.80 0.00 3.02 3.21 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 8 T 8.59 4.22 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 0.96 0.00 0.00 9 L 9.73 4.01 0.00 2.08 1.82 1.01 1.08 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 10 E 8.33 3.91 0.00 2.01 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 2.32 2.40 0.00 11 E 8.48 4.02 0.00 2.29 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 0.00 2.60 2.37 0.00 12 I 8.18 4.04 2.06 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.15 1.22 0.00 0.00 13 Q 8.50 4.08 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.94 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 14 K 8.06 4.32 0.00 1.63 1.60 0.00 1.60 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.39 7.81 15 H 7.63 4.56 0.00 2.29 2.33 0.00 5.66 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 7.82 5.07 0.00 2.76 2.91 0.00 0.00 6.27 8.22 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 17 N 8.49 4.61 0.00 2.81 2.93 0.00 0.00 6.61 8.07 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 18 S 9.14 3.98 0.00 3.84 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 19 K 7.58 4.08 0.00 1.72 1.82 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.40 1.36 7.81 20 S 6.83 5.12 0.00 4.47 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.50 4.78 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 22 W 9.42 5.91 0.00 3.31 3.02 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 23 L 8.20 4.90 0.00 1.68 1.75 0.65 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.28 5.18 2.02 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.90 1.10 0.00 0.00 25 L 8.99 4.58 0.00 1.23 0.95 -0.76 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 26 H 9.23 3.60 0.00 3.29 3.33 0.00 5.77 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.78 4.06 0.00 3.25 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 28 K 7.90 4.61 0.00 1.91 1.62 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.69 1.56 7.81 29 V 8.46 4.54 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 0.55 0.00 0.00 1.05 0.00 0.00 30 Y 8.91 4.70 0.00 3.00 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 31 D 8.91 5.05 0.00 1.89 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 0.00 0.00 0.00 0.00 32 L 9.37 4.37 0.00 1.67 1.48 0.72 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.19 3.25 4.33 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 1.27 0.00 0.00 34 K 7.76 4.52 0.00 1.95 1.95 0.00 2.03 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.46 7.81 35 F 8.77 4.80 0.00 2.79 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.01 3.81 0.00 1.79 1.72 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.73 4.14 0.00 2.15 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 2.35 2.38 0.00 38 E 8.04 4.16 0.00 2.27 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 0.00 2.45 2.60 0.00 39 H 7.93 3.87 0.00 1.40 2.46 0.00 5.59 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.46 0.00 2.09 1.98 0.00 3.46 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 41 G 8.68 4.17 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 0.00 0.00 0.00 42 G 6.97 4.17 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 0.00 0.00 0.00 43 E 8.98 3.94 0.00 2.16 2.39 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 2.36 2.35 0.00 44 E 8.11 4.01 0.00 2.00 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 2.40 2.31 0.00 45 H 8.19 4.26 0.00 3.21 3.44 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.66 4.12 0.00 1.81 1.64 0.62 0.58 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 47 R 8.15 3.88 0.00 1.90 2.11 0.00 3.51 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 48 E 8.48 4.08 0.00 2.09 2.24 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 2.34 2.53 0.00 49 Q 7.80 4.08 0.00 2.40 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.65 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 50 A 7.27 4.31 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 51 G 9.05 4.10 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 0.00 0.00 0.00 52 G 7.40 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 0.00 0.00 0.00 53 D 7.31 4.35 0.00 2.72 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 54 A 8.89 5.21 1.20 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 0.00 0.00 0.00 55 T 8.92 3.64 4.21 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 0.95 0.00 0.00 56 E 8.07 3.92 0.00 2.07 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 2.39 2.48 0.00 57 N 8.16 4.48 0.00 2.91 2.93 0.00 0.00 6.87 7.47 0.00 0.00 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 F 8.65 4.41 0.00 2.85 3.13 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 0.00 0.00 0.00 59 E 8.49 3.93 0.00 2.01 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 2.71 2.57 0.00 60 D 8.29 4.57 0.00 2.72 2.95 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 0.00 0.00 0.00 61 V 7.62 4.33 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 0.87 0.00 0.00 0.87 0.00 0.00 62 G 8.13 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 0.00 0.00 0.00 *63 H 8.56 4.54 0.00 2.69 2.89 0.00 5.87 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 7.92 4.36 0.00 4.08 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 0.00 65 T 8.48 3.86 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 1.22 0.00 0.00 66 D 8.00 4.40 0.00 2.83 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.37 4.11 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.08 4.07 0.00 2.12 2.12 0.00 3.36 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 69 E 8.89 4.12 0.00 2.11 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 2.46 2.47 0.00 70 L 8.34 3.83 0.00 1.80 1.94 0.39 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.49 4.64 0.00 4.38 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 72 K 7.61 3.86 0.00 1.69 1.87 0.00 1.68 0.00 0.00 1.62 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.66 7.81 73 T 8.07 3.88 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 0.43 0.00 0.00 74 F 7.80 4.88 0.00 3.38 2.97 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 75 I 7.27 3.65 1.79 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 -0.13 0.75 0.00 0.00 76 I 8.17 4.28 1.42 0.00 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.03 0.47 0.00 0.00 77 G 6.42 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 78 E 8.19 5.25 0.00 2.15 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 2.30 2.17 0.00 79 L 8.69 4.50 0.00 1.87 2.12 1.06 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 80 H 8.47 4.24 0.00 3.36 3.43 0.00 5.67 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.26 0.00 1.97 1.90 0.00 2.60 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.28 0.00 82 D 7.68 4.76 0.00 2.65 2.79 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 83 D 7.83 4.64 0.00 2.66 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.87 4.09 0.00 1.63 1.55 0.00 3.20 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.20 0.00 * Residues marked with a * may have inaccurate shift predictions.