NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.6700 8.4293 117.8296 55.6202 30.2680 176.0468 *2 I 4.0635 8.2836 121.8315 61.6600 39.0023 173.1068 3 V 4.9255 8.5224 123.5504 61.2214 34.2046 173.6133 4 E 5.1828 9.1742 128.9437 54.6579 31.4004 174.3896 5 E 4.7249 8.9366 128.3894 54.8673 31.5820 174.4338 6 R 5.0071 8.7556 126.8249 54.6547 32.9432 175.6228 7 I 4.8305 8.9259 123.8626 59.8960 40.8196 173.8629 8 Y 5.3803 8.9334 125.3301 56.1812 41.3337 174.8756 9 R 4.7890 9.0608 124.3909 55.3011 31.5033 175.2540 10 I 4.6762 8.5335 128.0894 59.8686 38.9588 176.2229 11 R 4.0404 8.8340 124.9468 55.9428 31.2575 176.7719 12 G 3.8411 8.6297 111.9441 47.3446 0.0000 173.9867 13 G 3.9562 9.0663 112.3148 45.4816 0.0000 174.1081 14 K 4.4004 7.8001 120.5372 54.8018 31.2964 176.5937 *16 Q 4.2832 7.7321 120.0816 55.7049 31.4110 177.7582 17 E 4.0139 8.1668 118.0176 59.0609 29.7659 177.9495 18 Y 4.0009 8.4205 119.9693 60.8342 38.9805 178.1201 19 L 4.0848 8.1243 119.4727 57.3774 41.6995 179.1507 20 K 3.8556 8.0680 119.6884 59.5217 32.1097 178.5351 21 L 4.0744 7.6184 118.9167 58.0795 41.5429 179.9455 22 V 3.5438 7.5853 117.5778 65.9085 31.2567 177.9543 23 R 3.7492 8.1432 117.5340 59.4142 30.0137 177.7401 24 E 4.3040 8.2413 116.6180 57.4651 30.0540 176.4984 25 E 4.3886 7.8117 115.4751 57.4655 32.4255 177.8661 26 G 3.0352 7.8455 105.3319 47.8227 0.0000 175.5305 27 I 3.8256 8.0335 121.7576 63.2889 37.7100 177.8125 28 A 3.9569 7.8075 120.7887 54.9146 17.6129 179.2657 29 I 3.7628 7.3064 116.9266 64.5902 37.2792 178.5056 30 Q 3.4913 8.0710 119.9713 58.8552 28.8599 177.7163 31 A 4.3786 8.2852 122.0498 54.7178 18.1802 177.8341 32 P 4.1770 0.0000 0.0000 65.8719 31.6093 178.5678 33 I 3.7967 6.8195 113.9011 64.3563 37.0536 178.1734 34 L 4.2139 7.7203 118.7820 55.8119 41.6123 177.0075 35 G 4.1850 9.5777 105.9414 45.5896 0.0000 173.4988 36 N 4.8395 7.5911 116.7789 51.4870 39.1720 171.2256 37 L 3.4444 7.8491 121.3019 54.5092 42.9587 176.4049 38 I 3.8952 7.9137 127.3323 63.2212 37.8598 176.1113 39 G 3.7637 6.9537 106.3522 44.5738 0.0000 171.0905 40 Y 4.5778 7.0076 120.5253 55.8334 41.4703 174.1579 41 F 5.1557 9.7764 125.0295 55.7453 43.8165 173.7926 42 V 4.9374 8.5145 120.7332 61.4283 33.7142 175.1117 43 T 4.1566 8.6658 124.9809 63.6405 68.4243 174.0022 44 D 4.6348 8.8990 125.0904 54.9642 42.5598 176.4457 45 I 4.5626 8.3551 118.6878 58.9253 40.7531 173.5286 46 G 3.8289 8.6483 114.4761 43.7952 0.0000 171.4881 47 P 4.2973 0.0000 0.0000 62.5442 31.8048 176.0215 48 L 4.5091 8.3191 122.8009 53.4993 44.0407 175.3560 49 S 3.6705 8.4000 110.8169 59.9215 60.8596 171.1093 50 Q 5.0939 7.8930 119.0623 54.1370 32.0421 173.9832 51 V 4.9395 8.7158 126.3334 61.2003 34.3336 174.1914 52 I 4.9876 9.0223 128.3058 59.9683 40.6429 174.4239 53 H 5.0714 8.0626 121.1481 52.5514 32.3628 171.3980 *55 W 4.7004 8.4998 116.3822 56.9868 30.4381 174.9997 56 G 4.2196 8.8880 112.8130 45.6789 0.0000 172.6109 57 Y 5.0657 8.9308 120.1821 56.1106 41.8097 175.5703 58 A 4.2171 9.0011 124.8347 54.9778 19.0983 178.4175 59 S 4.6927 7.5585 108.4962 56.2728 67.1941 175.1651 60 L 3.9810 8.3940 122.0774 57.5699 41.3723 179.5721 61 D 4.2399 7.9182 118.6669 57.4652 40.9652 177.8927 62 D 4.3642 8.3835 118.9096 57.3081 41.0920 178.2052 63 R 2.9260 8.1646 119.2983 59.2107 29.8921 178.4441 64 A 3.8690 7.8806 120.4635 54.7644 18.1863 179.3544 65 E 3.7917 8.5434 118.4022 59.6938 29.7667 179.3653 66 R 3.8818 7.9623 118.0362 59.2162 29.9981 179.2563 67 R 3.9336 8.2176 118.0723 58.4903 29.9881 179.3627 68 G 3.5074 7.7127 105.6193 47.7027 0.0000 175.8891 69 K 3.9045 8.1583 121.8086 58.8726 31.8410 179.0425 70 L 3.6140 7.7288 119.0861 58.1322 42.0494 178.3466 71 A 4.3752 7.8878 119.3113 55.6586 18.3628 179.2277 72 E 4.1735 8.0609 115.6878 57.8706 29.9786 177.4400 73 D 4.4282 7.7982 119.5127 54.6626 41.7908 177.2287 74 Q 4.1357 8.8656 125.6779 59.1057 28.7631 178.8947 75 R 4.0482 8.2014 118.8859 58.8370 30.1017 178.6904 76 W 4.3646 9.0463 128.7314 60.6407 30.5313 178.1330 77 Q 3.9559 8.2228 116.8949 58.8108 28.1558 178.3255 78 A 4.1499 7.6912 120.8547 54.5974 18.9154 179.2478 79 F 4.1073 8.0577 119.3492 61.4439 39.5405 177.4245 80 I 3.0287 7.5192 118.5945 63.2514 37.3911 175.9740 81 P 4.2202 0.0000 0.0000 65.5643 30.8709 178.7134 82 R 3.7785 7.3048 116.0698 58.6590 30.1773 178.5369 83 L 3.8652 6.9858 119.7705 58.1577 42.2231 178.9299 84 S 4.0783 8.2713 115.7187 61.4346 62.4604 177.0391 85 V 3.6735 7.2725 120.8758 64.1259 31.2413 177.4984 86 L 4.4401 8.0720 118.1704 53.9843 41.7585 175.8018 87 I 4.4114 7.0151 121.1661 60.0986 38.1072 175.1238 88 E 4.3876 9.2832 127.8092 58.5107 30.3388 176.2801 89 S 4.8721 7.7354 111.7773 57.3167 66.5442 173.1607 90 S 5.5074 8.2857 114.3430 57.4483 66.2352 172.6779 91 E 5.0102 8.7893 115.9867 55.7291 32.7805 173.9184 92 N 6.1391 9.0004 117.9665 50.5518 41.1838 173.1097 93 R 4.7553 8.3310 113.9747 55.1468 33.2631 173.4302 94 I 4.9007 8.3097 120.9323 59.8306 39.0035 174.9854 95 L 4.7708 9.5136 128.0160 52.8758 44.6317 175.5498 96 L 4.9006 8.3075 122.6504 52.1793 43.1713 174.7554 97 P 4.1707 0.0000 0.0000 62.7356 32.0757 176.7679 98 T 3.9650 7.8654 111.7910 60.9486 69.3584 175.0724 99 D 4.4123 8.3775 121.4536 55.1471 39.5297 176.8713 100 F 4.8355 6.7794 113.6047 56.3586 38.1742 175.1133 101 S 4.2414 7.4588 116.9904 57.4689 62.5993 172.0722 102 P 4.2335 0.0000 0.0000 65.2381 31.2328 176.1029 103 L 4.3253 7.6331 120.4385 54.3060 41.8497 176.2429 104 R 4.1306 8.2424 121.9838 56.9121 28.6959 174.5018 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 H 8.43 4.67 0.00 3.18 2.39 0.00 5.70 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 I 8.28 4.06 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.44 0.95 0.00 0.00 3 V 8.52 4.93 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 0.96 0.00 0.00 0.94 0.00 0.00 4 E 9.17 5.18 0.00 2.22 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 0.00 2.37 2.32 0.00 5 E 8.94 4.72 0.00 2.11 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 2.19 2.24 0.00 6 R 8.76 5.01 0.00 1.34 1.52 0.00 3.31 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 7 I 8.93 4.83 1.90 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 1.19 1.02 0.92 0.00 0.00 8 Y 8.93 5.38 0.00 2.74 2.65 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 0.00 0.00 0.00 0.00 9 R 9.06 4.79 0.00 1.88 1.82 0.00 3.08 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 1.60 0.00 10 I 8.53 4.68 1.81 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.54 0.91 0.00 0.00 11 R 8.83 4.04 0.00 1.77 1.86 0.00 3.21 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.59 0.00 12 G 8.63 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 0.00 0.00 0.00 13 G 9.07 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 0.00 0.00 0.00 14 K 7.80 4.40 0.00 1.98 1.80 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.54 7.81 *16 Q 7.73 4.28 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 17 E 8.17 4.01 0.00 2.08 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 18 Y 8.42 4.00 0.00 3.11 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 19 L 8.12 4.08 0.00 1.81 1.74 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.07 3.86 0.00 2.04 1.96 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 21 L 7.62 4.07 0.00 1.81 1.87 0.78 1.29 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 22 V 7.59 3.54 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 0.78 0.00 0.00 0.74 0.00 0.00 23 R 8.14 3.75 0.00 1.74 2.12 0.00 3.28 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 24 E 8.24 4.30 0.00 2.08 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 2.29 2.44 0.00 25 E 7.81 4.39 0.00 2.12 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 2.29 2.29 0.00 26 G 7.85 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 0.00 0.00 0.00 27 I 8.03 3.83 1.88 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.49 0.87 0.00 0.00 28 A 7.81 3.96 1.26 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 0.00 0.00 0.00 29 I 7.31 3.76 2.12 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 1.45 0.90 1.05 0.00 0.00 30 Q 8.07 3.49 0.00 1.86 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.79 1.50 0.00 31 A 8.29 4.38 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 32 P 0.00 4.18 0.00 2.00 2.11 0.00 3.68 0.00 0.00 3.66 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 33 I 6.82 3.80 1.65 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 1.45 0.38 0.81 0.00 0.00 34 L 7.72 4.21 0.00 1.32 1.48 -0.38 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 35 G 9.58 4.18 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 0.00 36 N 7.59 4.84 0.00 2.69 2.75 0.00 0.00 6.87 6.66 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 37 L 7.85 3.44 0.00 1.15 1.33 -0.21 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.91 3.90 1.73 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.87 0.88 0.00 0.00 39 G 6.95 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.01 4.58 0.00 2.66 2.48 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 41 F 9.78 5.16 0.00 2.91 2.86 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 42 V 8.51 4.94 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.06 0.00 0.00 43 T 8.67 4.16 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 1.30 0.00 0.00 44 D 8.90 4.63 0.00 2.63 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.36 4.56 1.86 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 1.35 0.79 0.91 0.00 0.00 46 G 8.65 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 47 P 0.00 4.30 0.00 2.06 2.01 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 48 L 8.32 4.51 0.00 1.63 1.60 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.40 3.67 0.00 3.99 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 50 Q 7.89 5.09 0.00 2.18 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.65 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 51 V 8.72 4.94 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 1.27 0.00 0.00 0.80 0.00 0.00 52 I 9.02 4.99 2.00 0.00 0.00 0.82 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 0.83 0.91 0.00 0.00 53 H 8.06 5.07 0.00 2.69 1.93 0.00 5.76 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *55 W 8.50 4.70 0.00 3.45 2.97 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 56 G 8.89 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 57 Y 8.93 5.07 0.00 2.81 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.00 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 59 S 7.56 4.69 0.00 4.01 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 60 L 8.39 3.98 0.00 1.68 1.70 0.91 0.96 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 61 D 7.92 4.24 0.00 2.74 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.38 4.36 0.00 2.77 2.86 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 63 R 8.16 2.93 0.00 0.91 1.63 0.00 2.81 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.50 0.00 64 A 7.88 3.87 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 65 E 8.54 3.79 0.00 1.97 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 2.29 2.32 0.00 66 R 7.96 3.88 0.00 1.94 2.09 0.00 3.53 0.00 0.00 3.58 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 67 R 8.22 3.93 0.00 1.72 1.88 0.00 3.12 0.00 0.00 3.02 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 68 G 7.71 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.16 3.90 0.00 1.99 1.83 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.46 1.33 7.81 70 L 7.73 3.61 0.00 1.36 1.61 -0.53 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.89 4.38 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 72 E 8.06 4.17 0.00 2.12 2.04 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 2.36 2.47 0.00 73 D 7.80 4.43 0.00 2.80 2.83 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 74 Q 8.87 4.14 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 75 R 8.20 4.05 0.00 2.10 2.06 0.00 3.15 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 76 W 9.05 4.36 0.00 3.40 3.42 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 77 Q 8.22 3.96 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.78 0.00 0.00 0.00 0.00 0.00 2.46 2.72 0.00 78 A 7.69 4.15 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 79 F 8.06 4.11 0.00 3.15 2.91 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 80 I 7.52 3.03 0.72 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.77 0.67 0.00 0.00 81 P 0.00 4.22 0.00 2.06 1.98 0.00 3.44 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 82 R 7.30 3.78 0.00 1.58 1.73 0.00 3.06 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.47 0.00 83 L 6.99 3.87 0.00 0.94 1.31 0.43 1.16 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 84 S 8.27 4.08 0.00 3.76 3.81 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 0.00 0.00 0.00 85 V 7.27 3.67 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 0.73 0.00 0.00 0.89 0.00 0.00 86 L 8.07 4.44 0.00 1.95 1.82 0.98 0.60 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 87 I 7.02 4.41 1.87 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.73 0.70 0.00 0.00 88 E 9.28 4.39 0.00 1.90 2.02 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 2.29 2.29 0.00 89 S 7.74 4.87 0.00 3.90 3.89 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 0.00 0.00 0.00 90 S 8.29 5.51 0.00 4.01 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.79 5.01 0.00 2.08 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 2.21 2.26 0.00 92 N 9.00 6.14 0.00 2.74 2.86 0.00 0.00 6.18 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 93 R 8.33 4.76 0.00 1.87 2.02 0.00 2.94 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 94 I 8.31 4.90 1.89 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 1.36 0.90 0.94 0.00 0.00 95 L 9.51 4.77 0.00 1.50 1.53 0.97 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.31 4.90 0.00 1.48 1.58 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.17 0.00 1.95 2.14 0.00 3.66 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 98 T 7.87 3.97 3.29 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 0.89 0.00 0.00 99 D 8.38 4.41 0.00 2.79 2.81 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 0.00 0.00 0.00 100 F 6.78 4.84 0.00 3.16 3.14 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 0.00 0.00 0.00 0.00 101 S 7.46 4.24 0.00 3.63 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 P 0.00 4.23 0.00 2.08 2.13 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 103 L 7.63 4.33 0.00 1.56 1.57 0.90 0.84 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 0.00 104 R 8.24 4.13 0.00 1.82 1.84 0.00 3.05 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 * Residues marked with a * may have inaccurate shift predictions.