NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7470 8.2085 109.7402 45.2862 0.0000 172.5431 *23 A 4.2423 8.0992 121.1092 51.9035 19.6055 176.4758 24 S 4.6005 8.3956 115.9779 57.2854 63.5157 174.2324 25 I 4.0673 8.2083 125.2973 62.5159 38.1727 176.2313 26 V 3.3488 7.7230 121.0151 62.0385 31.5544 176.1212 27 G 3.7033 7.5959 114.0639 44.6479 0.0000 170.7406 28 S 4.6390 7.4272 115.5499 56.5645 64.9967 173.6072 29 W 5.1382 8.8407 124.8233 55.0475 31.6433 175.2872 30 V 5.4224 9.2928 117.8360 59.7486 36.0446 174.0721 31 E 5.0442 9.3057 118.9041 54.1933 33.3473 173.0237 32 P 4.8129 0.0000 0.0000 62.6329 32.5758 176.3692 33 V 3.9101 8.4389 123.3407 61.6148 32.5713 173.9104 34 P 4.3702 0.0000 0.0000 64.3839 31.5599 176.8305 35 G 4.0074 8.9634 111.0608 45.3647 0.0000 173.3119 36 L 4.5981 7.2883 118.8654 53.3882 43.2412 176.8051 37 E 4.1558 8.8482 121.2393 58.8615 29.6256 178.2744 38 G 4.1113 7.9426 103.5783 44.8487 0.0000 172.8911 39 Q 4.3601 7.8735 119.0522 55.8961 30.1045 175.4310 40 V 5.1524 8.2860 114.1103 59.7013 35.6080 174.7841 41 Q 4.7852 9.7264 120.1064 54.2877 32.3570 175.4061 42 G 4.1997 7.6154 106.3306 46.4669 0.0000 171.4567 43 I 4.8748 7.8166 122.1123 59.6623 41.3642 175.7128 44 K 4.5914 8.7560 129.0668 55.0395 35.0998 174.5798 *46 E 4.5596 8.4076 118.7060 55.8002 31.1834 175.8575 47 E 4.3339 8.8661 121.0239 58.5486 29.9637 177.8906 48 G 3.8769 8.6884 111.1034 44.9050 0.0000 174.4409 49 G 3.2397 8.2125 108.2547 44.4352 0.0000 173.5073 50 V 4.2836 7.5118 119.5683 62.8271 32.1689 174.9759 51 A 5.4146 8.8289 128.8475 50.3941 22.0380 175.3863 52 S 5.0940 8.8203 113.7172 55.9745 66.9318 173.8233 53 S 4.7837 8.9031 117.4894 58.7743 63.9850 174.0580 54 V 4.0173 8.9055 123.6134 61.7676 33.0900 172.9806 55 N 4.5214 8.7015 127.1615 53.6794 34.9680 173.6141 *57 A 4.4587 7.9476 122.3771 52.3448 21.1249 178.6987 58 T 4.1210 7.9122 111.8766 65.8182 69.8331 174.7179 59 L 4.9389 7.9491 121.0065 53.0155 43.6411 176.6889 60 V 4.3116 8.8460 125.0674 61.0998 33.0460 174.2079 61 Y 4.2242 9.1121 126.2081 58.0774 38.8754 176.2615 62 E 4.7393 9.4883 121.0633 57.7460 33.0694 175.9517 63 S 5.3973 7.8162 111.4333 57.2166 66.3729 173.3273 64 W 5.9310 8.8129 117.6173 55.1416 31.4289 174.3757 65 K 4.1450 9.1115 118.8478 55.6358 35.8686 174.3227 66 Q 5.1442 8.6779 122.9620 54.5385 31.6102 174.2890 67 E 4.5929 9.0073 126.4916 55.2793 32.3063 176.4268 68 G 3.8500 8.3916 115.4230 47.3659 0.0000 173.6389 69 T 4.5445 8.5511 113.9067 60.8844 69.1025 172.9276 70 K 4.7771 8.1652 121.8914 55.5813 34.1603 175.1211 71 L 5.2367 8.4839 125.7575 53.3708 44.9403 174.6734 72 I 4.8788 9.2415 127.3362 59.6792 39.7911 174.3539 73 L 5.3881 9.2523 128.1304 53.3504 44.2573 175.6307 74 T 4.7832 8.7739 121.2803 62.2281 71.2036 174.4541 75 G 3.3182 7.4855 111.2425 45.8892 0.0000 171.9481 76 K 5.2367 8.1094 117.9098 55.4444 36.4724 175.3252 77 S 5.3769 9.2442 116.3235 56.8238 65.8798 172.8109 78 I 4.9617 9.0301 122.6654 58.7224 39.6937 175.6512 79 G 4.1605 9.1825 118.3815 46.7778 0.0000 172.1340 80 N 3.9760 9.1871 115.6795 54.0852 35.7112 175.0212 81 G 3.9323 8.5876 103.2667 46.4007 0.0000 173.7264 82 Q 4.6523 7.8677 117.4885 54.3156 33.1437 173.7644 83 T 5.1147 8.2230 114.2924 62.0403 72.3367 173.8818 84 I 4.5334 8.7921 126.4346 59.3815 40.0326 175.1091 85 E 4.6406 8.8990 127.1174 56.4461 30.3310 176.2689 86 F 5.0529 8.9584 116.6728 55.6212 42.0394 173.4509 87 V 4.8451 8.5171 119.1654 61.5903 34.1050 173.9883 88 D 5.1510 9.5620 128.6146 53.0198 43.0883 175.9003 89 T 5.3135 8.3743 118.7719 61.0008 71.9821 173.3058 *91 D 4.5451 8.3481 121.6851 54.4183 42.8004 174.8068 92 I 4.2551 8.7861 124.3634 60.8330 37.0630 175.8413 93 K 4.3497 9.1436 127.6787 57.6851 33.4632 177.4658 94 R 4.6278 7.5981 119.2835 54.7438 33.8130 173.9329 95 L 4.8819 8.3633 128.0105 54.3629 43.6787 174.4736 96 T 4.7220 9.1190 116.4124 59.7151 72.1653 174.1995 97 A 4.2215 8.8536 123.1621 54.9901 18.4385 178.1065 98 D 4.9706 7.8220 110.5494 54.3693 42.7450 175.9333 99 S 5.5076 8.3845 114.8041 56.7691 68.0075 172.9267 100 L 4.6625 8.6299 123.5960 53.3489 45.2380 175.0166 101 V 4.8257 8.6847 126.4443 61.0879 34.1162 174.1289 102 L 5.2647 8.8550 127.6906 53.1371 44.8839 175.0255 103 D 4.9586 8.8884 120.9236 52.7333 44.6946 174.4213 104 N 4.7253 8.4477 122.5604 52.5681 41.0968 173.9591 105 Q 3.2418 9.9596 127.3193 57.0376 26.8243 174.6165 106 G 3.5355 8.2009 102.7513 45.6789 0.0000 172.4983 *108 E 4.3709 7.5000 119.7692 56.4229 31.4179 174.9745 109 I 4.5316 8.6337 124.6008 59.1867 41.8101 173.4993 110 R 4.9452 8.4303 128.8113 54.8125 31.9987 174.3717 111 Y 5.1180 9.2825 123.4012 56.2875 41.7432 174.3640 112 A 5.3577 9.1752 123.2760 49.9519 22.1253 176.1506 113 K 3.7657 8.6914 123.0070 55.9798 32.7683 176.5674 114 Q 4.0074 8.7088 130.3279 56.0326 29.6001 176.1812 115 K 4.1002 8.5106 124.7910 56.6698 32.3046 176.5652 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 0 G 8.21 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.10 4.24 1.33 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 24 S 8.40 4.60 0.00 3.89 3.79 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 25 I 8.21 4.07 1.80 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.68 0.61 0.00 0.00 26 V 7.72 3.35 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.11 0.00 0.00 27 G 7.60 3.70 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 0.00 0.00 0.00 28 S 7.43 4.64 0.00 3.56 3.70 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 29 W 8.84 5.14 0.00 2.77 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 30 V 9.29 5.42 2.22 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 0.73 0.00 0.00 1.02 0.00 0.00 31 E 9.31 5.04 0.00 1.93 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 2.48 2.32 0.00 32 P 0.00 4.81 0.00 1.96 2.03 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 33 V 8.44 3.91 2.10 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 0.95 0.00 0.00 1.02 0.00 0.00 34 P 0.00 4.37 0.00 2.08 2.00 0.00 3.78 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 35 G 8.96 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.29 4.60 0.00 1.68 1.83 0.93 0.93 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 37 E 8.85 4.16 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 2.31 2.25 0.00 38 G 7.94 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 39 Q 7.87 4.36 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 40 V 8.29 5.15 2.18 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 0.76 0.00 0.00 0.94 0.00 0.00 41 Q 9.73 4.79 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 42 G 7.62 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 0.00 0.00 0.00 0.00 43 I 7.82 4.87 1.50 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.44 0.64 0.00 0.00 44 K 8.76 4.59 0.00 1.77 1.68 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.32 7.81 *46 E 8.41 4.56 0.00 2.24 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 2.33 2.42 0.00 47 E 8.87 4.33 0.00 2.03 1.97 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 2.41 2.33 0.00 48 G 8.69 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 0.00 0.00 0.00 49 G 8.21 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 50 V 7.51 4.28 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 0.86 0.00 0.00 0.96 0.00 0.00 51 A 8.83 5.41 1.44 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 0.00 0.00 0.00 52 S 8.82 5.09 0.00 3.92 3.97 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 53 S 8.90 4.78 0.00 3.90 3.98 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 0.00 0.00 0.00 54 V 8.91 4.02 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 0.98 0.00 0.00 0.91 0.00 0.00 55 N 8.70 4.52 0.00 3.07 2.88 0.00 0.00 7.09 7.35 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 *57 A 7.95 4.46 1.33 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 58 T 7.91 4.12 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 1.28 0.00 0.00 59 L 7.95 4.94 0.00 1.66 1.71 1.05 0.72 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 60 V 8.85 4.31 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 1.06 0.00 0.00 0.95 0.00 0.00 61 Y 9.11 4.22 0.00 3.06 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 62 E 9.49 4.74 0.00 1.87 1.89 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 2.17 2.27 0.00 63 S 7.82 5.40 0.00 3.90 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 64 W 8.81 5.93 0.00 3.41 3.05 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 65 K 9.11 4.15 0.00 1.72 1.65 0.00 1.36 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.32 1.26 7.81 66 Q 8.68 5.14 0.00 2.41 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 67 E 9.01 4.59 0.00 2.06 1.84 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 2.20 2.21 0.00 68 G 8.39 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 0.00 0.00 0.00 69 T 8.55 4.54 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 1.22 0.00 0.00 70 K 8.17 4.78 0.00 1.87 1.78 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.53 7.81 71 L 8.48 5.24 0.00 1.76 1.52 1.17 0.89 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 72 I 9.24 4.88 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.81 0.96 0.00 0.00 73 L 9.25 5.39 0.00 1.83 1.98 0.95 0.52 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 74 T 8.77 4.78 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 1.08 0.00 0.00 75 G 7.49 3.32 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 0.00 76 K 8.11 5.24 0.00 1.84 1.88 0.00 1.23 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.34 7.81 77 S 9.24 5.38 0.00 3.91 4.05 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 78 I 9.03 4.96 1.89 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 1.18 0.96 0.99 0.00 0.00 79 G 9.18 4.16 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 0.00 80 N 9.19 3.98 0.00 2.90 2.95 0.00 0.00 6.95 7.65 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 81 G 8.59 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 7.87 4.65 0.00 2.26 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 83 T 8.22 5.11 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 84 I 8.79 4.53 1.93 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 1.25 0.87 0.96 0.00 0.00 85 E 8.90 4.64 0.00 1.84 1.81 0.00 0.00 0.00 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 2.21 0.00 86 F 8.96 5.05 0.00 3.02 3.07 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 87 V 8.52 4.85 2.14 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 0.89 0.00 0.00 0.92 0.00 0.00 88 D 9.56 5.15 0.00 2.84 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 89 T 8.37 5.31 4.28 0.00 0.00 0.00 0.00 0.00 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 *91 D 8.35 4.55 0.00 2.73 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 92 I 8.79 4.26 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.54 0.81 0.00 0.00 93 K 9.14 4.35 0.00 1.54 1.83 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.49 7.81 94 R 7.60 4.63 0.00 1.80 1.65 0.00 3.15 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 95 L 8.36 4.88 0.00 1.51 1.45 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 96 T 9.12 4.72 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 1.23 0.00 0.00 97 A 8.85 4.22 1.33 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 98 D 7.82 4.97 0.00 2.73 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 99 S 8.38 5.51 0.00 3.78 3.72 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 0.00 100 L 8.63 4.66 0.00 0.27 0.56 0.44 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.68 4.83 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 0.83 0.00 0.00 0.89 0.00 0.00 102 L 8.86 5.26 0.00 1.61 1.52 0.97 0.86 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 0.00 103 D 8.89 4.96 0.00 2.59 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 8.45 4.73 0.00 2.65 2.66 0.00 0.00 7.24 7.08 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 0.00 105 Q 9.96 3.24 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.90 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 106 G 8.20 3.54 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 0.00 0.00 0.00 *108 E 7.50 4.37 0.00 1.99 1.86 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 2.14 2.47 0.00 109 I 8.63 4.53 1.76 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.80 0.90 0.00 0.00 110 R 8.43 4.95 0.00 1.76 1.69 0.00 3.24 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 111 Y 9.28 5.12 0.00 2.96 3.08 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 0.00 112 A 9.18 5.36 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 0.00 113 K 8.69 3.77 0.00 1.40 1.60 0.00 1.20 0.00 0.00 0.96 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.14 7.81 114 Q 8.71 4.01 0.00 1.93 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.67 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 115 K 8.51 4.10 0.00 2.01 1.66 0.00 1.95 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.41 0.99 7.81 * Residues marked with a * may have inaccurate shift predictions.