NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 39 A 4.2813 8.2644 123.5731 51.7746 20.8780 177.0181 40 N 4.8425 7.5278 113.5689 49.8948 38.9566 171.0467 41 I 4.6334 7.1437 118.8719 60.1327 42.5676 172.8367 42 Y 4.8869 9.1785 125.6594 56.4796 43.0261 173.6127 43 K 4.9129 8.8977 123.2942 55.1875 33.4500 175.7613 44 G 4.3707 9.3605 114.8920 44.2659 0.0000 171.2540 45 K 5.1161 8.6504 123.4807 54.1802 34.9488 175.3108 46 I 4.3829 8.6808 129.1062 61.8589 37.3675 176.5789 47 T 4.2668 8.7651 118.1555 63.3770 70.3554 175.3359 48 R 4.7626 7.8201 120.0995 54.8297 33.8890 173.6458 49 I 4.7433 8.4538 125.4073 59.5661 40.0325 174.8144 50 E 4.4978 9.3581 129.2234 53.5753 30.3585 174.2471 51 P 4.2952 0.0000 0.0000 65.5308 31.3035 178.3091 52 S 4.3089 8.3844 111.1591 60.2839 63.1435 175.1730 53 L 4.5519 7.7939 120.3556 53.2673 43.4402 175.6363 54 E 3.7230 8.1628 118.8376 56.4287 27.7917 173.2699 55 A 4.7748 7.1336 117.7013 50.7787 23.3985 176.3567 56 A 5.0115 8.4592 120.6265 50.1336 22.8153 175.3817 57 F 5.0394 9.2281 118.5184 56.0605 41.8286 175.4338 58 V 4.7289 8.6425 121.4976 61.2408 34.8878 173.7989 59 D 4.8840 8.9934 128.8786 53.4395 41.6338 175.5934 60 Y 4.9826 8.0182 123.2909 56.8272 38.3449 176.2777 61 G 3.8598 7.8535 108.6049 45.8704 0.0000 174.6450 62 A 4.2983 6.4510 121.6725 50.7558 20.1582 177.2841 63 E 4.0016 8.5651 119.4320 59.4149 29.7216 178.4923 64 R 4.0740 7.7452 117.8464 55.9002 30.5475 176.1445 65 H 4.6047 8.8318 120.7102 56.1941 30.1775 175.4691 66 G 4.2942 9.7525 109.6331 45.9143 0.0000 172.0583 67 F 4.8124 9.1185 123.3184 56.1016 41.6068 174.0977 68 L 4.6281 8.0494 129.4359 52.2354 43.5987 173.9981 69 P 4.3940 0.0000 0.0000 61.4558 32.6506 177.3062 70 L 3.8769 8.4958 122.3054 58.1844 42.0013 179.6187 71 K 4.1903 8.0736 115.9636 59.1536 32.7744 177.0884 72 E 4.8017 8.3734 118.7921 56.0578 29.5696 174.7607 73 I 4.2814 7.6012 120.8117 59.1987 38.6259 175.8188 74 A 4.3016 8.5073 129.4009 51.5938 19.0704 178.5042 75 R 3.8909 8.5159 116.2359 58.5172 29.7683 178.8084 76 E 3.9178 8.1179 117.5329 58.9973 29.4420 177.1327 77 Y 4.4412 7.8099 114.5186 58.4173 38.5385 175.9725 78 F 4.3260 8.1061 119.2385 56.1259 39.7686 173.5671 79 P 4.5215 0.0000 0.0000 62.2934 32.0746 177.8814 80 A 4.2072 8.2787 124.2228 51.1615 17.3195 175.7106 *88 P 4.1979 0.0000 0.0000 63.9786 32.8941 175.4373 89 N 4.9348 7.9682 115.2267 51.5023 40.8096 176.1831 90 I 3.5473 8.7889 119.8459 64.3280 37.5542 178.0214 91 K 3.9744 7.8618 119.2298 59.2915 32.1728 178.0237 92 D 4.4419 7.7963 117.7972 56.1023 40.8021 178.2607 93 V 3.6962 7.2795 117.5343 63.6102 32.3026 175.5405 94 L 4.9512 6.9935 116.1816 52.8955 44.4015 175.8334 95 R 4.6907 8.4346 115.2718 54.1076 32.5444 174.6452 96 E 4.2162 8.6084 119.0346 58.3696 29.9170 177.2954 97 G 4.0440 9.0406 111.6199 45.3776 0.0000 173.9298 98 Q 4.2452 7.7040 120.2823 56.1431 30.3119 174.6896 99 E 5.2847 8.6896 123.1814 54.8521 32.1001 175.7216 100 V 4.6065 8.7400 115.6663 59.6513 36.4538 174.5326 101 I 4.8598 8.5596 124.2012 60.4106 38.5459 175.4636 102 V 5.0874 8.8582 119.8946 59.5221 36.2516 174.5184 103 Q 5.1015 8.7741 119.6230 54.4203 32.4740 174.1926 104 I 4.4102 9.1849 121.7008 61.1130 37.2280 175.6833 105 D 4.7211 9.2542 127.6683 55.4032 42.3466 177.4176 106 K 4.6786 7.7199 116.8706 54.1662 35.8647 176.4065 107 E 4.5042 8.9225 123.8298 55.9027 30.5541 176.4411 108 E 4.3587 8.6814 120.5357 57.4394 30.1232 177.1520 109 R 4.6237 8.9363 118.4650 55.8990 33.5280 176.2290 110 G 4.2497 8.2443 109.0836 47.4300 0.0000 173.5278 111 N 4.8257 8.7894 120.6610 52.3050 37.5930 174.5552 112 K 4.4851 8.2642 119.1571 54.9783 33.7397 176.5240 113 G 4.3328 8.7872 109.6273 45.3515 0.0000 172.7079 114 A 4.4910 8.6763 121.1803 51.8396 19.9426 176.6344 115 A 4.7133 8.8759 123.8403 51.6716 19.5902 176.9375 116 L 5.0431 8.8023 123.2627 53.5577 44.5363 175.9424 117 T 4.7677 8.4739 114.4827 60.9241 70.9940 174.2296 118 T 4.6094 8.2987 115.3116 61.5884 69.7632 175.8312 119 F 4.6037 7.8861 122.2915 56.5728 37.4761 174.2158 120 I 4.1193 7.8333 124.8117 60.6986 37.8979 176.2269 121 S 4.3773 9.3438 122.2965 58.1119 62.7274 173.8913 122 L 4.6645 8.2942 125.0193 52.2228 44.2771 176.5314 123 A 3.9343 8.6047 126.9779 53.8496 18.7515 177.3074 124 G 3.9352 8.9162 109.6782 44.5409 0.0000 173.7442 125 S 4.4982 7.8279 119.1230 59.0315 62.3645 176.9512 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 39 A 8.26 4.28 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 40 N 7.53 4.84 0.00 2.74 2.69 0.00 0.00 6.80 7.06 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 41 I 7.14 4.63 1.80 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 1.30 0.65 0.76 0.00 0.00 42 Y 9.18 4.89 0.00 2.98 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 43 K 8.90 4.91 0.00 1.82 1.78 0.00 1.75 0.00 0.00 2.01 0.00 0.00 2.75 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.48 7.81 44 G 9.36 4.37 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 0.00 45 K 8.65 5.12 0.00 1.84 1.64 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.54 7.81 46 I 8.68 4.38 2.03 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.71 0.88 0.00 0.00 47 T 8.77 4.27 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 1.18 0.00 0.00 48 R 7.82 4.76 0.00 1.93 1.92 0.00 3.11 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 49 I 8.45 4.74 1.88 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 1.19 0.80 0.89 0.00 0.00 50 E 9.36 4.50 0.00 2.27 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 2.37 2.41 0.00 51 P 0.00 4.30 0.00 2.21 2.10 0.00 3.68 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 2.13 2.16 0.00 52 S 8.38 4.31 0.00 4.05 4.04 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 53 L 7.79 4.55 0.00 1.80 1.96 1.24 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.16 3.72 0.00 2.12 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 2.42 2.39 0.00 55 A 7.13 4.77 0.57 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 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.46 5.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 9.23 5.04 0.00 3.05 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 58 V 8.64 4.73 2.13 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 0.82 0.00 0.00 0.82 0.00 0.00 59 D 8.99 4.88 0.00 2.53 2.47 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 0.00 0.00 0.00 0.00 60 Y 8.02 4.98 0.00 3.05 2.92 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 61 G 7.85 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 0.00 0.00 0.00 62 A 6.45 4.30 0.77 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 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.57 4.00 0.00 1.93 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 2.28 2.29 0.00 64 R 7.75 4.07 0.00 1.99 1.94 0.00 3.38 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 65 H 8.83 4.60 0.00 3.27 3.52 0.00 5.63 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 66 G 9.75 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 F 9.12 4.81 0.00 3.03 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 68 L 8.05 4.63 0.00 1.49 1.31 0.81 0.37 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 69 P 0.00 4.39 0.00 2.17 1.97 0.00 3.57 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.94 0.00 70 L 8.50 3.88 0.00 1.77 1.72 0.85 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.07 4.19 0.00 1.96 1.98 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.52 7.81 72 E 8.37 4.80 0.00 2.10 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 2.29 2.55 0.00 73 I 7.60 4.28 2.12 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.63 0.97 0.00 0.00 74 A 8.51 4.30 1.18 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 75 R 8.52 3.89 0.00 1.79 1.96 0.00 2.90 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 76 E 8.12 3.92 0.00 1.52 1.66 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 0.00 2.16 2.29 0.00 77 Y 7.81 4.44 0.00 3.19 2.99 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 0.00 0.00 0.00 78 F 8.11 4.33 0.00 3.18 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 79 P 0.00 4.52 0.00 2.19 2.03 0.00 3.86 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 2.03 2.04 0.00 80 A 8.28 4.21 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 *88 P 0.00 4.20 0.00 2.20 2.14 0.00 3.88 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 2.14 2.13 0.00 89 N 7.97 4.93 0.00 2.79 2.84 0.00 0.00 6.94 6.89 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 90 I 8.79 3.55 1.79 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.11 0.87 0.00 0.00 91 K 7.86 3.97 0.00 1.77 1.80 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.51 7.81 92 D 7.80 4.44 0.00 2.79 2.66 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 0.00 0.00 0.00 0.00 93 V 7.28 3.70 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 0.37 0.00 0.00 0.13 0.00 0.00 94 L 6.99 4.95 0.00 1.56 1.46 0.74 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.43 4.69 0.00 1.95 1.94 0.00 2.79 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 96 E 8.61 4.22 0.00 1.98 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 2.43 2.33 0.00 97 G 9.04 4.04 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 0.00 0.00 0.00 98 Q 7.70 4.25 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 99 E 8.69 5.28 0.00 1.91 1.87 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 2.36 2.32 0.00 100 V 8.74 4.61 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.83 0.00 0.00 101 I 8.56 4.86 1.97 0.00 0.00 0.91 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 1.44 0.95 0.00 0.00 102 V 8.86 5.09 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 0.68 0.00 0.00 0.89 0.00 0.00 103 Q 8.77 5.10 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.93 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 104 I 9.18 4.41 2.02 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.27 1.00 0.00 0.00 105 D 9.25 4.72 0.00 2.65 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 0.00 106 K 7.72 4.68 0.00 1.67 1.66 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.46 7.81 107 E 8.92 4.50 0.00 1.87 1.93 0.00 0.00 0.00 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 2.32 0.00 108 E 8.68 4.36 0.00 1.88 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 2.39 2.41 0.00 109 R 8.94 4.62 0.00 1.91 1.98 0.00 2.92 0.00 0.00 3.40 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 110 G 8.24 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 0.00 0.00 0.00 0.00 111 N 8.79 4.83 0.00 2.82 2.89 0.00 0.00 5.80 7.13 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 0.00 112 K 8.26 4.49 0.00 1.89 1.71 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.41 7.81 113 G 8.79 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 0.00 0.00 0.00 0.00 114 A 8.68 4.49 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 0.00 115 A 8.88 4.71 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.80 5.04 0.00 1.43 1.41 0.71 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.47 4.77 4.44 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 1.39 0.00 0.00 118 T 8.30 4.61 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 0.81 0.00 0.00 119 F 7.89 4.60 0.00 3.15 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 0.00 120 I 7.83 4.12 1.91 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 1.60 0.76 0.98 0.00 0.00 121 S 9.34 4.38 0.00 3.84 3.84 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 0.00 122 L 8.29 4.66 0.00 1.59 1.55 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.60 3.93 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 0.00 124 G 8.92 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 0.00 125 S 7.83 4.50 0.00 4.04 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 * Residues marked with a * may have inaccurate shift predictions.