NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7197 8.3049 120.2777 55.3237 33.6516 174.0823 2 K 4.6597 8.9903 119.5209 53.8506 37.3979 173.4614 3 L 5.0029 9.7954 125.7839 53.5663 45.0132 174.7124 4 I 4.8924 9.0164 128.0688 59.9143 39.3712 174.8318 5 V 4.9675 9.0949 127.1465 61.0989 33.9755 174.0461 6 A 5.2906 9.2583 129.6090 50.1801 22.7514 174.4109 7 I 4.9450 8.9359 122.1735 59.7582 39.7645 175.4434 8 V 4.9850 8.8208 119.5744 59.2218 36.6248 175.3744 9 R 4.3797 8.4118 120.5490 55.4401 30.9570 176.3407 10 P 4.2853 0.0000 0.0000 65.7386 31.1331 178.8030 11 E 4.0990 8.2171 114.5938 58.3127 29.8369 178.0308 12 K 4.4311 7.8688 118.1609 56.0065 32.6555 177.6508 13 L 3.9651 7.8195 122.5999 58.2787 41.9813 178.4470 14 N 4.2893 8.1557 115.8395 56.4735 38.5614 176.8020 15 E 3.9305 8.1331 120.0661 59.1819 29.6969 178.8658 16 V 3.6219 7.9523 118.3304 66.0156 31.6376 178.0636 17 L 4.0328 8.1916 118.9115 57.6981 41.4560 179.6197 18 K 4.0270 8.3561 118.3719 59.4411 32.0562 179.2712 19 A 4.0681 8.1829 121.0053 55.0827 18.2801 179.6593 20 L 3.9897 8.2522 117.7510 58.0073 41.7223 179.5649 21 F 4.1142 8.4646 120.5609 61.4140 39.1387 177.1598 22 Q 4.0324 8.3692 116.1900 57.9237 28.5341 177.3812 23 A 4.4360 7.4217 119.4778 51.3739 19.1256 177.1352 24 E 3.4738 7.7752 116.1172 56.9466 27.3875 174.5883 25 V 4.0529 7.8039 119.5079 61.7660 31.4740 175.1227 26 R 4.4234 8.5222 126.0507 57.5480 31.5021 177.4584 27 G 3.8260 7.8823 106.7260 44.8890 0.0000 172.3757 28 L 4.6840 7.9143 123.8774 55.4179 43.2922 173.6810 29 T 4.9682 8.6121 109.0154 60.1399 72.4081 172.6140 30 L 5.2608 8.2620 121.1538 55.2699 43.6701 174.4360 31 S 4.6879 8.6913 112.7230 57.3910 66.6089 173.9543 32 R 4.7185 8.5098 120.4351 56.3956 30.7984 176.2140 33 V 4.6259 8.8662 115.3509 59.9525 36.8426 173.9657 34 Q 4.8485 8.7091 120.6705 54.4263 30.3284 175.6185 35 G 4.2086 9.1686 110.7181 44.5026 0.0000 175.9867 36 H 4.0754 8.8961 122.0058 57.1697 29.8342 177.7641 *54 E 4.1451 8.8099 112.3946 55.9672 30.2373 174.2318 55 L 4.9263 8.1022 119.1362 53.2848 44.6955 175.8816 56 H 5.2041 8.9051 119.9917 53.4424 32.3597 173.1397 57 E 4.5612 8.8521 120.2387 56.6684 30.2692 175.9753 58 K 4.8077 9.3184 121.9461 54.6771 37.4928 174.8505 59 V 4.7064 8.7632 120.9360 61.2458 34.3785 173.9834 60 R 5.0078 9.1299 128.9095 54.9241 31.7165 174.6722 61 L 5.2733 9.0542 126.8301 53.0133 45.0051 175.2249 62 E 5.0495 9.2284 122.9660 54.6280 32.9163 174.3685 63 I 4.7640 9.2655 128.0862 59.4780 40.8604 174.6689 64 G 4.3163 8.7965 114.8950 45.2442 0.0000 173.1590 65 V 4.8138 8.7656 118.3706 59.2841 36.4416 175.8074 66 S 4.7357 8.5131 117.1691 57.5859 64.3590 174.9042 67 E 3.9860 8.9473 120.4202 59.5085 28.8835 178.0071 68 P 4.3550 0.0000 0.0000 64.4499 31.8182 177.5139 69 F 4.4014 8.2536 115.5964 57.2581 39.1918 177.7591 70 V 3.5957 7.6100 119.2774 65.9901 31.3761 177.8481 71 K 3.9092 7.9733 117.4923 59.2125 31.9831 177.3438 72 P 4.2503 0.0000 0.0000 65.8254 31.2019 178.8816 73 T 3.8967 7.9250 114.3822 66.5888 68.3522 176.8885 74 V 3.5681 7.9167 120.1458 66.2035 31.5980 177.8923 75 E 3.9287 8.6062 118.4317 59.2730 29.3179 179.0951 76 A 4.0275 8.1924 120.8825 55.3721 18.3769 179.8569 77 I 3.7184 7.7891 118.1581 64.3958 37.3691 178.5632 78 L 3.9682 8.1959 120.1844 57.8650 41.2331 179.8705 79 K 4.0874 7.9645 116.9776 59.3371 32.1447 179.0412 80 A 4.3200 7.8728 119.6151 54.4735 18.5242 178.8854 81 A 4.2010 8.0464 118.0750 52.8041 19.3545 177.9646 82 R 4.1995 7.1385 117.2855 56.5382 30.6738 176.1687 83 T 4.4031 9.5638 114.1982 60.9720 70.7098 175.2048 84 G 4.0153 8.8327 109.0025 44.9803 0.0000 173.1301 85 E 4.4830 7.5852 118.7197 54.3941 30.9479 176.2944 86 V 3.5120 8.1200 121.6107 64.9903 31.0208 176.0720 87 G 4.1067 8.9882 114.3213 45.7384 0.0000 174.9601 88 D 4.3520 7.8910 120.4825 55.1748 41.0724 175.0347 89 G 4.2214 7.2248 99.8731 44.8213 0.0000 172.3531 90 K 4.6564 8.2703 115.8770 54.8715 37.0788 175.6965 91 I 4.9466 7.8149 121.2378 59.6965 40.4146 174.8821 92 F 4.8387 9.6495 125.8991 55.5600 41.8903 174.6836 93 V 4.7469 8.5739 122.7363 61.3328 33.1104 174.4683 94 L 5.0041 9.0407 128.7057 52.0796 44.4809 174.5266 95 P 4.7433 0.0000 0.0000 62.8601 32.4008 175.6197 96 V 4.3641 8.1010 120.9828 61.4872 33.4663 175.2246 97 E 4.1922 9.1060 127.6124 58.9482 29.8417 177.1754 98 K 4.5661 7.5135 114.5375 54.8290 36.3775 175.3128 99 V 4.4979 7.8645 120.2608 61.4266 34.8394 173.5034 100 Y 5.0593 8.7947 124.5791 56.1802 40.9315 174.9702 101 R 4.3700 8.9711 124.6084 55.0417 30.8809 177.1700 102 I 3.7441 8.6502 128.1923 64.4110 37.5472 177.2385 103 R 4.0258 8.2126 119.5724 59.2148 29.7610 177.0019 104 T 4.2077 7.9118 105.0664 61.0940 69.7632 175.4461 105 G 3.9455 8.0991 109.5791 45.9766 0.0000 172.7663 106 E 4.8911 7.8181 118.0988 53.6819 33.2822 175.1845 107 E 4.1757 8.5345 119.9671 56.6875 30.1690 177.0118 108 D 4.2654 8.6248 119.0684 54.6718 41.5978 174.7939 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 1 M 8.30 4.72 0.00 1.91 2.05 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 2 K 8.99 4.66 0.00 1.64 1.66 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.62 7.81 3 L 9.80 5.00 0.00 1.72 1.52 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 4 I 9.02 4.89 2.01 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 1.16 0.50 0.96 0.00 0.00 5 V 9.09 4.97 2.24 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 1.03 0.00 0.00 0.96 0.00 0.00 6 A 9.26 5.29 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.94 4.95 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.40 0.96 0.00 0.00 8 V 8.82 4.98 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 0.79 0.00 0.00 1.01 0.00 0.00 9 R 8.41 4.38 0.00 1.88 1.85 0.00 3.14 0.00 0.00 3.50 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 10 P 0.00 4.29 0.00 2.16 2.12 0.00 3.61 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.16 0.00 11 E 8.22 4.10 0.00 2.12 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 0.00 2.28 2.40 0.00 12 K 7.87 4.43 0.00 1.89 1.86 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.37 1.75 7.81 13 L 7.82 3.97 0.00 1.78 1.76 0.94 0.46 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 14 N 8.16 4.29 0.00 2.77 2.86 0.00 0.00 6.73 7.66 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 15 E 8.13 3.93 0.00 2.04 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 0.00 2.39 2.38 0.00 16 V 7.95 3.62 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 1.08 0.00 0.00 1.02 0.00 0.00 17 L 8.19 4.03 0.00 1.87 1.73 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.36 4.03 0.00 1.99 1.90 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.69 7.81 19 A 8.18 4.07 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.25 3.99 0.00 1.91 1.80 0.96 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.46 4.11 0.00 3.12 3.22 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 0.00 0.00 0.00 0.00 22 Q 8.37 4.03 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.81 2.60 0.00 23 A 7.42 4.44 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.78 3.47 0.00 2.41 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 0.00 2.14 2.17 0.00 25 V 7.80 4.05 2.27 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 0.80 0.00 0.00 1.10 0.00 0.00 26 R 8.52 4.42 0.00 1.82 2.01 0.00 3.22 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 27 G 7.88 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.91 4.68 0.00 1.75 1.64 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.61 4.97 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 30 L 8.26 5.26 0.00 1.69 1.65 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.69 4.69 0.00 3.90 3.96 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 0.00 0.00 0.00 32 R 8.51 4.72 0.00 1.73 1.91 0.00 3.16 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 33 V 8.87 4.63 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 0.77 0.00 0.00 1.01 0.00 0.00 34 Q 8.71 4.85 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 35 G 9.17 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 0.00 0.00 0.00 0.00 36 H 8.90 4.08 0.00 3.33 2.43 0.00 5.77 0.00 0.00 0.00 0.00 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *54 E 8.81 4.15 0.00 1.92 1.79 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 2.20 2.33 0.00 55 L 8.10 4.93 0.00 1.55 1.52 0.91 1.01 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 56 H 8.91 5.20 0.00 3.03 3.15 0.00 5.62 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.85 4.56 0.00 1.99 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 2.36 0.00 58 K 9.32 4.81 0.00 1.65 1.84 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.54 7.81 59 V 8.76 4.71 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 1.10 0.00 0.00 0.95 0.00 0.00 60 R 9.13 5.01 0.00 1.91 1.79 0.00 3.12 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 61 L 9.05 5.27 0.00 1.66 1.56 0.95 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 62 E 9.23 5.05 0.00 2.00 1.77 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 2.20 2.27 0.00 63 I 9.27 4.76 1.90 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 1.19 0.56 0.93 0.00 0.00 64 G 8.80 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 0.00 0.00 0.00 0.00 65 V 8.77 4.81 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 0.80 0.00 0.00 0.99 0.00 0.00 66 S 8.51 4.74 0.00 4.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.95 3.99 0.00 2.02 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 0.00 2.43 2.38 0.00 68 P 0.00 4.36 0.00 2.02 2.03 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 69 F 8.25 4.40 0.00 3.24 3.10 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 70 V 7.61 3.60 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 1.05 0.00 0.00 1.05 0.00 0.00 71 K 7.97 3.91 0.00 1.77 1.80 0.00 1.87 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.46 7.81 72 P 0.00 4.25 0.00 2.11 2.01 0.00 3.61 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.01 0.00 73 T 7.92 3.90 4.47 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 1.26 0.00 0.00 74 V 7.92 3.57 2.21 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 1.11 0.00 0.00 1.00 0.00 0.00 75 E 8.61 3.93 0.00 2.01 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 2.32 2.50 0.00 76 A 8.19 4.03 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.79 3.72 2.00 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 1.55 0.72 0.92 0.00 0.00 78 L 8.20 3.97 0.00 1.80 1.71 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 79 K 7.96 4.09 0.00 1.75 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.18 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.62 7.81 80 A 7.87 4.32 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 A 8.05 4.20 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 82 R 7.14 4.20 0.00 1.99 1.84 0.00 3.19 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 83 T 9.56 4.40 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 1.26 0.00 0.00 84 G 8.83 4.02 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 0.00 0.00 0.00 85 E 7.59 4.48 0.00 1.97 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 2.28 2.36 0.00 86 V 8.12 3.51 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 0.77 0.00 0.00 0.93 0.00 0.00 87 G 8.99 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 88 D 7.89 4.35 0.00 2.68 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 89 G 7.22 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.27 4.66 0.00 1.56 1.15 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.42 7.81 91 I 7.81 4.95 1.78 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 1.32 0.54 0.91 0.00 0.00 92 F 9.65 4.84 0.00 2.99 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 93 V 8.57 4.75 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 0.85 0.00 0.00 0.96 0.00 0.00 94 L 9.04 5.00 0.00 1.59 1.54 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.74 0.00 2.08 2.06 0.00 3.72 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 96 V 8.10 4.36 2.24 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 0.88 0.00 0.00 1.01 0.00 0.00 97 E 9.11 4.19 0.00 2.02 2.00 0.00 0.00 0.00 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 2.34 0.00 98 K 7.51 4.57 0.00 1.70 1.31 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.41 7.81 99 V 7.86 4.50 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 1.07 0.00 0.00 0.91 0.00 0.00 100 Y 8.79 5.06 0.00 2.85 2.84 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 0.00 101 R 8.97 4.37 0.00 2.02 1.83 0.00 3.20 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 102 I 8.65 3.74 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 1.31 0.68 0.91 0.00 0.00 103 R 8.21 4.03 0.00 1.77 1.99 0.00 3.22 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 104 T 7.91 4.21 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 0.00 105 G 8.10 3.95 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 0.00 0.00 0.00 106 E 7.82 4.89 0.00 1.97 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.50 0.00 107 E 8.53 4.18 0.00 1.80 1.60 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 1.57 2.17 0.00 108 D 8.62 4.27 0.00 2.49 2.40 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 * Residues marked with a * may have inaccurate shift predictions.