NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *12 F 4.5821 8.3244 119.0062 56.7726 39.8282 174.0627 13 E 4.0832 8.6122 117.5670 59.6080 30.0703 175.9935 14 L 4.4099 8.8326 125.5096 52.7966 41.6462 176.7679 15 R 3.9268 8.4089 122.4340 59.0543 30.3892 176.2615 16 P 4.2975 0.0000 0.0000 65.4003 31.2412 178.7070 17 V 3.6406 7.9009 117.2849 65.8581 31.2828 178.1235 18 I 3.8225 7.7901 119.8044 64.2832 36.7031 178.6262 19 G 3.7049 7.9435 105.1378 47.6589 0.0000 175.4153 20 L 4.1673 7.7699 120.2836 57.0387 41.9263 178.6346 21 T 4.4927 7.7162 107.7848 60.6830 69.1627 173.9506 22 R 4.0157 6.9935 121.1782 59.8323 29.9267 175.9543 23 G 4.0806 8.9537 112.9884 45.3748 0.0000 173.1769 24 L 4.3619 7.9614 120.1583 54.0014 42.8189 177.2112 25 S 4.5672 8.2114 115.6334 57.7568 65.6314 175.2154 26 S 4.1103 8.7857 119.2041 62.0588 62.6192 177.0941 27 A 4.0130 7.9629 122.6476 55.3966 18.2504 179.3243 28 D 4.3186 7.7882 116.1852 57.4783 40.8016 179.0023 29 I 3.6811 7.9146 120.4421 64.4272 37.0567 178.1164 30 E 3.8025 8.5021 120.3759 59.3156 29.3825 178.9945 31 T 3.8519 7.7280 115.7162 66.5685 68.4852 176.5445 32 L 3.9672 7.9630 120.7571 58.1909 41.6863 179.7503 33 T 3.7877 8.1360 115.6342 66.4411 68.3174 176.6480 34 A 3.9669 8.3783 123.0983 55.2580 18.3642 179.4188 35 N 4.2633 8.3294 114.8651 56.3996 38.5126 177.4737 36 A 3.9783 8.1967 122.2433 55.2613 18.5056 179.8125 37 I 3.6784 7.8448 118.2871 64.5759 37.2888 178.9290 38 R 3.9470 8.0514 119.0270 59.0415 29.8484 178.8862 39 L 4.2098 8.2050 121.8682 57.8569 42.1000 178.3561 40 H 4.4501 8.3939 119.7768 58.8689 29.7525 177.4387 41 R 3.8320 7.9432 119.6209 59.3440 29.3769 179.1168 42 Q 4.0262 8.0107 117.5969 58.8812 28.6982 178.7538 43 L 4.0693 8.1023 120.1602 57.4450 41.5956 179.5960 44 L 3.8990 7.8286 119.1289 57.7634 41.6257 179.0070 45 E 3.9313 8.1286 119.2560 59.0543 29.5194 178.7228 46 K 3.8975 8.2930 119.4790 59.6456 32.3345 178.6448 47 A 4.1582 8.0830 120.8799 55.1976 18.3151 179.4444 48 D 4.3903 8.1647 117.5500 57.7033 41.0465 178.8597 49 Q 4.0723 8.1751 118.5135 59.0908 28.5146 179.0222 50 L 4.1747 7.8278 118.7527 57.8291 41.4507 179.0665 51 F 3.7733 8.4893 120.6570 60.9933 39.0086 177.2245 52 Q 3.9541 7.8333 116.7092 59.0593 28.6615 178.7698 53 V 3.6055 7.1592 116.3013 64.6498 31.9167 176.4630 54 L 3.8395 6.5581 116.5986 54.2937 42.1715 175.4488 55 P 4.3402 0.0000 0.0000 62.2710 32.1262 177.2413 56 D 4.2452 8.7277 121.5816 57.7392 40.6084 178.8344 57 D 4.2755 8.0119 117.9294 57.2812 40.7513 178.2942 58 I 4.3387 7.7419 121.7831 63.4173 37.0602 178.2800 59 K 3.8185 7.7202 117.5817 59.7279 31.9749 179.0083 60 I 3.9487 7.8017 119.1357 62.8367 37.0128 177.3121 61 G 4.0846 7.6006 108.4265 46.2436 0.0000 175.2141 62 T 4.0573 7.8106 112.9632 62.7153 69.1672 178.8935 63 A 4.7169 8.2026 122.7125 50.3335 22.2384 174.6803 64 A 4.8665 8.5681 122.8700 50.5550 22.3980 175.9192 65 G 3.8878 8.6684 105.1720 45.0160 0.0000 173.7248 66 G 4.0535 8.6334 104.4822 44.8419 0.0000 174.5089 67 E 3.9128 8.9348 120.5271 59.3085 29.6663 179.1081 68 Q 4.0055 8.0528 119.0333 59.4668 29.1586 177.5724 69 H 4.3803 8.2001 118.8272 59.2777 29.9664 177.0730 70 L 3.9697 8.1261 120.9027 57.6858 41.4359 179.0746 71 E 3.9211 8.3392 119.3470 59.4014 29.5921 178.2739 72 Y 4.1545 7.9808 119.1303 60.8315 38.8295 178.0284 73 I 3.4927 7.9642 120.7332 64.4036 37.1272 178.3296 74 E 3.8940 8.4403 119.3894 59.1968 29.2826 179.1914 75 A 3.9395 7.9886 120.8868 55.3603 18.3280 179.6880 76 M 3.8543 7.7148 117.1409 58.5016 31.9214 179.0388 77 I 3.7047 7.8453 120.1607 64.3131 37.2115 178.1367 78 E 3.8851 8.3279 120.2880 59.2633 29.2288 178.4760 79 M 3.9640 7.7252 117.2123 59.0497 32.5732 177.6245 80 H 4.2881 8.4641 116.3736 58.7614 28.9350 177.6199 81 A 3.9805 8.2769 122.8377 55.3668 18.1349 179.5582 82 Q 3.9931 8.3074 117.7485 59.2858 28.9624 178.2455 83 M 4.0991 7.8515 119.8718 58.0316 31.8441 178.6575 84 S 4.0894 8.0263 113.9511 60.9321 63.0295 176.6039 85 A 3.8731 7.8097 124.6121 55.0196 18.2223 179.3712 86 V 3.4816 7.7753 116.2140 66.5806 31.6213 177.7995 87 N 4.3032 8.3832 116.1063 56.6251 38.1802 177.6580 88 T 3.9025 7.7426 116.8301 66.5794 68.5018 176.9471 89 L 3.9659 8.0960 121.0915 57.5581 41.5149 179.7266 90 V 3.5428 7.9913 118.5182 65.9469 31.3036 178.4088 91 G 3.5912 7.7942 103.6108 47.2395 0.0000 174.8935 92 L 4.3128 7.2544 120.1491 56.6837 42.1185 178.4530 93 L 4.0275 7.8944 120.4403 56.7684 42.1382 177.8607 94 G 4.1490 9.2010 105.6878 45.0167 0.0000 172.5603 95 F 4.6202 6.8072 111.7723 56.2077 39.9356 173.4491 96 I 4.0660 8.4181 122.9222 59.4466 37.0071 174.4700 97 P 4.6625 0.0000 0.0000 62.5853 32.1628 177.1234 98 K 4.2743 8.4496 121.4592 54.6255 32.2278 175.9013 99 V 4.3510 7.8566 116.8059 62.7835 33.7466 175.7060 100 S 4.2645 8.1771 119.8396 58.7849 63.7122 174.0524 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 *12 F 8.32 4.58 0.00 2.32 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 0.00 0.00 0.00 0.00 13 E 8.61 4.08 0.00 1.96 2.11 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 2.23 2.44 0.00 14 L 8.83 4.41 0.00 1.69 1.59 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.41 3.93 0.00 1.80 2.00 0.00 3.29 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 16 P 0.00 4.30 0.00 2.14 2.10 0.00 3.53 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 17 V 7.90 3.64 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 1.01 0.00 0.00 0.96 0.00 0.00 18 I 7.79 3.82 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.97 0.90 0.00 0.00 19 G 7.94 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 20 L 7.77 4.17 0.00 1.82 1.74 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.72 4.49 4.23 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 1.24 0.00 0.00 22 R 6.99 4.02 0.00 2.01 2.07 0.00 3.23 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 23 G 8.95 4.08 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 0.00 0.00 0.00 24 L 7.96 4.36 0.00 1.67 1.60 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.21 4.57 0.00 4.05 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 26 S 8.79 4.11 0.00 3.93 4.07 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 27 A 7.96 4.01 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 28 D 7.79 4.32 0.00 2.87 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 29 I 7.91 3.68 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.82 0.85 0.00 0.00 30 E 8.50 3.80 0.00 2.04 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 0.00 2.31 2.29 0.00 31 T 7.73 3.85 4.44 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 1.21 0.00 0.00 32 L 7.96 3.97 0.00 1.85 1.69 0.90 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 33 T 8.14 3.79 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 1.09 0.00 0.00 34 A 8.38 3.97 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 35 N 8.33 4.26 0.00 2.89 2.87 0.00 0.00 6.95 7.15 0.00 0.00 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 A 8.20 3.98 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 37 I 7.84 3.68 2.00 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 1.50 1.10 0.92 0.00 0.00 38 R 8.05 3.95 0.00 2.02 1.98 0.00 3.13 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 39 L 8.20 4.21 0.00 1.80 1.84 0.92 1.05 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 40 H 8.39 4.45 0.00 3.39 3.50 0.00 5.88 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.94 3.83 0.00 2.08 1.94 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 42 Q 8.01 4.03 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 43 L 8.10 4.07 0.00 1.79 1.67 0.91 0.47 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 44 L 7.83 3.90 0.00 1.77 1.64 0.83 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.13 3.93 0.00 2.15 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 2.31 2.37 0.00 46 K 8.29 3.90 0.00 2.01 1.96 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.53 7.81 47 A 8.08 4.16 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 48 D 8.16 4.39 0.00 3.01 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 49 Q 8.18 4.07 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.76 0.00 50 L 7.83 4.17 0.00 2.09 1.95 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.49 3.77 0.00 3.18 3.19 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 0.00 0.00 0.00 0.00 52 Q 7.83 3.95 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.77 0.00 0.00 0.00 0.00 0.00 2.71 2.56 0.00 53 V 7.16 3.61 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 0.80 0.00 0.00 1.00 0.00 0.00 54 L 6.56 3.84 0.00 1.22 1.27 0.16 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.34 0.00 2.09 1.90 0.00 3.50 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 56 D 8.73 4.25 0.00 2.63 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 57 D 8.01 4.28 0.00 2.66 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.74 4.34 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.60 0.00 0.00 59 K 7.72 3.82 0.00 1.71 1.80 0.00 1.53 0.00 0.00 1.40 0.00 0.00 2.60 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.43 1.31 7.81 60 I 7.80 3.95 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 1.45 0.62 0.91 0.00 0.00 61 G 7.60 4.08 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 0.00 0.00 0.00 62 T 7.81 4.06 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 63 A 8.20 4.72 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 64 A 8.57 4.87 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 65 G 8.67 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 0.00 0.00 0.00 66 G 8.63 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 0.00 0.00 0.00 67 E 8.93 3.91 0.00 2.06 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 2.39 2.38 0.00 68 Q 8.05 4.01 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 69 H 8.20 4.38 0.00 3.28 3.56 0.00 5.92 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.13 3.97 0.00 1.91 1.71 0.93 0.59 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 71 E 8.34 3.92 0.00 2.08 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 0.00 2.37 2.35 0.00 72 Y 7.98 4.15 0.00 3.19 3.26 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 73 I 7.96 3.49 1.99 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.65 0.86 0.00 0.00 74 E 8.44 3.89 0.00 2.12 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 2.30 2.56 0.00 75 A 7.99 3.94 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.71 3.85 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.80 0.00 77 I 7.85 3.70 1.95 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 1.38 0.86 0.89 0.00 0.00 78 E 8.33 3.89 0.00 2.07 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 2.29 2.30 0.00 79 M 7.73 3.96 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.67 0.00 80 H 8.46 4.29 0.00 3.30 3.30 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.28 3.98 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 82 Q 8.31 3.99 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 83 M 7.85 4.10 0.00 2.04 2.26 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.41 0.00 84 S 8.03 4.09 0.00 4.05 4.12 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 85 A 7.81 3.87 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 86 V 7.78 3.48 2.15 0.00 0.00 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 0.94 0.00 0.00 87 N 8.38 4.30 0.00 2.73 2.83 0.00 0.00 7.13 7.47 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 88 T 7.74 3.90 4.35 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 1.23 0.00 0.00 89 L 8.10 3.97 0.00 1.77 1.65 0.89 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.99 3.54 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 1.03 0.00 0.00 0.89 0.00 0.00 91 G 7.79 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.25 4.31 0.00 1.69 1.70 0.90 0.98 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 93 L 7.89 4.03 0.00 1.42 1.59 0.71 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 94 G 9.20 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 F 6.81 4.62 0.00 3.13 2.98 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 96 I 8.42 4.07 1.93 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 1.50 0.86 0.92 0.00 0.00 97 P 0.00 4.66 0.00 2.19 1.95 0.00 3.66 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.82 0.00 98 K 8.45 4.27 0.00 1.80 1.64 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 0.99 7.81 99 V 7.86 4.35 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 1.00 0.00 0.00 1.00 0.00 0.00 100 S 8.18 4.26 0.00 3.84 3.68 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 * Residues marked with a * may have inaccurate shift predictions.