NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 4.2412 8.2548 109.1065 45.0618 0.0000 174.9283 17 I 3.6066 7.3355 121.0915 63.8816 37.2552 175.4939 18 T 3.9534 7.8566 115.7119 63.3935 69.9467 174.5184 19 G 3.4643 7.1341 112.2173 44.8920 0.0000 170.7501 20 T 4.5563 7.4758 117.3771 61.3990 70.6959 174.0202 21 W 4.6117 8.5581 125.8622 54.8162 33.2993 174.0922 22 Y 5.3737 8.9565 118.9911 56.4352 41.1461 174.5923 23 E 5.2554 9.3481 124.2233 53.3995 32.0946 176.8374 24 Q 4.1381 8.7884 121.3121 58.5369 28.7677 177.0960 25 L 4.5090 8.2646 117.1470 54.4729 41.7729 177.1784 26 G 4.1127 8.2372 108.7344 45.1043 0.0000 174.9087 27 S 4.5875 9.0195 116.5780 59.0929 64.2563 173.4910 28 T 5.1941 8.8619 119.2697 61.6733 72.4620 173.0284 29 F 5.1063 9.0877 120.1905 55.1323 41.4882 173.4197 30 I 4.7037 8.5921 124.0989 59.6336 39.1020 175.1356 31 V 4.9469 8.5809 125.7132 60.3818 35.4055 173.9676 32 T 4.7945 9.3709 120.2272 61.7753 71.0972 173.0364 33 A 4.7466 8.4123 128.9791 50.8213 19.8988 177.3239 34 G 3.9817 9.2167 111.2614 44.9918 0.0000 174.0951 35 A 4.2179 8.9080 122.3592 55.2815 18.0643 179.0186 36 D 4.6724 8.0844 112.1002 53.3932 39.9544 177.1153 37 G 3.0526 7.8381 105.1163 45.9654 0.0000 173.4620 38 A 4.7254 7.8528 120.9558 50.8841 20.7589 176.6708 39 L 5.2950 9.0248 123.0844 53.4511 44.9364 175.4697 40 T 5.0512 9.0220 115.6518 59.7288 72.5242 174.3675 41 G 4.0799 7.2586 109.3374 46.4869 0.0000 170.9743 42 T 5.1492 7.8274 115.5785 61.9847 72.7500 172.5332 43 Y 5.0683 9.4587 127.0912 55.8190 41.6219 173.8638 44 E 4.9342 8.7564 126.9505 55.9258 32.8688 174.5932 *52 S 4.4296 9.0804 119.7010 57.0921 64.4218 174.3144 53 R 4.9406 8.2161 115.6813 54.2749 33.0430 175.2364 54 Y 4.8922 9.3164 118.1800 55.9829 42.3373 175.1479 55 V 4.1822 8.6458 122.9343 62.8983 32.4366 175.0246 56 L 5.1899 8.9403 127.1194 54.5280 43.9355 175.1076 57 T 4.8631 8.6969 113.9325 61.4967 71.4927 172.8788 58 G 4.7584 8.7403 112.8886 46.0218 0.0000 171.7042 59 R 5.5722 8.9159 117.6284 54.6405 34.3014 174.5331 60 Y 5.2670 8.7532 118.7166 55.2463 41.6003 174.4704 61 D 4.3560 8.9111 120.3735 54.0161 40.8858 176.6530 62 S 4.3213 8.2524 120.5660 58.7947 63.9589 174.6635 63 A 4.6842 8.5749 123.8828 50.5110 19.0021 173.9762 64 P 4.7051 0.0000 0.0000 60.6708 32.7981 177.0147 65 A 4.1883 8.3741 121.9959 53.1974 18.6466 177.6884 66 T 4.4206 8.2102 114.8299 64.4225 69.5078 176.2675 67 D 4.5478 8.0900 119.4621 53.5083 38.9009 176.8484 68 G 3.9262 8.3034 105.3195 47.0240 0.0000 174.7841 69 S 4.3476 8.3595 115.4680 57.7750 63.3720 174.2160 70 G 4.0971 8.2697 109.8137 45.9899 0.0000 172.9377 71 T 4.7791 8.6805 116.5617 61.4973 70.0730 174.8541 72 A 4.7516 8.6887 129.2900 52.4368 19.9256 175.8191 73 L 4.8526 9.1374 120.3697 55.6195 44.6170 173.6929 74 G 4.5101 9.0206 104.4096 45.8007 0.0000 172.3586 75 W 5.6209 8.1003 117.5487 55.8439 32.3326 173.2323 76 T 5.2588 9.2637 116.0487 61.8442 72.4477 173.5387 77 V 4.5965 8.6164 123.8700 61.0149 34.6654 173.8489 78 A 4.5151 8.3091 129.7025 49.5247 20.1815 177.9638 79 W 4.2356 7.9909 126.1092 55.9463 28.2497 176.5214 80 K 5.3338 7.8845 118.1262 54.8169 35.2044 174.6076 81 N 4.8889 9.2096 123.5858 52.3483 39.2843 174.3208 82 N 4.3474 8.9257 113.9208 55.2522 39.1145 175.0348 83 Y 4.4409 7.9060 115.4381 58.9687 39.7041 175.6124 84 R 4.7061 8.8778 114.5405 55.0824 32.7133 173.2353 85 N 5.3084 8.5249 115.6658 52.3174 41.2167 173.3952 86 A 4.4773 9.3842 127.9686 51.3288 19.8880 176.0341 87 H 4.2070 9.1079 114.4710 56.9504 27.1771 173.8250 88 S 5.2844 7.6295 110.7061 57.2392 67.2729 173.3130 89 A 4.9718 9.3491 121.2729 50.7623 22.9884 175.2129 90 T 4.8838 8.6035 117.0300 61.6667 72.2038 173.1848 91 T 4.9041 8.3958 115.7354 59.5873 71.7138 172.7963 92 W 5.0227 8.7761 125.5258 54.7661 31.8533 174.7806 93 S 4.8796 9.0719 119.2412 56.8370 65.0116 173.2365 94 G 4.8676 9.1612 112.7233 47.2981 0.0000 171.6697 95 Q 5.2882 8.3116 117.0735 55.0099 32.3669 173.2635 96 Y 4.6420 9.1832 123.6510 57.0809 40.6475 174.0791 97 V 4.2624 8.3770 126.5874 59.3996 34.4239 175.8769 98 G 3.8357 8.2509 117.0138 44.6404 0.0000 176.2506 99 G 4.1030 8.9885 113.8270 44.2565 0.0000 173.2971 100 A 3.7864 8.1698 120.2937 53.9710 18.4122 177.7863 101 E 4.4367 7.5393 115.4785 54.0455 30.4279 174.3357 102 A 5.2049 8.5232 126.3604 51.7717 19.6127 176.2107 103 R 5.2346 8.8198 114.9297 55.5602 33.6959 173.9780 104 I 5.0150 8.8964 120.7738 59.8059 40.4330 174.3454 105 N 5.3189 8.8962 125.5733 52.3023 40.1464 174.6902 106 T 5.2682 9.4513 113.7748 60.1341 72.9546 172.7086 107 Q 5.1852 8.8825 121.5853 54.0207 31.8863 174.7565 108 W 5.5244 8.7135 118.8622 54.6981 32.1911 173.8304 109 L 5.3098 8.6848 120.7667 52.9048 44.9929 175.2221 110 L 4.9352 9.3865 125.7128 53.7950 44.5864 174.8591 111 T 5.0768 8.8352 124.0973 62.0501 70.7901 173.9561 112 S 5.1592 8.4950 122.5358 56.5629 64.7820 174.5742 113 G 3.9082 8.6039 111.9214 46.8747 0.0000 172.8870 114 T 4.6187 8.1164 112.1600 60.3521 71.7928 173.1437 115 T 4.2255 8.1038 112.8311 60.7732 70.3237 175.5254 116 E 3.9337 8.8788 120.1768 59.7379 29.2059 179.5327 117 A 4.1914 8.1358 118.2499 54.3169 18.6505 178.0757 118 N 4.7636 7.7744 112.5105 52.8894 39.3120 176.2001 119 A 4.1170 8.5442 126.6952 54.1836 18.1430 180.0158 120 W 4.3463 8.3048 114.1072 58.2955 28.1813 176.6867 121 K 4.2558 6.6701 118.9630 56.2384 32.3072 177.0995 122 S 4.2583 8.0416 114.9640 60.4505 63.6489 173.2144 123 T 5.1339 7.5151 117.6238 61.8426 71.1453 173.4105 124 L 4.7358 9.0438 127.1772 53.5768 43.8815 176.0890 125 V 4.5311 7.9310 120.6351 60.2525 34.5852 174.7440 126 G 2.8123 6.9300 108.6061 45.4131 0.0000 171.0939 127 H 5.4105 7.8258 113.7262 54.0974 31.8759 172.7424 128 D 5.0092 9.6898 119.3193 53.2931 45.8303 174.3152 129 T 5.2103 9.1660 119.1992 61.9047 71.6442 172.9901 130 F 6.1380 9.7640 125.3185 55.6167 41.9086 174.9853 131 T 5.4935 8.7470 111.0450 60.0368 72.2407 174.7639 132 K 4.0484 8.9132 121.2713 57.5815 32.3217 177.1094 133 V 4.2782 7.4860 118.6352 60.4880 33.6903 174.6118 134 K 3.7666 8.0092 127.8351 54.5276 32.1806 174.7749 135 P 4.3961 0.0000 0.0000 63.0561 31.3245 176.1160 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 16 G 8.25 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 0.00 0.00 0.00 0.00 17 I 7.34 3.61 1.38 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 -0.14 0.57 0.00 0.00 18 T 7.86 3.95 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 1.18 0.00 0.00 19 G 7.13 3.46 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 0.00 20 T 7.48 4.56 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 0.77 0.00 0.00 21 W 8.56 4.61 0.00 2.26 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 22 Y 8.96 5.37 0.00 3.27 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 23 E 9.35 5.26 0.00 1.27 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 2.11 2.29 0.00 24 Q 8.79 4.14 0.00 2.24 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.06 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 25 L 8.26 4.51 0.00 1.99 1.77 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.24 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 27 S 9.02 4.59 0.00 4.22 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 0.00 28 T 8.86 5.19 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 1.01 0.00 0.00 29 F 9.09 5.11 0.00 2.89 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 30 I 8.59 4.70 1.79 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 1.12 0.86 0.82 0.00 0.00 31 V 8.58 4.95 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 0.47 0.00 0.00 0.86 0.00 0.00 32 T 9.37 4.79 4.21 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 1.18 0.00 0.00 33 A 8.41 4.75 0.73 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 0.00 0.00 34 G 9.22 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 35 A 8.91 4.22 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 36 D 8.08 4.67 0.00 2.75 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 37 G 7.84 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 0.00 0.00 0.00 38 A 7.85 4.73 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 39 L 9.02 5.30 0.00 1.92 1.58 0.78 0.94 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 40 T 9.02 5.05 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 1.22 0.00 0.00 41 G 7.26 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 42 T 7.83 5.15 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 1.26 0.00 0.00 43 Y 9.46 5.07 0.00 2.87 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 44 E 8.76 4.93 0.00 2.06 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 2.24 2.27 0.00 *52 S 9.08 4.43 0.00 3.90 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.22 4.94 0.00 1.78 1.90 0.00 3.14 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 54 Y 9.32 4.89 0.00 2.73 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 55 V 8.65 4.18 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 0.80 0.00 0.00 0.95 0.00 0.00 56 L 8.94 5.19 0.00 1.91 1.69 0.72 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.70 4.86 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 1.24 0.00 0.00 58 G 8.74 4.76 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 59 R 8.92 5.57 0.00 1.77 1.81 0.00 3.27 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 60 Y 8.75 5.27 0.00 2.93 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 61 D 8.91 4.36 0.00 2.84 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 62 S 8.25 4.32 0.00 3.86 3.37 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 63 A 8.57 4.68 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 64 P 0.00 4.71 0.00 2.27 2.17 0.00 3.46 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 65 A 8.37 4.19 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 66 T 8.21 4.42 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 1.23 0.00 0.00 67 D 8.09 4.55 0.00 2.78 2.77 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 68 G 8.30 3.93 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 0.00 69 S 8.36 4.35 0.00 3.93 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 70 G 8.27 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 71 T 8.68 4.78 4.52 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 72 A 8.69 4.75 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 73 L 9.14 4.85 0.00 1.98 1.93 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.02 4.51 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 75 W 8.10 5.62 0.00 3.47 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 76 T 9.26 5.26 4.27 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 1.19 0.00 0.00 77 V 8.62 4.60 1.49 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 -0.34 0.00 0.00 0.88 0.00 0.00 78 A 8.31 4.52 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 79 W 7.99 4.24 0.00 3.40 2.96 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 80 K 7.88 5.33 0.00 1.94 1.72 0.00 1.79 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.48 7.81 81 N 9.21 4.89 0.00 2.86 2.68 0.00 0.00 6.65 6.50 0.00 0.00 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 N 8.93 4.35 0.00 2.39 2.63 0.00 0.00 6.64 7.46 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 83 Y 7.91 4.44 0.00 3.05 3.01 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 84 R 8.88 4.71 0.00 1.99 2.10 0.00 2.83 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 85 N 8.52 5.31 0.00 2.68 2.64 0.00 0.00 6.83 7.96 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 86 A 9.38 4.48 1.25 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 0.00 0.00 87 H 9.11 4.21 0.00 3.31 3.33 0.00 5.59 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.63 5.28 0.00 3.94 3.93 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 89 A 9.35 4.97 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 90 T 8.60 4.88 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 -0.56 0.00 0.00 91 T 8.40 4.90 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 1.12 0.00 0.00 92 W 8.78 5.02 0.00 1.78 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 93 S 9.07 4.88 0.00 3.77 3.64 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 94 G 9.16 4.87 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 0.00 0.00 0.00 95 Q 8.31 5.29 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 96 Y 9.18 4.64 0.00 3.03 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 97 V 8.38 4.26 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 0.84 0.00 0.00 0.90 0.00 0.00 98 G 8.25 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 99 G 8.99 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 0.00 100 A 8.17 3.79 1.30 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 0.00 0.00 101 E 7.54 4.44 0.00 1.71 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 0.00 2.25 2.33 0.00 102 A 8.52 5.20 1.49 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 0.00 103 R 8.82 5.23 0.00 2.07 2.15 0.00 2.74 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 104 I 8.90 5.02 1.91 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 -0.36 1.13 0.00 0.00 105 N 8.90 5.32 0.00 2.76 2.82 0.00 0.00 6.08 6.44 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 0.00 106 T 9.45 5.27 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 1.47 0.00 0.00 107 Q 8.88 5.19 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 108 W 8.71 5.52 0.00 2.65 2.51 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 0.00 109 L 8.68 5.31 0.00 1.53 1.53 0.87 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.39 4.94 0.00 1.53 1.69 0.93 0.51 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 0.00 111 T 8.84 5.08 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 1.24 0.00 0.00 112 S 8.49 5.16 0.00 3.71 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.60 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 0.00 0.00 0.00 114 T 8.12 4.62 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 1.16 0.00 0.00 115 T 8.10 4.23 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 0.00 116 E 8.88 3.93 0.00 2.10 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 2.42 2.46 0.00 117 A 8.14 4.19 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 0.00 118 N 7.77 4.76 0.00 2.68 2.62 0.00 0.00 6.69 7.29 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 0.00 119 A 8.54 4.12 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 0.00 120 W 8.30 4.35 0.00 3.61 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 0.00 121 K 6.67 4.26 0.00 1.21 0.74 0.00 1.14 0.00 0.00 1.11 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.30 0.58 7.81 122 S 8.04 4.26 0.00 4.16 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 0.00 123 T 7.52 5.13 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 1.19 0.00 0.00 124 L 9.04 4.74 0.00 1.76 1.76 0.96 0.49 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 0.00 125 V 7.93 4.53 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 0.55 0.00 0.00 0.73 0.00 0.00 126 G 6.93 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 0.00 0.00 0.00 127 H 7.83 5.41 0.00 3.18 3.11 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.69 5.01 0.00 3.18 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 0.00 129 T 9.17 5.21 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 1.42 0.00 0.00 130 F 9.76 6.14 0.00 3.10 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 0.00 131 T 8.75 5.49 4.41 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 1.40 0.00 0.00 132 K 8.91 4.05 0.00 1.52 1.57 0.00 1.21 0.00 0.00 0.82 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.51 7.81 133 V 7.49 4.28 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 0.95 0.00 0.00 134 K 8.01 3.77 0.00 0.79 1.26 0.00 1.25 0.00 0.00 1.48 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.15 1.01 7.81 135 P 0.00 4.40 0.00 2.23 2.04 0.00 3.83 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 * Residues marked with a * may have inaccurate shift predictions.