NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5333 8.3349 115.5503 58.4320 64.9927 172.1932 3 D 4.6875 8.5519 120.1963 52.6344 42.7945 174.5128 4 T 4.6186 8.5892 120.3702 62.4578 70.1050 173.4512 5 L 4.6761 8.3003 129.4407 53.5896 44.2505 174.4984 6 Y 4.9492 9.0860 125.0985 56.8741 39.8559 174.5988 7 I 4.9245 8.8862 125.4159 59.4498 40.1035 174.6365 8 K 4.8910 8.6906 128.1462 54.5920 35.4558 174.5680 *10 D 4.6028 8.4579 123.1455 54.1458 41.8875 175.4769 11 Q 4.2409 8.7435 121.8644 59.1228 29.8175 176.0034 12 A 5.2898 7.7168 117.3494 50.6218 21.9711 175.4528 13 V 4.4273 8.9940 119.0382 60.1401 35.6395 173.8671 14 E 4.4583 8.7465 122.8112 54.7779 31.5070 174.6122 15 I 4.5318 7.8252 127.4396 59.7679 39.4152 176.8064 16 T 4.0754 8.5443 115.8577 62.7748 70.3021 174.8596 17 K 4.1890 7.8604 120.2468 55.7774 32.5392 176.8443 18 K 4.0657 8.4570 118.9213 59.3195 32.9040 177.0129 19 Q 4.7438 7.7073 117.6861 53.5583 31.5235 173.8784 20 V 4.6012 8.4747 119.8232 61.5058 33.9896 174.4854 21 T 4.8305 9.7742 122.8870 60.0065 70.3765 174.9775 22 V 3.5948 8.6824 124.7774 66.1058 31.5199 178.5583 23 G 3.7444 7.8831 106.8734 47.6384 0.0000 174.3065 24 D 4.5197 8.0807 119.1554 56.1084 40.9795 177.1908 25 V 4.3148 7.5710 115.2889 62.2417 33.7540 174.7481 26 A 4.9456 8.1238 120.0599 50.0620 22.9260 175.2448 27 K 4.5634 8.8611 121.5822 55.7082 34.1391 175.6401 28 L 5.3890 8.2514 123.7031 53.4511 45.9324 175.8012 29 Q 4.6606 8.6734 119.8284 54.8741 33.7179 173.5729 30 C 4.9354 8.7692 119.7440 58.8678 33.9877 173.3181 31 K 3.8921 9.3493 126.8430 59.6918 32.0836 176.5853 32 N 4.5534 7.9412 119.9573 52.5729 37.8736 175.2219 33 K 4.2546 8.2811 127.1413 58.0329 32.2151 178.6838 34 N 4.4406 8.4820 117.5028 55.9354 38.3951 177.4727 35 I 3.3650 7.6918 121.2732 64.2753 37.3057 178.4220 36 T 3.8177 7.8012 110.0094 65.1572 68.4203 175.7638 37 N 4.2818 7.7051 118.6863 55.8440 38.4021 176.9762 38 R 4.0958 7.9420 119.1852 59.3472 30.1175 177.9084 39 L 4.0799 8.0672 118.6138 58.3815 42.4524 178.5006 40 K 4.4414 8.3223 119.7496 58.8291 32.1743 176.1645 41 S 4.0643 7.3774 117.4146 58.0973 61.8300 173.7323 *43 K 4.0819 8.2607 124.1551 56.3688 33.0368 175.8781 44 L 4.3589 8.8352 124.7309 56.1296 42.6224 176.5983 45 L 4.6240 7.2668 117.9406 54.0478 44.9266 173.5415 46 E 4.8944 8.3444 121.9701 54.5236 33.6606 176.4980 47 D 3.8910 8.1703 123.2353 57.1856 38.0022 177.1281 48 T 3.3175 6.8687 110.2938 62.9353 72.0589 174.8670 *53 K 4.5751 7.5938 121.5223 55.6199 35.0476 175.5320 54 R 4.6404 8.2959 120.3455 55.8494 30.4404 175.0930 55 Y 4.7908 8.8141 124.2394 56.1981 41.8468 174.7005 56 I 5.0886 8.2336 120.1945 59.4570 41.0428 174.2422 57 V 4.4554 9.4493 130.4212 61.1914 34.0072 174.3326 58 S 5.3304 8.4808 122.0532 55.7440 64.2589 175.5979 59 I 4.1827 8.2308 129.6311 60.4618 37.2502 177.6432 *61 K 4.2336 8.1664 121.9274 56.4793 33.9901 177.3925 62 I 3.8890 7.3216 117.4719 64.4146 37.5204 177.4789 63 I 3.8548 8.3930 121.7060 64.5782 37.1770 178.9037 64 E 3.9074 7.8080 117.3421 56.4988 28.9719 178.2586 *66 A 4.3931 8.1761 121.5495 51.8732 20.4947 179.5555 67 D 4.4579 8.1215 114.3361 57.6753 41.0200 178.3637 68 Q 4.0887 8.1056 117.2043 58.6021 28.9400 177.4743 69 T 3.9488 7.4105 112.9797 64.3058 69.3142 174.8106 70 F 5.0520 7.6283 117.9787 55.6398 41.4971 174.5147 71 Q 4.5297 8.5533 123.0174 55.7390 31.4167 175.1393 72 N 4.0658 9.9116 120.0026 54.6563 36.5168 174.3938 73 V 4.7606 7.4376 115.3079 61.2852 34.5858 174.9527 74 D 4.9617 8.8437 128.3271 52.6860 43.1209 175.5097 75 I 4.7634 8.2758 123.8420 59.9353 39.1943 175.0044 76 Q 4.4716 8.5930 125.7361 54.0720 31.0366 174.3921 77 N 4.9631 8.8083 124.1884 53.1840 38.7418 174.3284 78 I 4.1045 8.9319 128.5983 61.9702 38.1665 177.5131 79 G 4.1122 7.8738 112.2573 45.2216 0.0000 172.9921 80 E 4.3254 8.6749 125.1369 56.4956 30.4632 176.1523 81 T 4.6276 8.3163 107.9265 61.7964 71.4243 173.7105 82 E 5.1743 8.0265 121.3205 54.7589 34.1359 173.7720 83 C 5.1693 9.6175 124.1747 57.5808 35.3362 172.7893 84 V 4.6224 8.6358 126.1932 61.9093 32.4900 174.8738 85 V 4.4037 8.7045 130.1971 61.2085 32.7067 173.3287 86 E 4.5632 8.2916 128.1553 55.0322 31.3496 174.9242 87 F 4.7593 8.5593 125.8471 55.8487 39.4368 175.8066 88 K 4.3082 7.9525 122.6158 55.7872 32.7221 178.1620 89 T 3.8593 8.5562 116.6734 64.0406 67.5373 171.2148 90 P 3.9255 0.0000 0.0000 63.3511 30.8842 175.9446 91 K 4.8732 8.0181 121.6366 56.2818 31.6708 175.0310 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 2 S 8.33 4.53 0.00 3.97 3.94 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 3 D 8.55 4.69 0.00 2.51 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.59 4.62 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 5 L 8.30 4.68 0.00 1.62 1.39 0.95 0.52 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 6 Y 9.09 4.95 0.00 2.88 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 7 I 8.89 4.92 1.89 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 1.13 0.87 0.94 0.00 0.00 8 K 8.69 4.89 0.00 1.84 1.63 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.39 7.81 *10 D 8.46 4.60 0.00 2.62 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.74 4.24 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 12 A 7.72 5.29 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.99 4.43 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 0.62 0.00 0.00 0.97 0.00 0.00 14 E 8.75 4.46 0.00 1.90 1.85 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 2.15 2.32 0.00 15 I 7.83 4.53 1.50 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.00 1.04 0.00 0.00 16 T 8.54 4.08 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 17 K 7.86 4.19 0.00 1.80 1.86 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.45 7.81 18 K 8.46 4.07 0.00 1.84 1.89 0.00 1.55 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.37 7.81 19 Q 7.71 4.74 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.73 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 20 V 8.47 4.60 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 1.02 0.00 0.00 0.99 0.00 0.00 21 T 9.77 4.83 4.32 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 1.38 0.00 0.00 22 V 8.68 3.59 2.30 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 0.96 0.00 0.00 0.97 0.00 0.00 23 G 7.88 3.74 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 0.00 0.00 0.00 24 D 8.08 4.52 0.00 2.89 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 25 V 7.57 4.31 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 0.82 0.00 0.00 0.95 0.00 0.00 26 A 8.12 4.95 1.25 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 0.00 0.00 27 K 8.86 4.56 0.00 2.02 1.68 0.00 1.47 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.46 7.81 28 L 8.25 5.39 0.00 1.52 1.50 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 8.67 4.66 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 30 C 8.77 4.94 0.00 2.89 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 31 K 9.35 3.89 0.00 1.79 1.91 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.53 7.81 32 N 7.94 4.55 0.00 2.85 2.66 0.00 0.00 7.17 5.97 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 33 K 8.28 4.25 0.00 1.83 1.84 0.00 1.99 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.38 7.81 34 N 8.48 4.44 0.00 2.94 2.89 0.00 0.00 6.84 6.43 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 35 I 7.69 3.36 1.82 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 0.53 0.56 0.27 0.00 0.00 36 T 7.80 3.82 4.24 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 1.20 0.00 0.00 37 N 7.71 4.28 0.00 2.98 2.99 0.00 0.00 7.09 7.57 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 38 R 7.94 4.10 0.00 2.06 2.34 0.00 3.19 0.00 0.00 3.11 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 39 L 8.07 4.08 0.00 2.06 1.78 1.13 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.32 4.44 0.00 1.95 1.91 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.56 7.81 41 S 7.38 4.06 0.00 4.10 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *43 K 8.26 4.08 0.00 1.78 1.81 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.48 7.81 44 L 8.84 4.36 0.00 1.84 1.75 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.27 4.62 0.00 1.71 1.56 1.10 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.34 4.89 0.00 1.87 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 47 D 8.17 3.89 0.00 1.69 1.54 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 48 T 6.87 3.32 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 1.36 0.00 0.00 *53 K 7.59 4.58 0.00 1.89 2.11 0.00 1.71 0.00 0.00 2.01 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.50 1.52 7.81 54 R 8.30 4.64 0.00 1.90 1.91 0.00 3.21 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 55 Y 8.81 4.79 0.00 3.20 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 56 I 8.23 5.09 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.03 0.89 0.00 0.00 57 V 9.45 4.46 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 0.91 0.00 0.00 0.99 0.00 0.00 58 S 8.48 5.33 0.00 3.96 3.71 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 59 I 8.23 4.18 1.88 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 1.20 1.19 0.97 0.00 0.00 *61 K 8.17 4.23 0.00 1.87 2.05 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.49 7.81 62 I 7.32 3.89 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.67 0.95 0.00 0.00 63 I 8.39 3.85 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.91 0.92 0.00 0.00 64 E 7.81 3.91 0.00 2.06 2.05 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 2.30 2.26 0.00 *66 A 8.18 4.39 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.12 4.46 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 68 Q 8.11 4.09 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 69 T 7.41 3.95 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 0.76 0.00 0.00 70 F 7.63 5.05 0.00 3.05 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 71 Q 8.55 4.53 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.63 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 72 N 9.91 4.07 0.00 2.97 2.77 0.00 0.00 6.38 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 73 V 7.44 4.76 2.15 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 0.73 0.00 0.00 0.70 0.00 0.00 74 D 8.84 4.96 0.00 2.59 2.48 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 75 I 8.28 4.76 1.85 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.48 0.88 0.00 0.00 76 Q 8.59 4.47 0.00 1.64 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.92 0.00 0.00 0.00 0.00 0.00 2.03 2.17 0.00 77 N 8.81 4.96 0.00 2.74 2.76 0.00 0.00 7.21 7.94 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 78 I 8.93 4.10 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.63 0.93 0.00 0.00 79 G 7.87 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 0.00 0.00 0.00 80 E 8.67 4.33 0.00 1.98 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 0.00 2.32 2.33 0.00 81 T 8.32 4.63 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 82 E 8.03 5.17 0.00 1.85 1.82 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 2.29 2.23 0.00 83 C 9.62 5.17 0.00 2.98 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 84 V 8.64 4.62 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.98 0.00 0.00 85 V 8.70 4.40 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 0.38 0.00 0.00 0.90 0.00 0.00 86 E 8.29 4.56 0.00 2.11 1.73 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 2.30 2.32 0.00 87 F 8.56 4.76 0.00 2.95 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 88 K 7.95 4.31 0.00 1.80 1.75 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.20 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.65 1.69 7.81 89 T 8.56 3.86 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 1.23 0.00 0.00 90 P 0.00 3.93 0.00 2.09 2.08 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 91 K 8.02 4.87 0.00 1.82 2.05 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.45 7.81 * Residues marked with a * may have inaccurate shift predictions.