NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 K 4.3728 8.1733 120.0053 57.0345 34.8508 177.8526 9 T 3.7324 8.0495 116.0530 65.8000 68.7218 173.8481 10 Y 4.0841 8.9377 122.5711 60.6050 40.4326 175.9821 11 E 4.2723 8.5931 118.9938 59.7890 29.7697 179.7085 12 E 4.1855 8.3357 115.6038 56.9165 28.4655 178.9491 *14 V 3.6795 7.8787 121.1618 62.8278 33.5319 177.5946 15 K 4.0840 7.8187 118.6188 58.9695 31.9897 178.8173 16 E 3.8993 8.9526 120.8280 59.2395 29.5091 179.0461 17 V 3.5257 7.6560 117.6902 66.0437 31.6606 177.5038 18 E 3.9111 7.8350 118.0048 59.0460 29.4776 178.6358 19 R 3.8242 8.5279 119.0613 59.6320 30.2560 178.5653 20 L 4.0131 8.4536 118.9739 57.7525 41.4188 179.7559 21 K 4.2310 8.1980 118.4669 59.0520 31.7474 179.5036 22 L 4.0192 7.7900 119.6288 57.5277 41.5446 178.8651 23 E 3.8884 8.2958 119.1669 59.3595 29.6372 178.1888 24 N 4.1960 8.5843 116.9048 56.4359 38.6092 176.9769 25 K 3.8508 7.7114 120.4289 60.0414 32.2298 178.7702 26 T 3.8491 7.6365 115.8064 66.6829 68.4860 176.5294 27 L 3.9756 8.2362 121.0911 57.8468 41.4184 179.7766 28 K 4.0083 8.1815 117.8234 59.2729 32.2055 179.0083 29 Q 4.0814 8.2454 120.0847 59.2862 28.9689 178.4014 30 K 3.9554 8.2849 119.6512 59.4621 31.7790 179.4879 31 V 3.6367 7.4603 117.6799 65.4744 31.4541 177.9026 32 K 4.1393 7.9172 118.2695 59.3201 33.7186 178.0815 33 S 4.4941 7.4896 117.7339 56.1908 61.3312 174.2690 34 S 5.4559 7.7271 125.0039 59.3430 61.7513 176.8199 *42 S 4.2084 7.3479 117.5885 57.9201 63.7279 173.4617 43 I 3.5900 8.3887 123.6419 62.0079 37.2946 175.3658 44 L 4.2338 8.3989 127.1126 54.7141 43.0042 176.7651 45 T 4.4233 8.2245 115.8934 60.8560 71.7223 174.6397 46 A 3.8626 8.7009 122.3189 56.4942 18.3722 180.0152 47 A 4.0081 7.8631 117.3247 54.4385 18.5673 179.7085 48 K 3.8374 7.6199 117.5024 59.7225 32.2860 178.8324 49 R 3.8496 8.0126 118.9127 59.5056 30.0049 177.6991 50 E 3.8985 7.9571 118.6226 59.7297 29.3724 178.9539 51 S 4.1359 8.0031 112.3992 61.2430 62.3410 176.2498 52 I 3.7753 7.6394 122.3514 64.1860 36.8527 178.3076 53 I 3.7666 8.0562 121.0585 64.5883 37.1210 178.7224 54 V 3.5236 7.8667 118.8735 65.8035 31.3680 178.0801 55 S 4.0363 7.8589 113.1095 61.5019 62.3914 176.1571 56 S 4.1374 8.7565 118.7178 61.8604 62.5268 176.9900 57 S 4.1558 8.6766 118.1022 61.7443 62.5171 177.0636 58 R 3.9138 8.0257 120.2845 58.9048 29.8275 178.9818 59 A 3.9464 7.8996 120.2874 55.3238 18.4179 179.5732 60 L 4.0535 8.0314 117.5755 57.8278 41.4041 180.0767 61 G 3.5742 8.1428 104.8753 47.9722 0.0000 175.1584 62 A 4.1132 8.1397 123.0670 54.6960 18.4601 179.7033 63 V 3.7407 7.6994 116.2944 65.7849 31.7462 179.5105 64 A 4.3338 8.0331 120.1910 52.1677 17.8577 179.2732 *66 R 4.1808 8.0535 123.2984 57.6279 32.0028 177.3297 67 K 3.8729 7.7859 116.5366 58.9049 32.7599 179.2912 68 I 3.6539 7.6454 121.5468 64.4679 37.1103 177.7748 69 E 3.9074 8.2923 119.2914 59.1835 29.3315 178.6706 70 A 4.0056 7.4705 120.6762 55.0524 18.2614 179.8049 71 K 3.9747 7.9677 116.1340 59.2807 32.3811 179.6904 72 V 3.6993 8.1386 118.9818 66.0183 31.6404 177.9241 73 R 3.8607 7.9462 118.4563 59.7199 29.6696 178.4121 74 S 4.1435 7.8562 111.4509 61.0333 62.4773 175.4860 75 R 4.2955 7.7365 118.1350 56.7654 30.1175 176.9196 76 A 4.5954 7.3846 120.1665 52.7319 19.8045 178.3608 77 A 4.0782 8.0210 124.5102 55.9523 19.0968 180.4099 78 K 3.9965 7.8823 116.6305 57.5876 32.6737 177.2394 79 A 4.4924 7.6992 123.3687 51.7681 18.6497 177.6364 80 V 4.4093 8.3051 113.5377 60.0173 33.7624 176.2222 81 T 4.6795 7.5377 109.4018 59.6522 72.8251 174.6983 82 E 4.0819 8.4821 120.4114 59.3344 29.5757 179.4857 83 Q 4.0539 7.9936 117.9029 58.6327 28.9206 177.8132 84 E 3.9700 8.0880 120.0751 59.1116 29.6511 178.4643 85 L 4.1393 7.6947 119.0823 57.5379 41.9326 179.0791 86 T 3.8617 7.4274 114.9282 66.5364 68.7736 176.1533 87 S 4.2121 8.5368 115.3303 61.5179 61.2932 175.7569 88 L 3.9493 7.8479 122.7038 58.2821 41.6164 178.3075 89 L 3.9985 7.7977 115.1399 55.1222 41.8056 178.2120 90 Q 4.2366 7.7871 120.9530 58.5946 29.0646 177.4623 91 S 4.6683 7.4934 109.9713 57.3733 64.0146 173.2103 92 L 3.9040 7.1830 122.1174 56.7516 42.1011 176.6373 93 T 4.7840 8.2484 120.4651 61.7515 72.1518 173.2822 94 L 4.7767 8.1810 122.8902 52.9732 45.6191 175.7863 95 R 4.5493 8.5120 122.4128 54.5792 31.3866 175.8977 96 V 4.4793 8.1582 123.6501 59.8995 34.2894 174.1690 97 D 4.9896 8.7110 122.9355 52.4528 42.9958 175.9672 98 V 4.6834 8.2571 116.2788 59.6295 35.8953 175.0048 99 S 4.5961 10.0109 121.0705 57.8527 63.0873 175.1614 *101 E 4.2800 8.7451 116.0719 55.7146 31.3052 175.4677 102 E 4.2187 8.1848 123.3945 56.4203 29.6085 175.8886 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 8 K 8.17 4.37 0.00 1.97 2.16 0.00 1.48 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.49 7.81 9 T 8.05 3.73 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 1.23 0.00 0.00 10 Y 8.94 4.08 0.00 2.96 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 11 E 8.59 4.27 0.00 2.29 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 2.47 2.42 0.00 12 E 8.34 4.19 0.00 2.18 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 2.62 2.40 0.00 *14 V 7.88 3.68 2.32 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 1.04 0.00 0.00 1.01 0.00 0.00 15 K 7.82 4.08 0.00 1.99 1.83 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.72 7.81 16 E 8.95 3.90 0.00 2.05 1.90 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 2.28 2.34 0.00 17 V 7.66 3.53 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 0.95 0.00 0.00 0.86 0.00 0.00 18 E 7.83 3.91 0.00 2.27 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 2.30 2.35 0.00 19 R 8.53 3.82 0.00 2.07 2.01 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 20 L 8.45 4.01 0.00 1.71 1.69 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.20 4.23 0.00 2.02 1.85 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.55 7.81 22 L 7.79 4.02 0.00 1.98 1.70 1.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.30 3.89 0.00 2.03 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 0.00 2.30 2.35 0.00 24 N 8.58 4.20 0.00 2.93 2.88 0.00 0.00 6.75 7.55 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 25 K 7.71 3.85 0.00 1.94 1.93 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 26 T 7.64 3.85 4.36 0.00 0.00 0.00 0.00 0.00 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 27 L 8.24 3.98 0.00 2.01 1.71 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.18 4.01 0.00 1.91 1.87 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.59 7.81 29 Q 8.25 4.08 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 30 K 8.28 3.96 0.00 1.82 1.85 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.45 7.81 31 V 7.46 3.64 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 0.85 0.00 0.00 0.98 0.00 0.00 32 K 7.92 4.14 0.00 1.95 1.93 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.83 1.47 7.81 33 S 7.49 4.49 0.00 3.98 3.88 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 34 S 7.73 5.46 0.00 4.08 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 *42 S 7.35 4.21 0.00 3.91 3.88 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 43 I 8.39 3.59 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 1.30 0.46 0.91 0.00 0.00 44 L 8.40 4.23 0.00 1.58 1.56 0.92 0.98 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 45 T 8.22 4.42 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 46 A 8.70 3.86 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 47 A 7.86 4.01 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 48 K 7.62 3.84 0.00 1.97 2.03 0.00 1.54 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.49 7.81 49 R 8.01 3.85 0.00 1.92 2.04 0.00 3.17 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 50 E 7.96 3.90 0.00 2.10 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 0.00 2.31 2.38 0.00 51 S 8.00 4.14 0.00 3.96 3.99 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 52 I 7.64 3.78 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 0.75 0.91 0.00 0.00 53 I 8.06 3.77 1.92 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 1.64 1.10 0.91 0.00 0.00 54 V 7.87 3.52 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 0.99 0.00 0.00 0.97 0.00 0.00 55 S 7.86 4.04 0.00 4.00 4.03 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 56 S 8.76 4.14 0.00 3.85 3.90 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 57 S 8.68 4.16 0.00 3.88 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.03 3.91 0.00 2.05 1.98 0.00 3.13 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 59 A 7.90 3.95 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 60 L 8.03 4.05 0.00 1.86 1.74 0.92 0.74 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 61 G 8.14 3.57 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 0.00 62 A 8.14 4.11 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 63 V 7.70 3.74 2.23 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 1.00 0.00 0.00 0.93 0.00 0.00 64 A 8.03 4.33 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 *66 R 8.05 4.18 0.00 2.09 2.08 0.00 3.17 0.00 0.00 3.39 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 67 K 7.79 3.87 0.00 2.01 2.04 0.00 1.37 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.57 1.57 7.81 68 I 7.65 3.65 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 1.41 0.80 0.91 0.00 0.00 69 E 8.29 3.91 0.00 2.03 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 2.38 2.39 0.00 70 A 7.47 4.01 1.34 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 0.00 0.00 71 K 7.97 3.97 0.00 1.84 1.88 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.69 7.81 72 V 8.14 3.70 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 0.99 0.00 0.00 0.93 0.00 0.00 73 R 7.95 3.86 0.00 2.02 1.92 0.00 3.15 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 74 S 7.86 4.14 0.00 3.93 4.03 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 75 R 7.74 4.30 0.00 2.18 1.95 0.00 3.20 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 76 A 7.38 4.60 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.02 4.08 1.34 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 0.00 0.00 78 K 7.88 4.00 0.00 1.76 1.89 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.45 7.81 79 A 7.70 4.49 1.29 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 80 V 8.31 4.41 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 0.81 0.00 0.00 0.99 0.00 0.00 81 T 7.54 4.68 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 82 E 8.48 4.08 0.00 2.03 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 2.39 2.39 0.00 83 Q 7.99 4.05 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 84 E 8.09 3.97 0.00 2.06 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 2.31 2.32 0.00 85 L 7.69 4.14 0.00 1.95 1.64 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.43 3.86 4.40 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 1.21 0.00 0.00 87 S 8.54 4.21 0.00 3.83 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 88 L 7.85 3.95 0.00 1.87 1.89 0.94 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 89 L 7.80 4.00 0.00 1.78 1.69 0.96 0.81 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 90 Q 7.79 4.24 0.00 2.40 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.30 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 91 S 7.49 4.67 0.00 3.95 3.85 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 0.00 0.00 0.00 92 L 7.18 3.90 0.00 1.94 1.65 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 93 T 8.25 4.78 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 94 L 8.18 4.78 0.00 1.56 1.50 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.51 4.55 0.00 1.76 1.82 0.00 3.18 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 96 V 8.16 4.48 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 0.82 0.00 0.00 0.93 0.00 0.00 97 D 8.71 4.99 0.00 2.65 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.26 4.68 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 0.78 0.00 0.00 0.93 0.00 0.00 99 S 10.01 4.60 0.00 3.64 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 *101 E 8.75 4.28 0.00 2.02 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 2.21 2.34 0.00 102 E 8.18 4.22 0.00 2.05 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 2.29 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.