NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 R 4.3631 8.2549 119.0726 56.2936 30.8509 174.8110 14 I 4.3919 7.5294 120.5196 59.4501 40.3450 174.7003 *15 H 4.8742 8.8155 121.2195 52.5005 31.8254 170.7692 16 L 4.5452 8.1278 124.2332 52.5144 43.9370 176.1511 17 R 4.1321 8.3174 123.3923 55.1624 30.1328 175.7252 18 P 4.5053 0.0000 0.0000 64.4479 31.3462 178.1047 19 G 3.7239 7.7939 105.4493 47.3572 0.0000 175.6766 20 S 4.2025 7.9121 115.6318 60.8648 63.1256 175.6125 21 L 4.0721 7.5878 123.1970 54.7603 39.6935 179.2383 22 R 4.2654 7.7434 115.1484 59.0635 31.9547 175.7850 23 G 4.1329 9.3427 113.3320 44.2863 0.0000 172.7960 24 A 3.8861 6.9042 119.7083 52.0923 19.1365 176.9552 25 A 4.4697 8.4149 122.7457 50.6308 20.3443 175.2336 26 P 4.8784 0.0000 0.0000 62.8870 32.0621 175.8032 27 A 4.8285 9.0730 125.0362 49.9443 21.9897 175.3401 28 K 4.3710 8.6607 122.1931 55.3073 33.5235 175.6754 29 L 4.7869 8.5728 126.9600 53.3909 44.4511 174.8950 30 H 5.1521 8.9581 121.0605 53.9951 31.3098 174.2430 31 L 4.4510 8.6990 124.6439 53.3605 43.9092 175.3564 32 L 4.6727 8.1909 126.8762 52.8173 43.5594 175.4443 33 P 4.7216 0.0000 0.0000 62.7540 31.4799 175.6242 34 C 4.6067 7.7172 112.0843 57.5081 32.4553 173.1020 35 D 4.4619 8.5330 122.7372 52.7407 40.7237 176.0063 36 V 3.8921 8.0645 128.0021 62.2387 31.4071 176.4356 37 L 4.3366 8.4621 127.0267 55.6938 41.9235 177.1460 38 V 4.3668 7.2139 117.4647 60.6417 33.9772 175.1978 39 S 4.2491 8.7626 123.6565 58.4834 63.3890 173.6436 40 R 4.3289 7.9134 121.4857 55.0657 32.2791 172.1032 41 P 4.4316 0.0000 0.0000 63.0961 32.0142 175.5782 42 A 4.5364 7.8185 119.3857 51.1164 21.9839 175.7302 43 P 4.7134 0.0000 0.0000 62.9305 31.3420 179.0514 44 V 3.4949 7.9503 120.3323 66.4357 31.8608 176.7448 45 D 4.6629 8.0895 116.1191 55.3003 41.2604 177.3251 46 R 4.1942 8.7785 119.6838 57.6002 30.6560 176.9284 47 F 4.6844 8.1037 114.9141 59.2550 40.8577 176.9468 48 F 4.7362 8.3483 119.6737 60.2903 39.4075 177.2421 49 T 3.7582 8.4696 115.0099 66.6063 68.5303 174.5032 50 P 4.3756 0.0000 0.0000 63.9726 31.3990 177.0102 51 A 4.2718 8.0354 121.3293 53.2245 19.4579 177.8920 52 V 3.8708 7.4961 117.0725 63.0887 31.4309 175.8643 53 R 4.7889 8.6724 126.1340 54.7449 34.0266 174.1439 54 H 5.0349 8.6478 117.4592 54.5865 31.1067 173.8597 55 D 4.5767 8.3819 119.4075 52.1099 41.9772 174.4275 56 A 4.0060 8.6871 121.1584 55.2106 18.1914 177.3154 57 D 4.7529 7.4848 113.3948 52.4898 42.3863 175.5926 58 G 4.1185 7.6668 105.3157 47.7748 0.0000 172.8452 59 L 4.6086 7.4403 113.8704 53.6968 46.3841 173.6873 60 Q 5.2414 8.3698 120.5044 54.5586 31.3734 174.0382 61 A 4.6197 7.7975 118.9591 51.8093 21.9565 175.2972 62 S 5.2897 8.6594 114.3037 57.1219 65.3123 173.6004 63 F 4.8331 9.0487 124.1402 58.6579 42.3049 174.3455 64 R 3.3706 9.4065 125.5351 56.9196 27.3728 177.3033 65 G 3.9429 8.3762 104.9285 45.3310 0.0000 174.1072 66 R 4.4222 7.7625 119.7789 54.6500 31.5997 175.8425 67 G 4.1004 8.5724 109.8056 46.1697 0.0000 172.2497 68 L 5.5578 9.0637 124.6657 52.9138 45.5564 175.7042 69 R 5.1157 9.0771 121.2648 54.4120 33.6328 174.9448 70 G 4.5919 9.2631 110.3924 44.3683 0.0000 171.2641 71 E 5.0659 8.8299 120.2731 53.9506 33.2874 174.5283 72 E 4.4618 8.7657 126.5554 56.2143 30.9940 175.8811 73 V 4.3086 8.0543 123.6170 61.0623 35.0790 173.7482 74 A 4.7337 8.2608 128.9263 50.0066 20.6406 176.9101 75 V 3.6690 8.5352 122.0894 62.2492 32.2797 174.3768 76 P 4.2912 0.0000 0.0000 61.9414 31.8591 174.0636 77 P 4.3197 0.0000 0.0000 64.3565 31.5968 176.7039 78 G 3.9680 9.1102 108.5449 45.8197 0.0000 172.2312 79 F 4.7523 7.8720 116.9884 55.5739 42.7146 173.7830 80 A 4.5401 8.3284 121.3861 50.8820 21.8762 176.1801 81 G 3.9210 8.6823 109.5436 45.4117 0.0000 172.8709 82 F 5.4827 8.4815 121.4027 55.7638 43.0608 174.8262 83 V 4.1539 8.3631 123.0553 61.3760 34.4391 174.9534 *85 V 3.9936 8.0600 119.9192 61.3564 31.1228 175.6967 86 T 3.7756 8.5856 120.7917 64.4168 67.2091 173.3863 87 E 4.4419 8.6711 120.7533 54.9094 30.0896 172.0433 88 E 4.8119 7.6417 127.8703 55.0617 26.4714 177.7606 89 K 4.4307 7.8999 126.8811 56.6091 34.8647 178.1254 90 G 3.4858 9.3647 112.0263 43.2238 0.0000 168.9240 91 E 3.5671 8.7150 130.1821 54.3776 27.6129 176.6470 92 G 3.7076 9.2392 115.1600 44.9939 0.0000 171.6706 93 L 4.5849 9.0210 129.4644 55.7075 43.6851 175.9707 94 I 4.3343 7.1703 116.6068 61.0454 39.9235 178.1348 95 G 4.5940 8.9511 106.3400 46.2180 0.0000 172.0435 96 K 4.9259 8.8902 122.3722 56.2759 35.9353 176.8926 97 L 4.5896 8.7013 123.0661 55.5056 43.3883 175.7919 98 N 5.4539 7.9874 112.7442 51.5410 40.8074 174.0102 99 F 5.1418 8.1497 114.5325 55.1425 41.9898 173.9499 100 S 4.7124 8.7972 118.0179 58.6117 64.2815 173.4893 101 G 4.4747 9.7160 112.9402 44.9457 0.0000 172.0826 102 D 5.5248 8.7479 126.6151 53.0653 42.7879 175.9484 103 A 4.7502 8.8376 122.2332 50.9821 23.6445 174.1225 104 E 4.6871 8.7483 117.1943 56.3183 30.7841 178.2487 105 D 4.4074 9.0618 122.7867 55.5573 41.0442 174.1446 106 K 4.6424 9.1910 115.2145 53.9191 35.7752 175.8548 107 A 4.0782 8.7463 125.7568 55.8927 18.1369 179.8108 108 D 4.8291 8.2736 113.9689 54.3121 37.6638 178.1242 109 E 4.3320 8.0304 116.7725 54.8795 30.1022 182.7033 110 A 3.4104 9.2653 119.4713 54.2778 18.9983 177.6199 111 Q 4.5218 8.3805 113.2269 53.5467 33.9188 173.4958 112 E 4.6823 8.2554 121.5872 53.3491 33.2566 174.3763 113 P 3.9580 0.0000 0.0000 65.4884 31.4569 178.3638 114 L 4.0106 7.7278 117.8601 58.0092 41.6296 177.9067 115 E 4.6128 7.9846 115.3631 56.5868 30.5171 177.0934 116 R 4.3803 6.7778 119.1985 56.2315 29.4456 179.5930 *136 L 4.1411 8.3751 132.0077 55.1850 41.2813 176.7050 137 W 4.0295 9.0485 132.1008 57.8371 30.5940 176.8333 138 G 3.8163 8.3550 107.1530 45.6089 0.0000 169.4794 139 L 3.7479 8.5574 124.7963 55.2496 41.7471 174.1561 140 E 4.4308 8.1092 118.4849 56.2154 32.4329 174.1137 141 T 4.2691 8.4379 118.3390 64.4959 69.6480 173.8091 142 V 3.9558 8.1002 119.6609 63.7301 32.9043 175.6406 143 P 3.7059 0.0000 0.0000 63.7476 28.5042 175.4284 144 G 4.0163 8.7658 111.0501 45.6542 0.0000 172.5505 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 13 R 8.25 4.36 0.00 1.85 1.84 0.00 3.17 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 14 I 7.53 4.39 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 1.27 1.20 0.90 0.00 0.00 *15 H 8.82 4.87 0.00 2.89 2.79 0.00 7.15 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.13 4.55 0.00 1.48 1.50 0.79 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.32 4.13 0.00 2.00 2.01 0.00 3.00 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.59 0.00 18 P 0.00 4.51 0.00 2.21 2.17 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 19 G 7.79 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 0.00 0.00 0.00 20 S 7.91 4.20 0.00 3.89 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 21 L 7.59 4.07 0.00 0.45 0.87 0.56 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.74 4.27 0.00 1.80 1.72 0.00 3.26 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.17 0.00 23 G 9.34 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 24 A 6.90 3.89 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 25 A 8.41 4.47 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 26 P 0.00 4.88 0.00 1.96 2.01 0.00 3.64 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 2.04 2.11 0.00 27 A 9.07 4.83 1.19 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 0.00 0.00 28 K 8.66 4.37 0.00 1.81 1.78 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.42 7.81 29 L 8.57 4.79 0.00 1.65 1.49 0.91 1.11 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 30 H 8.96 5.15 0.00 2.96 3.28 0.00 5.65 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 31 L 8.70 4.45 0.00 1.36 1.43 0.77 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.19 4.67 0.00 1.63 1.38 0.29 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.72 0.00 2.20 2.15 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.88 0.00 34 C 7.72 4.61 0.00 3.18 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 35 D 8.53 4.46 0.00 2.65 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.06 3.89 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 0.97 0.00 0.00 0.94 0.00 0.00 37 L 8.46 4.34 0.00 1.67 1.69 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.21 4.37 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 0.79 0.00 0.00 0.92 0.00 0.00 39 S 8.76 4.25 0.00 3.89 3.77 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 0.00 0.00 0.00 40 R 7.91 4.33 0.00 1.70 1.73 0.00 3.24 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.48 0.00 41 P 0.00 4.43 0.00 2.09 2.00 0.00 3.77 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 2.04 2.10 0.00 42 A 7.82 4.54 1.18 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 43 P 0.00 4.71 0.00 2.59 2.22 0.00 3.72 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.19 0.00 44 V 7.95 3.49 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 1.16 0.00 0.00 0.95 0.00 0.00 45 D 8.09 4.66 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 46 R 8.78 4.19 0.00 1.70 2.03 0.00 3.13 0.00 0.00 2.71 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.41 0.00 47 F 8.10 4.68 0.00 3.16 3.16 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 48 F 8.35 4.74 0.00 3.02 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 49 T 8.47 3.76 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 1.22 0.00 0.00 50 P 0.00 4.38 0.00 2.01 2.07 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.06 0.00 51 A 8.04 4.27 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 52 V 7.50 3.87 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 0.62 0.00 0.00 0.49 0.00 0.00 53 R 8.67 4.79 0.00 1.79 1.75 0.00 3.18 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 54 H 8.65 5.03 0.00 3.00 3.19 0.00 5.71 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.38 4.58 0.00 2.73 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.69 4.01 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 57 D 7.48 4.75 0.00 2.70 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 58 G 7.67 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 0.00 0.00 0.00 59 L 7.44 4.61 0.00 1.50 1.57 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 8.37 5.24 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.98 0.00 0.00 0.00 0.00 0.00 2.48 2.17 0.00 61 A 7.80 4.62 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.66 5.29 0.00 3.94 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 9.05 4.83 0.00 3.12 2.95 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 64 R 9.41 3.37 0.00 1.44 1.65 0.00 3.12 0.00 0.00 2.77 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.91 0.00 65 G 8.38 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 0.00 0.00 0.00 66 R 7.76 4.42 0.00 2.04 1.88 0.00 3.11 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 67 G 8.57 4.10 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 0.00 0.00 0.00 68 L 9.06 5.56 0.00 1.84 1.65 1.21 0.99 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 69 R 9.08 5.12 0.00 1.83 1.79 0.00 3.23 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.79 0.00 70 G 9.26 4.59 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 71 E 8.83 5.07 0.00 2.06 1.73 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 2.16 2.24 0.00 72 E 8.77 4.46 0.00 1.97 1.76 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 2.24 2.28 0.00 73 V 8.05 4.31 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 0.29 0.00 0.00 0.84 0.00 0.00 74 A 8.26 4.73 1.14 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 0.00 0.00 75 V 8.54 3.67 2.13 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 0.86 0.00 0.00 1.02 0.00 0.00 76 P 0.00 4.29 0.00 1.78 1.75 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.95 0.00 77 P 0.00 4.32 0.00 2.22 2.08 0.00 3.79 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 1.98 0.00 78 G 9.11 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 0.00 0.00 0.00 79 F 7.87 4.75 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.33 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.68 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.48 5.48 0.00 2.94 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 83 V 8.36 4.15 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 1.00 0.00 0.00 0.96 0.00 0.00 *85 V 8.06 3.99 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 0.74 0.00 0.00 0.93 0.00 0.00 86 T 8.59 3.78 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 87 E 8.67 4.44 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 88 E 7.64 4.81 0.00 2.03 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 2.11 2.04 0.00 89 K 7.90 4.43 0.00 1.67 1.95 0.00 1.90 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.37 7.81 90 G 9.36 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.72 3.57 0.00 2.17 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 2.12 1.86 0.00 92 G 9.24 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 9.02 4.58 0.00 1.60 1.86 0.94 0.99 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 94 I 7.17 4.33 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 1.28 0.32 0.91 0.00 0.00 95 G 8.95 4.59 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 96 K 8.89 4.93 0.00 1.85 2.03 0.00 1.20 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.43 7.81 97 L 8.70 4.59 0.00 1.34 1.69 0.92 0.43 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 98 N 7.99 5.45 0.00 2.56 2.65 0.00 0.00 5.79 7.43 0.00 0.00 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 F 8.15 5.14 0.00 3.29 3.13 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 0.00 100 S 8.80 4.71 0.00 3.81 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 0.00 101 G 9.72 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 0.00 0.00 0.00 0.00 102 D 8.75 5.52 0.00 2.81 2.70 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 0.00 103 A 8.84 4.75 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.75 4.69 0.00 1.95 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 2.37 2.36 0.00 105 D 9.06 4.41 0.00 2.80 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 0.00 106 K 9.19 4.64 0.00 1.70 1.66 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.49 7.81 107 A 8.75 4.08 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 0.00 108 D 8.27 4.83 0.00 2.90 3.28 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 0.00 109 E 8.03 4.33 0.00 2.01 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 2.23 1.89 0.00 110 A 9.27 3.41 1.24 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 0.00 111 Q 8.38 4.52 0.00 1.90 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.76 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 112 E 8.26 4.68 0.00 1.94 1.70 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 2.23 2.30 0.00 113 P 0.00 3.96 0.00 2.17 2.21 0.00 3.60 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 114 L 7.73 4.01 0.00 1.65 1.77 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 115 E 7.98 4.61 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 2.29 2.30 0.00 116 R 6.78 4.38 0.00 1.54 0.66 0.00 2.49 0.00 0.00 2.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.29 0.00 *136 L 8.38 4.14 0.00 1.79 1.76 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 137 W 9.05 4.03 0.00 3.26 3.12 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 0.00 138 G 8.36 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 L 8.56 3.75 0.00 1.95 1.81 0.96 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 140 E 8.11 4.43 0.00 1.94 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 2.23 2.36 0.00 141 T 8.44 4.27 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 0.00 142 V 8.10 3.96 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 0.77 0.00 0.00 0.94 0.00 0.00 143 P 0.00 3.71 0.00 2.12 2.24 0.00 3.56 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 144 G 8.77 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 * Residues marked with a * may have inaccurate shift predictions.