NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7418 8.1633 120.2783 55.2429 34.0559 173.9851 2 K 4.9006 9.0467 121.1206 53.8372 36.9684 173.1616 3 Q 5.0136 9.4164 124.1777 54.4247 32.0313 173.9371 4 V 4.8401 8.9830 126.6554 61.4716 34.0929 174.2089 5 T 5.2479 9.1731 124.3855 61.7344 71.8303 172.8790 6 A 4.9593 8.8811 127.2660 50.0778 22.9727 174.7087 7 I 4.9554 8.3501 122.8530 59.6449 39.5086 174.9144 8 I 4.9520 8.4661 120.1737 58.3278 41.7235 175.1419 9 K 4.2198 8.1665 121.5216 55.3801 32.7139 176.9649 10 P 4.2108 0.0000 0.0000 65.4655 31.4596 177.6788 11 F 4.6433 7.3417 111.3714 57.3411 38.2385 176.3427 12 K 4.4288 7.6447 120.9309 56.5426 32.2374 177.8844 13 L 3.8983 7.6191 121.7528 58.4758 42.1175 178.4870 14 D 4.3512 8.1353 118.1959 57.4281 40.6771 178.4085 15 E 3.9822 8.1079 119.4048 59.0387 29.6994 178.8635 16 V 3.5516 8.0781 118.8581 65.9028 31.6078 177.9981 17 R 3.8598 8.2050 118.7004 59.3807 29.7822 178.1448 18 E 3.9467 8.3534 119.4142 59.2881 28.6670 178.9740 19 S 4.1546 8.3330 114.4918 61.2368 63.0789 176.5171 20 L 4.0939 8.1896 122.5435 57.6550 41.5503 179.2561 21 A 4.1597 8.1681 120.5903 55.1991 18.0097 179.4173 22 E 4.0850 7.9108 116.3001 58.3103 29.5204 178.4871 23 V 4.3159 6.9091 116.8636 62.1558 31.8152 175.9324 24 G 3.8068 7.7693 103.6278 45.5986 0.0000 173.5347 25 V 4.2911 7.7426 119.6877 61.1273 32.2798 175.5144 26 T 4.5680 8.4362 115.5351 61.2250 70.4119 174.9012 27 G 3.8776 7.8688 112.0886 44.3888 0.0000 172.3804 28 L 4.6566 7.6739 122.9575 54.6422 43.7893 176.0255 29 T 4.6304 8.3901 118.3226 61.7753 71.1507 173.4228 30 V 4.9192 8.4460 125.6202 61.3677 34.2245 174.5476 31 T 4.6915 8.7526 124.0622 61.6125 71.9893 173.0164 32 E 4.4856 8.8766 125.9193 56.4076 30.4205 176.2214 33 V 4.6684 8.4920 117.8384 59.3683 36.1391 174.6419 34 K 4.9640 8.6281 119.1352 55.0208 35.4546 176.4603 35 G 3.8412 8.6464 110.0177 45.8177 0.0000 171.8361 *57 P 4.2605 0.0000 0.0000 62.3201 32.4090 175.3979 58 K 4.7345 8.6230 120.2663 54.6598 37.2459 174.7977 59 V 4.7447 8.5047 119.8227 61.1513 34.8183 173.9058 60 K 4.9565 9.0737 128.7225 54.8778 34.3689 174.7722 61 I 4.9894 8.8827 128.0940 59.5885 40.5346 174.4247 62 E 5.2686 9.3920 125.2313 54.7212 33.6387 175.0059 63 V 4.6743 9.0638 122.3841 61.2914 35.8517 173.8885 64 V 4.8596 8.4280 125.7950 61.5127 32.8330 174.8913 65 V 4.6299 8.7303 120.7790 58.8517 36.3608 174.8761 66 D 4.6397 8.6238 120.6491 54.5005 41.7075 176.7351 67 D 4.4083 8.8927 124.4981 57.6506 40.9204 178.8924 68 K 4.1910 8.4640 116.3335 57.7937 32.6049 178.2107 69 V 4.0706 7.7388 117.8216 63.0257 31.6496 177.4283 70 V 3.5732 7.4671 117.9577 66.7732 31.3895 177.3451 71 E 3.9327 8.1764 117.5770 59.6932 29.2923 178.8479 72 Q 3.9679 8.2106 117.0144 59.2474 28.8203 179.0945 73 A 3.9608 7.8695 120.8403 55.2436 18.4487 179.7032 74 V 3.5110 7.8895 116.6536 66.4642 31.4745 177.9899 75 D 4.3348 8.2399 118.2167 57.3173 40.4629 178.6863 76 A 4.0638 8.3290 121.6906 54.8649 18.2677 179.8500 77 I 3.6814 7.8723 118.6405 64.5213 37.0552 178.6109 78 I 3.6719 7.8704 120.7218 64.2973 36.6937 178.7008 79 K 3.9560 7.6455 117.8752 59.4545 31.9903 178.9839 80 A 4.1648 7.6723 119.5924 54.4213 18.5631 178.8475 81 A 4.1967 8.1221 118.2040 52.7654 19.5020 178.0441 82 R 4.1530 7.0687 117.4984 56.9520 30.7411 176.0665 83 T 4.4041 8.7365 114.7736 61.4573 69.8142 174.8833 84 G 4.0125 8.9308 108.3031 44.7968 0.0000 173.2130 85 K 4.5681 7.5619 118.8527 54.3124 34.0629 175.9233 86 I 3.7385 8.0454 122.8312 62.9586 36.1358 176.4907 87 G 4.1276 9.0365 112.0513 45.3726 0.0000 175.0288 88 D 4.4018 7.4912 119.2399 56.0526 40.9945 174.8007 89 G 4.1279 6.6919 101.8348 44.6192 0.0000 172.4437 90 K 4.5717 8.1616 116.0383 54.9302 36.9285 175.4477 91 I 4.6611 7.8107 121.4723 59.5032 40.0751 175.1805 92 F 5.1255 9.2223 124.4349 55.6560 42.9832 174.0593 93 V 4.9983 8.5742 120.9235 61.4362 33.9254 174.6143 94 Q 4.7339 9.0475 125.0570 54.0949 33.5215 174.2441 95 E 4.4646 8.7770 120.5643 56.3091 30.6824 176.4396 96 V 4.4098 8.0681 122.7807 61.1385 32.9724 175.4729 97 E 4.2140 9.0555 126.5405 58.5299 30.2136 177.0210 98 Q 4.5804 7.7017 116.0501 53.9280 32.8194 174.1622 99 V 4.4522 8.2558 119.9282 61.0766 34.4169 174.7235 100 I 4.5406 8.2287 126.6629 59.3765 40.4623 174.5934 101 R 4.4076 8.3467 124.6972 54.9069 30.9999 176.7864 102 I 3.6598 8.5378 126.7289 64.6694 37.5145 177.0879 103 R 4.0523 8.1843 118.8875 59.1132 29.6740 176.8482 104 T 4.3390 7.9151 104.2041 60.4054 70.7677 174.1497 105 G 4.0640 8.2302 115.8323 45.8120 0.0000 173.0800 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 8.16 4.74 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 2 K 9.05 4.90 0.00 1.63 1.74 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.60 7.81 3 Q 9.42 5.01 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 4 V 8.98 4.84 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 0.94 0.00 0.00 0.94 0.00 0.00 5 T 9.17 5.25 4.54 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 1.39 0.00 0.00 6 A 8.88 4.96 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.35 4.96 1.86 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.86 0.91 0.00 0.00 8 I 8.47 4.95 1.75 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 1.27 0.85 0.83 0.00 0.00 9 K 8.17 4.22 0.00 1.08 0.91 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.36 1.24 7.81 10 P 0.00 4.21 0.00 2.22 2.28 0.00 3.46 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.93 0.00 11 F 7.34 4.64 0.00 3.10 3.25 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 12 K 7.64 4.43 0.00 1.79 1.80 0.00 1.87 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.20 1.61 7.81 13 L 7.62 3.90 0.00 1.91 1.66 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.14 4.35 0.00 2.75 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 15 E 8.11 3.98 0.00 2.07 2.06 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 0.00 2.39 2.38 0.00 16 V 8.08 3.55 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 0.92 0.00 0.00 0.92 0.00 0.00 17 R 8.20 3.86 0.00 1.91 2.06 0.00 3.15 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 18 E 8.35 3.95 0.00 2.17 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 2.31 2.32 0.00 19 S 8.33 4.15 0.00 4.08 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 0.00 20 L 8.19 4.09 0.00 1.93 1.92 0.91 0.58 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 21 A 8.17 4.16 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 22 E 7.91 4.09 0.00 2.07 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 2.34 2.63 0.00 23 V 6.91 4.32 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 0.93 0.00 0.00 24 G 7.77 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 0.00 0.00 0.00 25 V 7.74 4.29 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 0.84 0.00 0.00 0.93 0.00 0.00 26 T 8.44 4.57 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 27 G 7.87 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 28 L 7.67 4.66 0.00 1.54 1.60 0.92 0.91 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 29 T 8.39 4.63 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 1.21 0.00 0.00 30 V 8.45 4.92 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 0.93 0.00 0.00 31 T 8.75 4.69 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 1.21 0.00 0.00 32 E 8.88 4.49 0.00 1.85 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 2.31 2.34 0.00 33 V 8.49 4.67 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 0.91 0.00 0.00 0.99 0.00 0.00 34 K 8.63 4.96 0.00 1.69 1.66 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.33 1.34 7.81 35 G 8.65 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 *57 P 0.00 4.26 0.00 2.22 2.12 0.00 3.72 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 1.90 2.01 0.00 58 K 8.62 4.73 0.00 1.67 1.76 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.32 7.81 59 V 8.50 4.74 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 0.99 0.00 0.00 0.90 0.00 0.00 60 K 9.07 4.96 0.00 1.85 1.65 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.44 7.81 61 I 8.88 4.99 1.85 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 1.21 0.60 0.90 0.00 0.00 62 E 9.39 5.27 0.00 1.83 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 2.24 2.24 0.00 63 V 9.06 4.67 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 0.86 0.00 0.00 0.93 0.00 0.00 64 V 8.43 4.86 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 0.94 0.00 0.00 0.94 0.00 0.00 65 V 8.73 4.63 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 0.68 0.00 0.00 0.93 0.00 0.00 66 D 8.62 4.64 0.00 2.67 2.54 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 67 D 8.89 4.41 0.00 2.82 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 68 K 8.46 4.19 0.00 1.80 1.86 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.54 7.81 69 V 7.74 4.07 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 1.01 0.00 0.00 0.93 0.00 0.00 70 V 7.47 3.57 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 0.98 0.00 0.00 0.94 0.00 0.00 71 E 8.18 3.93 0.00 2.04 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 2.40 2.41 0.00 72 Q 8.21 3.97 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 73 A 7.87 3.96 1.40 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 0.00 0.00 74 V 7.89 3.51 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 1.00 0.00 0.00 0.97 0.00 0.00 75 D 8.24 4.33 0.00 2.95 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.33 4.06 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 77 I 7.87 3.68 1.98 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 1.49 0.78 0.86 0.00 0.00 78 I 7.87 3.67 1.94 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 1.48 1.14 0.89 0.00 0.00 79 K 7.65 3.96 0.00 1.78 1.87 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.45 7.81 80 A 7.67 4.16 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 81 A 8.12 4.20 1.27 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 0.00 0.00 0.00 82 R 7.07 4.15 0.00 1.76 1.96 0.00 3.20 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 83 T 8.74 4.40 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 1.35 0.00 0.00 84 G 8.93 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 85 K 7.56 4.57 0.00 1.87 1.75 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.47 7.81 86 I 8.05 3.74 1.88 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 1.35 0.47 0.92 0.00 0.00 87 G 9.04 4.13 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 0.00 0.00 0.00 88 D 7.49 4.40 0.00 2.75 2.72 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 89 G 6.69 4.13 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 0.00 0.00 0.00 90 K 8.16 4.57 0.00 1.15 1.23 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.43 7.81 91 I 7.81 4.66 1.72 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 1.22 0.46 0.88 0.00 0.00 92 F 9.22 5.13 0.00 3.01 2.88 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 93 V 8.57 5.00 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 0.84 0.00 0.00 0.95 0.00 0.00 94 Q 9.05 4.73 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 95 E 8.78 4.46 0.00 1.85 1.88 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 2.32 2.25 0.00 96 V 8.07 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 0.85 0.00 0.00 0.94 0.00 0.00 97 E 9.06 4.21 0.00 2.12 2.06 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 0.00 2.27 2.32 0.00 98 Q 7.70 4.58 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 99 V 8.26 4.45 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 0.84 0.00 0.00 0.93 0.00 0.00 100 I 8.23 4.54 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 0.79 0.91 0.00 0.00 101 R 8.35 4.41 0.00 1.83 1.79 0.00 3.18 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 102 I 8.54 3.66 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 0.65 0.91 0.00 0.00 103 R 8.18 4.05 0.00 1.76 1.99 0.00 3.19 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 104 T 7.92 4.34 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 0.00 105 G 8.23 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.