NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2905 8.2993 120.1339 56.1077 32.1395 175.4129 3 T 3.9456 8.0701 111.8164 60.4027 69.7900 172.7800 4 P 4.5257 0.0000 0.0000 66.0131 31.9035 180.0615 5 E 4.1465 7.5252 115.8529 58.9521 29.5128 178.0407 6 D 4.6991 7.6599 115.6204 53.6117 41.4139 176.3625 7 C 4.4200 7.2357 118.1801 60.0017 28.4657 173.7080 8 T 4.2880 8.9481 114.6458 61.1253 69.5515 174.2551 9 G 3.9424 7.1359 110.1489 44.4684 0.0000 173.7965 10 L 4.0206 7.9192 117.9496 57.5091 41.3679 179.6151 11 A 3.9835 7.9389 120.5677 55.2032 18.3500 179.2188 12 D 4.2933 8.0260 116.9019 57.4611 40.8923 178.7688 13 I 3.6890 7.5988 119.8247 64.6882 37.1241 178.7842 14 R 3.9075 8.3003 119.0321 58.9065 29.6850 178.6521 15 E 3.8845 8.1819 119.0344 59.2898 29.6534 178.8646 16 A 3.9922 7.7789 120.1805 55.3570 18.5072 179.7085 17 I 3.6931 8.0030 118.5426 64.5985 37.1168 178.4498 18 D 4.3708 8.3484 119.9562 57.2399 40.5092 178.8648 19 R 3.9010 7.8251 119.4439 59.3665 30.0344 178.6301 20 I 3.6995 7.8754 119.6489 64.6313 37.1605 178.2634 21 D 4.3491 8.2581 119.7095 57.0220 40.5968 178.6841 22 L 3.9566 8.0146 121.0925 58.0935 42.0499 178.3602 23 D 4.4032 8.3005 119.1994 57.6971 40.7589 179.1961 24 I 3.6880 8.0451 120.1486 64.4424 37.1596 178.6522 25 V 3.5870 7.8371 118.9785 66.1652 31.2815 178.0844 26 Q 4.0159 8.7148 117.9229 58.8841 28.4575 178.5644 27 A 4.0503 8.3974 122.1803 55.2132 18.4518 179.7045 28 L 4.1601 8.3593 117.8095 57.7099 41.5131 180.0568 29 G 3.6272 8.2584 105.7919 48.0064 0.0000 175.9935 30 R 4.0009 8.2611 121.2084 58.8855 30.0539 179.0599 31 R 4.1602 8.5846 118.8852 59.8360 29.9556 178.2937 32 M 4.2412 8.3821 117.5882 58.6627 32.1364 177.9147 33 D 4.2440 7.8820 119.3564 57.4484 40.9247 178.4544 34 Y 4.0226 7.9541 116.7625 61.0096 37.7116 178.3638 35 V 3.7118 7.7528 117.9004 66.2080 32.0416 177.8868 36 K 3.7761 8.3097 118.1026 59.2934 31.5435 179.1472 37 A 4.0515 7.9615 119.9773 55.1643 18.3075 179.2537 38 A 4.2362 8.0872 118.5994 54.4935 19.7222 179.3446 39 S 4.4944 7.5180 111.9021 58.1692 59.2120 173.3259 *54 V 4.0403 7.5997 125.1567 62.3499 33.3988 177.2420 55 A 3.8824 8.1057 120.1912 54.9214 18.2497 178.1944 56 A 4.2100 7.8327 116.9479 54.1989 19.1540 178.6309 57 M 4.1259 7.6340 115.0730 57.3648 32.4626 178.5019 58 L 3.8478 7.9756 119.4967 57.1776 41.8074 177.6062 59 P 4.0804 0.0000 0.0000 65.2424 31.2104 178.0823 60 E 3.3399 7.6952 117.6018 59.3455 29.4699 179.1362 61 R 3.1763 6.8350 117.1340 58.5546 30.0727 178.9156 62 A 3.9799 7.9950 121.2350 54.8422 18.3080 179.6940 63 R 3.7827 7.6612 117.2793 59.4274 30.2945 178.7065 64 W 4.4502 7.7959 118.5696 59.7412 28.9050 178.2030 65 A 4.0785 8.1766 120.6539 55.3044 17.9643 179.0024 66 E 3.8784 8.1088 117.2860 59.7521 29.4474 178.8703 67 E 4.0826 8.3303 117.7162 58.5097 29.6715 177.4753 68 N 4.9243 7.7543 113.8999 52.3986 38.9185 175.2609 69 G 3.9229 7.8806 107.7093 46.1340 0.0000 173.7378 70 L 4.7660 7.8085 118.4142 51.9548 44.5052 176.6177 71 D 4.3857 8.6762 120.2417 54.4498 41.8989 176.8497 72 A 4.0284 8.7115 129.1815 55.0969 18.6153 177.3182 73 P 4.2115 0.0000 0.0000 65.6046 31.3925 178.5700 74 F 4.2237 8.6809 119.4845 61.5008 39.3660 177.4732 75 V 3.4276 7.8466 117.2899 65.7807 31.2521 177.8451 76 E 4.1594 8.6967 119.1766 59.1565 29.2948 179.4879 77 G 3.5482 7.9529 105.8716 47.7349 0.0000 175.7223 78 L 3.7193 7.4445 121.5578 57.5172 41.5899 179.6861 79 F 4.1090 8.2496 117.2758 59.9295 38.8975 177.8358 80 A 3.9651 8.4780 121.2047 55.0342 18.2190 179.2418 81 Q 3.9977 7.9679 117.9166 59.5193 29.0522 178.7448 82 I 3.7634 7.6374 120.4569 64.5827 37.1025 178.4815 83 I 3.7299 8.2812 120.8202 64.8496 36.9571 178.2915 84 H 4.3076 8.2989 116.9780 58.4740 28.4432 177.6017 85 W 4.1172 8.4176 130.1180 60.9796 30.5796 177.7571 86 Y 4.0769 8.9252 116.7990 61.1227 37.3549 178.5132 87 T 3.8940 8.4993 116.9652 66.7625 68.6408 176.5270 88 A 3.9515 8.0782 122.5639 54.9960 18.3224 179.3267 89 E 3.7155 8.1845 118.1426 59.2610 29.5875 178.6831 90 Q 4.0927 8.2965 119.7895 59.3366 29.2208 178.5093 91 I 3.7561 7.7261 120.4282 64.3346 37.1270 178.5184 92 K 3.9945 8.0575 119.3042 59.6923 31.9117 178.7730 93 Y 4.1894 8.6951 120.0689 60.3054 38.7075 177.6968 94 W 3.9824 8.6812 129.5994 60.6473 30.6367 177.8479 95 R 4.0474 7.9999 116.6744 59.7337 29.5933 178.2280 96 Q 4.0863 8.1968 117.1498 57.9486 28.7033 177.1429 97 T 3.9921 7.0998 109.6596 62.0879 69.3457 175.2048 *98 R 3.7401 7.3006 126.2195 56.5508 29.9320 179.7781 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 K 8.30 4.29 0.00 1.76 1.81 0.00 1.94 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.44 7.81 3 T 8.07 3.95 4.39 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 1.21 0.00 0.00 4 P 0.00 4.53 0.00 2.18 2.15 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 5 E 7.53 4.15 0.00 1.96 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 2.34 2.39 0.00 6 D 7.66 4.70 0.00 2.65 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 7 C 7.24 4.42 0.00 3.17 2.87 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 8 T 8.95 4.29 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 1.21 0.00 0.00 9 G 7.14 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 0.00 0.00 0.00 10 L 7.92 4.02 0.00 1.70 1.73 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.94 3.98 1.31 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 0.00 0.00 0.00 0.00 0.00 12 D 8.03 4.29 0.00 2.89 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 13 I 7.60 3.69 2.04 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 1.73 0.90 0.91 0.00 0.00 14 R 8.30 3.91 0.00 1.88 1.97 0.00 3.25 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 1.65 1.68 0.00 15 E 8.18 3.88 0.00 2.06 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 2.31 2.33 0.00 16 A 7.78 3.99 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 17 I 8.00 3.69 1.87 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 0.83 0.91 0.00 0.00 18 D 8.35 4.37 0.00 2.87 2.71 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 19 R 7.83 3.90 0.00 2.00 2.05 0.00 3.46 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 20 I 7.88 3.70 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 1.53 0.69 0.92 0.00 0.00 21 D 8.26 4.35 0.00 2.78 2.71 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 22 L 8.01 3.96 0.00 1.85 1.84 0.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.30 4.40 0.00 2.94 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 24 I 8.05 3.69 2.01 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 1.42 0.74 0.89 0.00 0.00 25 V 7.84 3.59 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 1.03 0.00 0.00 0.94 0.00 0.00 26 Q 8.71 4.02 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 27 A 8.40 4.05 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 28 L 8.36 4.16 0.00 1.96 1.89 0.90 0.76 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 29 G 8.26 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.26 4.00 0.00 2.15 2.21 0.00 3.24 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 31 R 8.58 4.16 0.00 2.14 2.36 0.00 2.93 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 32 M 8.38 4.24 0.00 2.30 1.96 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 33 D 7.88 4.24 0.00 2.66 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 7.95 4.02 0.00 3.25 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 35 V 7.75 3.71 2.38 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 0.98 0.00 0.00 1.24 0.00 0.00 36 K 8.31 3.78 0.00 1.71 1.13 0.00 1.53 0.00 0.00 1.10 0.00 0.00 2.67 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.30 0.93 7.81 37 A 7.96 4.05 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 38 A 8.09 4.24 1.46 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 0.00 0.00 39 S 7.52 4.49 0.00 4.16 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 0.00 *54 V 7.60 4.04 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 0.95 0.00 0.00 0.92 0.00 0.00 55 A 8.11 3.88 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 56 A 7.83 4.21 1.24 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 57 M 7.63 4.13 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 58 L 7.98 3.85 0.00 1.60 1.63 0.91 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.08 0.00 2.01 1.99 0.00 3.52 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 60 E 7.70 3.34 0.00 1.62 1.12 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 1.70 2.10 0.00 61 R 6.83 3.18 0.00 1.52 1.49 0.00 2.91 0.00 0.00 2.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.64 0.00 62 A 8.00 3.98 1.30 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 0.00 0.00 0.00 63 R 7.66 3.78 0.00 1.87 1.89 0.00 3.12 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 1.67 0.00 64 W 7.80 4.45 0.00 3.56 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 65 A 8.18 4.08 1.48 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 0.00 0.00 66 E 8.11 3.88 0.00 2.27 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 0.00 2.34 2.36 0.00 67 E 8.33 4.08 0.00 2.25 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 0.00 2.36 2.40 0.00 68 N 7.75 4.92 0.00 3.04 2.86 0.00 0.00 7.05 7.40 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 69 G 7.88 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.81 4.77 0.00 1.83 1.70 1.04 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.68 4.39 0.00 2.83 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 72 A 8.71 4.03 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 73 P 0.00 4.21 0.00 2.23 2.15 0.00 4.03 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 74 F 8.68 4.22 0.00 3.13 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 75 V 7.85 3.43 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 1.24 0.00 0.00 1.14 0.00 0.00 76 E 8.70 4.16 0.00 2.21 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 2.30 2.50 0.00 77 G 7.95 3.55 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 0.00 78 L 7.44 3.72 0.00 1.46 1.23 0.60 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.25 4.11 0.00 3.06 3.03 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 0.00 0.00 0.00 80 A 8.48 3.97 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 81 Q 7.97 4.00 0.00 2.22 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 82 I 7.64 3.76 1.84 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.39 0.55 0.00 0.00 83 I 8.28 3.73 1.89 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 1.53 0.85 0.88 0.00 0.00 84 H 8.30 4.31 0.00 3.35 3.40 0.00 5.63 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 W 8.42 4.12 0.00 3.71 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.93 4.08 0.00 3.08 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 87 T 8.50 3.89 4.46 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 1.24 0.00 0.00 88 A 8.08 3.95 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 89 E 8.18 3.72 0.00 1.79 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 2.18 2.28 0.00 90 Q 8.30 4.09 0.00 2.37 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 91 I 7.73 3.76 2.01 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 1.47 1.05 0.90 0.00 0.00 92 K 8.06 3.99 0.00 2.01 1.87 0.00 1.54 0.00 0.00 1.52 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.56 7.81 93 Y 8.70 4.19 0.00 3.12 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 94 W 8.68 3.98 0.00 3.63 3.34 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 95 R 8.00 4.05 0.00 2.09 2.16 0.00 3.38 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 96 Q 8.20 4.09 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.67 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 97 T 7.10 3.99 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 0.48 0.00 0.00 *98 R 7.30 3.74 0.00 0.72 0.66 0.00 2.88 0.00 0.00 2.66 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.27 0.00 * Residues marked with a * may have inaccurate shift predictions.