NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 N 4.6860 8.2833 118.2059 52.3887 38.7876 175.2603 10 T 3.4273 7.6326 116.8958 66.6611 68.3323 173.8094 11 D 4.3069 8.9629 121.0325 57.8928 41.4147 178.0913 12 E 4.1132 8.0244 117.8163 59.3073 29.6387 178.8685 13 L 4.0432 7.5314 118.8423 58.1411 41.7492 179.6246 14 K 3.8892 8.1117 117.6911 60.1824 31.8467 178.7408 15 Q 3.8345 7.4623 114.8276 59.9862 28.7655 179.4725 16 K 3.9206 8.5427 121.2918 58.8347 32.4924 177.8538 17 Y 4.7421 8.2230 113.9990 57.6337 39.0951 175.8415 18 G 3.9790 9.5150 115.2468 43.3904 0.0000 173.5935 19 R 4.4190 8.1193 121.8626 53.8710 32.3243 175.3225 20 V 4.9344 8.1408 123.4497 61.3710 34.4941 174.2406 21 Y 4.8717 9.1507 121.5866 56.2973 41.8262 174.0619 22 E 4.9792 9.1257 124.3138 54.9648 32.0333 175.3237 23 I 4.6091 8.7302 126.1530 59.7961 41.0165 174.8721 24 R 4.7202 8.7698 126.4322 56.0888 31.2228 176.3143 25 I 4.8360 9.3188 122.7929 59.9714 42.0059 174.2245 26 E 4.7617 8.4734 124.0543 55.4706 32.7972 173.6345 27 G 3.8932 8.2917 113.8259 45.9806 0.0000 174.0334 *36 A 4.3286 7.0478 121.1270 50.8929 20.1316 175.7192 37 E 4.3579 7.7861 116.8655 54.5940 31.5947 176.1524 38 F 4.7338 9.1340 124.2142 55.6116 43.5113 174.0855 39 V 4.4851 7.9004 121.4335 61.3570 33.8454 174.3504 40 F 5.2927 8.6873 126.0029 55.0585 42.8807 174.1635 41 Y 5.9440 7.9958 116.1143 55.5518 42.2809 174.6561 42 F 5.3398 8.7204 119.3191 55.8548 43.7407 174.2780 43 T 4.4186 8.8839 120.0859 63.3300 69.0545 174.3657 44 R 3.6474 8.0981 125.1646 56.3987 30.3652 174.8006 45 P 4.4834 0.0000 0.0000 62.4088 32.3424 175.3961 46 K 4.6148 9.0571 121.5854 54.1395 34.9050 177.2218 47 V 3.5454 8.4611 123.0889 66.5032 31.3362 178.4745 48 S 4.1170 8.0873 114.0016 61.9666 62.7007 176.1031 49 D 4.4387 8.1001 121.2968 57.5306 40.4284 179.3211 50 I 3.8111 7.5117 119.7093 64.1897 37.4004 177.8893 51 S 4.1281 8.2774 115.6073 61.8107 62.6338 176.4029 52 R 3.8638 7.8781 122.4704 59.0036 29.7147 177.8545 53 F 4.1607 8.5493 120.5185 62.0130 39.0257 177.2572 54 T 3.9140 8.0065 114.1386 66.0061 68.0779 176.9628 55 K 4.0804 8.3542 120.9977 59.6833 32.1811 179.2867 56 E 3.7220 8.0216 118.4614 59.0549 29.1387 178.7919 57 L 3.5023 7.5928 120.0343 58.1725 41.8929 178.6809 58 N 4.4728 7.2850 114.8065 56.0499 38.9336 177.1689 59 S 4.2957 7.8793 112.5382 59.9218 64.2406 174.6618 60 K 4.5691 7.9436 122.3056 52.8071 31.8453 175.0607 61 P 4.2549 0.0000 0.0000 65.2479 31.3576 177.8393 62 D 4.5017 8.2299 118.9333 57.3121 38.9144 178.5947 63 M 4.2060 10.6600 119.7719 56.1836 32.1165 178.3698 64 A 4.0700 8.4155 121.9039 55.7637 18.5331 179.6750 65 M 4.2774 7.8427 116.2998 58.2635 32.1225 178.7545 66 K 3.9473 8.0182 119.6457 60.0024 32.2093 178.6191 67 N 4.5637 8.3018 115.1187 56.2318 38.6754 176.7269 68 L 4.0358 7.9744 121.9982 58.2646 42.1600 178.7567 69 T 3.7051 7.9362 114.7678 67.1007 68.3931 176.4997 70 F 4.4246 8.2828 117.9338 59.4900 38.9850 176.8677 71 S 4.7641 8.0943 112.9712 58.5216 63.3491 174.3414 72 C 4.7895 7.8642 119.2541 59.6897 30.5187 173.9726 73 I 3.4039 7.8220 119.5710 60.8989 37.9180 175.7564 74 V 3.3134 7.8967 121.0346 60.6834 31.9815 175.4328 75 P 3.6802 0.0000 0.0000 65.7021 31.2287 177.7842 76 E 3.8980 7.6844 119.9442 59.7098 29.1833 178.0326 77 Q 4.4113 9.0477 117.9673 56.5470 28.9596 176.8049 78 E 4.0483 8.0820 120.3927 59.1715 29.5737 178.3266 79 E 3.9975 8.1898 119.1974 59.1999 30.0932 177.4935 80 E 4.0762 8.4199 118.8939 59.6472 29.4924 178.7321 81 L 3.6634 7.8825 119.5549 58.1781 42.0292 179.1564 82 R 4.2604 7.9226 117.8888 59.1350 29.8872 178.7502 83 Q 4.0043 8.8856 119.5818 59.3646 29.0480 178.4710 84 A 4.1307 8.1165 121.4554 54.9480 17.9412 179.4899 85 A 4.0178 8.3744 119.7767 55.2022 18.2779 179.3375 86 E 3.9524 7.7852 116.3516 59.7463 29.9077 178.8804 87 E 4.3172 8.5269 116.8900 57.9629 30.7849 177.6752 88 F 4.7167 8.8661 118.4502 54.1842 40.1632 172.0759 89 P 4.4184 0.0000 0.0000 63.2671 31.6636 177.9324 90 G 3.9465 8.8493 107.2572 45.9817 0.0000 175.0727 91 L 4.1357 7.9062 122.4095 58.4165 42.1146 178.9290 92 T 4.2571 7.8821 110.4689 63.8228 68.1527 175.6506 93 F 3.9051 8.4707 123.5378 61.4748 39.1197 176.6058 94 N 4.3642 8.4224 116.5094 56.7179 38.7528 176.7257 95 T 3.7929 7.7659 110.0533 64.8113 69.5431 176.8802 96 A 3.5925 7.7639 124.7009 54.2869 18.2690 179.4784 97 S 3.7826 7.4442 110.3767 61.5709 62.3108 176.2880 98 R 3.9013 7.0457 121.2912 58.6286 29.9143 178.1808 99 L 3.7662 8.3951 119.8312 57.8903 41.5232 179.4125 100 M 3.7590 7.6209 118.3219 58.5067 31.5383 178.5270 101 E 4.5711 8.8579 120.9814 58.7547 29.3102 179.3416 102 I 3.8392 7.4751 117.9358 63.5533 38.1797 177.8708 103 V 3.8307 7.5301 112.3324 61.9873 31.6548 177.9296 104 G 4.9112 7.5811 119.1438 46.6473 0.0000 171.9656 105 A 3.9675 7.2869 122.8771 53.3229 17.6585 176.2212 106 S 4.5674 7.8638 116.5577 58.8550 66.9485 175.6386 107 A 3.9822 8.6395 123.6339 53.2754 18.3563 176.7741 108 A 4.6620 8.1186 123.2635 51.2825 22.4230 174.4284 109 T 4.8096 8.0207 113.6888 62.5213 72.4078 173.5747 110 S 4.7070 8.1475 116.2913 57.9336 66.7159 174.4564 111 L 4.4540 8.2519 122.0580 54.8908 45.5595 176.0664 112 K 4.2050 8.8489 121.7216 56.6323 31.3690 176.2095 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 9 N 8.28 4.69 0.00 2.93 3.05 0.00 0.00 6.11 6.34 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 10 T 7.63 3.43 4.14 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 1.14 0.00 0.00 11 D 8.96 4.31 0.00 2.74 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 12 E 8.02 4.11 0.00 2.01 1.93 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 2.36 2.36 0.00 13 L 7.53 4.04 0.00 1.65 1.73 0.40 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.11 3.89 0.00 2.02 1.84 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.44 7.81 15 Q 7.46 3.83 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 16 K 8.54 3.92 0.00 1.48 1.52 0.00 1.46 0.00 0.00 1.09 0.00 0.00 2.17 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.45 1.10 7.81 17 Y 8.22 4.74 0.00 3.06 2.93 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 18 G 9.52 3.98 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 0.00 0.00 0.00 19 R 8.12 4.42 0.00 1.81 2.04 0.00 3.04 0.00 0.00 3.48 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 20 V 8.14 4.93 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 0.90 0.00 0.00 1.01 0.00 0.00 21 Y 9.15 4.87 0.00 3.11 2.92 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 22 E 9.13 4.98 0.00 2.31 1.96 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 1.93 2.23 0.00 23 I 8.73 4.61 2.09 0.00 0.00 0.62 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 0.95 0.95 0.00 0.00 24 R 8.77 4.72 0.00 1.69 1.98 0.00 3.30 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 25 I 9.32 4.84 2.04 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.80 0.95 0.00 0.00 26 E 8.47 4.76 0.00 1.76 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 2.17 2.32 0.00 27 G 8.29 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 *36 A 7.05 4.33 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 37 E 7.79 4.36 0.00 1.84 1.64 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 2.10 2.36 0.00 38 F 9.13 4.73 0.00 2.91 2.41 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 39 V 7.90 4.49 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 0.47 0.00 0.00 0.82 0.00 0.00 40 F 8.69 5.29 0.00 3.02 2.37 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 41 Y 8.00 5.94 0.00 2.86 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 42 F 8.72 5.34 0.00 3.09 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 43 T 8.88 4.42 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 1.26 0.00 0.00 44 R 8.10 3.65 0.00 2.04 1.95 0.00 3.18 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 45 P 0.00 4.48 0.00 1.93 1.82 0.00 3.41 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.84 0.00 46 K 9.06 4.61 0.00 1.67 1.62 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.49 7.81 47 V 8.46 3.55 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 1.09 0.00 0.00 0.93 0.00 0.00 48 S 8.09 4.12 0.00 3.92 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 49 D 8.10 4.44 0.00 2.81 2.71 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 50 I 7.51 3.81 2.02 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.71 0.93 0.00 0.00 51 S 8.28 4.13 0.00 4.03 4.17 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 0.00 0.00 0.00 0.00 52 R 7.88 3.86 0.00 2.01 2.31 0.00 3.15 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.68 0.00 53 F 8.55 4.16 0.00 3.18 3.21 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 54 T 8.01 3.91 4.43 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 1.21 0.00 0.00 55 K 8.35 4.08 0.00 1.88 1.83 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.67 7.81 56 E 8.02 3.72 0.00 1.94 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 2.30 2.28 0.00 57 L 7.59 3.50 0.00 1.24 1.47 0.28 0.82 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 58 N 7.28 4.47 0.00 2.53 2.81 0.00 0.00 6.98 7.45 0.00 0.00 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 7.88 4.30 0.00 3.83 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 60 K 7.94 4.57 0.00 1.80 1.86 0.00 1.73 0.00 0.00 2.02 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.32 7.81 61 P 0.00 4.25 0.00 2.25 2.41 0.00 3.80 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 2.07 2.03 0.00 62 D 8.23 4.50 0.00 3.00 3.03 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 0.00 0.00 0.00 63 M 10.66 4.21 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.70 0.00 64 A 8.42 4.07 0.80 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 0.00 0.00 65 M 7.84 4.28 0.00 2.32 2.38 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.73 0.00 66 K 8.02 3.95 0.00 1.98 1.93 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.76 1.94 7.81 67 N 8.30 4.56 0.00 2.94 2.94 0.00 0.00 7.08 7.37 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 68 L 7.97 4.04 0.00 1.92 1.85 0.74 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 69 T 7.94 3.71 4.19 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 0.94 0.00 0.00 70 F 8.28 4.42 0.00 3.20 3.05 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 71 S 8.09 4.76 0.00 4.04 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 72 C 7.86 4.79 0.00 3.11 3.27 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 73 I 7.82 3.40 1.68 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.46 1.03 0.00 0.00 74 V 7.90 3.31 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 0.27 0.00 0.00 0.94 0.00 0.00 75 P 0.00 3.68 0.00 2.29 2.39 0.00 3.51 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.15 0.00 76 E 7.68 3.90 0.00 2.25 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 0.00 2.40 2.39 0.00 77 Q 9.05 4.41 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.57 0.00 0.00 0.00 0.00 0.00 2.71 2.51 0.00 78 E 8.08 4.05 0.00 2.17 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 2.38 2.51 0.00 79 E 8.19 4.00 0.00 2.17 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 2.41 2.48 0.00 80 E 8.42 4.08 0.00 2.22 2.29 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 2.81 2.65 0.00 81 L 7.88 3.66 0.00 1.28 1.73 -0.11 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 82 R 7.92 4.26 0.00 1.94 2.01 0.00 3.06 0.00 0.00 2.73 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 83 Q 8.89 4.00 0.00 2.34 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 84 A 8.12 4.13 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 85 A 8.37 4.02 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 86 E 7.79 3.95 0.00 2.10 2.20 0.00 0.00 0.00 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 2.44 0.00 87 E 8.53 4.32 0.00 2.43 2.25 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 2.43 2.58 0.00 88 F 8.87 4.72 0.00 3.14 2.99 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 89 P 0.00 4.42 0.00 2.18 2.10 0.00 3.36 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 90 G 8.85 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 91 L 7.91 4.14 0.00 2.09 1.59 0.81 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 92 T 7.88 4.26 4.31 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 1.11 0.00 0.00 93 F 8.47 3.91 0.00 3.18 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.42 4.36 0.00 3.08 2.77 0.00 0.00 7.02 6.73 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 95 T 7.77 3.79 3.79 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 0.00 0.00 1.16 0.00 0.00 96 A 7.76 3.59 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 97 S 7.44 3.78 0.00 3.76 3.86 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 98 R 7.05 3.90 0.00 1.80 1.79 0.00 3.17 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.47 0.00 99 L 8.40 3.77 0.00 1.46 1.32 0.32 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 100 M 7.62 3.76 0.00 1.82 1.96 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.19 0.00 101 E 8.86 4.57 0.00 1.88 1.95 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 2.36 2.22 0.00 102 I 7.48 3.84 1.74 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.38 0.52 0.00 0.00 103 V 7.53 3.83 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 0.71 0.00 0.00 0.86 0.00 0.00 104 G 7.58 4.91 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 0.00 0.00 0.00 105 A 7.29 3.97 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 0.00 106 S 7.86 4.57 0.00 3.78 3.74 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 0.00 107 A 8.64 3.98 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 0.00 108 A 8.12 4.66 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.02 4.81 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 0.00 110 S 8.15 4.71 0.00 3.81 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 0.00 111 L 8.25 4.45 0.00 1.56 1.52 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.85 4.21 0.00 1.81 2.13 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.37 7.81 * Residues marked with a * may have inaccurate shift predictions.