NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3915 8.1927 115.2900 57.8237 63.2959 174.0032 4 K 3.7631 8.6963 129.8465 58.7498 32.3310 177.0832 5 R 3.7591 8.8256 119.7608 58.9908 31.0170 176.9947 6 N 4.6067 7.7470 114.0085 55.1880 39.3095 175.8805 7 K 4.0104 7.4964 116.8907 55.8941 32.5602 175.5281 8 P 4.5576 0.0000 0.0000 63.0854 32.0169 175.1550 9 G 3.9451 7.5931 106.5330 45.3807 0.0000 172.4209 10 K 4.2683 7.9148 117.2947 53.6697 35.1418 176.4044 11 A 4.0940 8.1039 124.5273 52.5628 19.2429 177.2030 12 T 4.5745 8.1872 110.6986 60.9385 72.0879 171.2722 13 G 4.2755 8.7851 115.2141 45.5243 0.0000 173.9295 14 K 3.8786 8.6212 123.8437 57.7103 32.4057 177.5952 15 G 3.8692 8.5442 103.7746 44.2117 0.0000 171.9843 16 K 4.6769 7.8070 116.2637 53.7480 35.8488 174.1806 17 P 4.6205 0.0000 0.0000 62.0775 32.5643 175.8593 18 V 4.4590 7.9025 114.7994 60.2747 36.1102 173.0735 19 G 4.1873 8.2393 109.4934 45.2203 0.0000 172.9315 20 D 4.3000 9.0294 118.2163 55.8293 39.7806 177.1206 21 K 4.4571 7.2941 120.7690 54.1920 30.4264 175.0762 22 W 4.7880 8.1349 116.7940 56.0476 30.3811 177.9141 23 L 3.6401 7.2484 118.5700 56.2443 41.6172 178.2830 24 D 4.3888 8.1261 117.7854 57.4039 40.5660 176.9104 25 D 4.7115 8.0323 116.4348 54.3489 41.3922 177.8235 26 A 4.3085 8.5100 125.8201 54.6116 18.8492 179.6751 27 G 4.3743 7.9814 102.4268 45.3528 0.0000 173.2336 28 K 4.6169 7.6656 118.1048 55.5693 36.2427 176.8071 29 D 4.1281 8.7148 123.5387 54.9397 40.4484 175.1631 30 S 4.1135 9.0734 119.2519 63.6883 62.5426 174.0577 31 G 4.1534 7.7184 103.8299 41.5709 0.0000 172.1859 32 A 4.4689 8.5305 123.6918 50.0361 19.5876 176.5222 33 P 4.8181 0.0000 0.0000 62.5848 33.7321 176.8870 34 I 4.3674 7.6677 111.2563 61.3988 37.1289 178.4823 *48 K 4.3382 8.6544 117.7579 54.7555 33.7943 175.6314 49 S 5.3125 7.6764 116.4398 56.8332 64.4244 177.9085 50 F 3.8251 8.1746 124.8707 61.6224 38.6955 177.3508 51 D 4.5522 8.4473 117.1179 56.8862 40.9339 177.1492 52 D 4.7252 8.9156 119.3903 55.5469 41.8051 178.5291 53 F 4.2002 8.0173 121.0221 60.8838 39.4681 177.1955 54 R 3.3625 7.6579 118.1772 58.9912 29.8894 178.0250 55 K 4.0872 8.2729 120.0141 59.0828 31.9766 178.3236 56 A 4.0638 7.5861 119.4495 54.6249 18.4344 179.5668 57 V 3.2282 7.0569 117.2989 65.7775 31.7739 178.0967 58 W 4.5805 7.8784 117.7342 58.7932 28.5668 178.1741 59 E 4.3418 8.6816 119.6052 58.5938 28.6908 177.9462 60 E 4.0565 7.9068 116.9203 57.3789 29.6489 178.5060 61 V 3.6942 7.1712 117.7275 65.5054 31.6698 177.6626 62 S 4.3646 8.0246 113.2705 61.0325 63.3356 175.8229 63 K 4.4056 7.5036 119.6430 56.1252 32.1578 176.1760 64 D 4.5372 7.2712 118.9491 51.7405 40.9578 174.1946 65 P 4.3232 0.0000 0.0000 62.2736 31.4143 176.3868 *76 K 4.4569 8.6383 123.2337 56.5919 33.9234 178.7890 77 S 4.2277 8.0813 113.0491 62.1012 63.0209 175.6109 78 S 4.2102 8.3921 117.9740 60.4082 62.3804 176.3775 79 V 3.7993 7.7986 114.5244 65.3902 31.5745 178.8487 80 S 4.1837 7.7151 113.4783 61.2017 62.7735 176.1174 81 K 4.2684 7.9796 118.7124 56.1702 31.9676 177.2199 82 G 3.9695 8.0599 108.0078 45.8690 0.0000 174.1374 83 Y 4.1951 7.1901 116.1437 57.6262 38.5250 175.3946 84 S 2.8020 8.1550 116.7719 56.6649 63.2264 172.2001 85 P 4.3054 0.0000 0.0000 62.4490 32.3826 175.8489 86 F 4.5219 8.6312 120.4969 58.1456 39.8131 174.8597 87 T 4.2441 8.1009 112.4034 59.2257 71.1057 172.5433 88 P 4.3463 0.0000 0.0000 62.4908 31.6981 177.5488 89 K 3.8480 8.7510 122.0228 59.5846 32.1300 178.3080 90 N 4.5843 8.0125 113.2829 54.2533 37.9509 175.2709 91 Q 4.4249 7.9373 117.6884 55.8150 29.0725 174.7924 92 Q 4.6239 7.3779 116.3404 54.2045 30.5745 175.7390 93 V 4.2139 8.3510 121.2635 61.4991 33.5608 177.1682 94 G 4.1861 8.3759 119.5829 46.9732 0.0000 173.2414 95 G 3.8090 9.0292 112.1750 45.5074 0.0000 172.7951 96 R 4.5502 8.3181 121.0600 54.5023 31.1995 176.8837 97 K 4.6049 8.4198 118.9902 55.8372 35.4175 175.6958 98 V 4.7295 7.1406 111.0041 58.0763 34.9420 174.7801 99 Y 4.4473 7.7882 119.0607 58.3425 38.5834 175.8245 100 E 4.7849 9.3713 122.2733 54.8101 33.4200 175.4938 101 L 4.9937 8.8215 124.7054 53.7945 41.1579 174.8835 102 H 4.3372 9.2674 123.6784 55.8450 31.4168 173.7854 103 A 4.6410 8.2800 127.6729 50.7830 18.6368 176.0831 104 D 4.5451 8.6587 121.5412 58.0833 41.6409 177.4334 105 K 4.2888 8.7137 125.4716 53.7628 32.0437 174.0172 106 P 4.4862 0.0000 0.0000 63.0407 31.6639 177.5551 107 I 4.2620 8.5481 121.0081 64.1078 37.3093 177.6373 108 S 4.1734 8.1501 113.5117 60.8582 63.1939 175.0824 109 Q 4.4575 7.9831 119.5394 54.2862 27.8022 174.1858 110 G 4.1232 8.1876 106.7685 45.3539 0.0000 173.5238 111 G 4.1100 7.9770 108.3016 45.2323 0.0000 172.1685 112 E 4.4327 8.6795 123.9871 55.2996 30.1642 177.1318 113 V 3.2512 8.5848 124.6277 66.1202 31.3959 176.4633 114 Y 4.3102 7.6850 114.8359 57.8072 37.8882 175.7644 115 D 4.8679 7.9579 122.5897 53.5535 38.6416 176.5496 116 M 3.7361 8.2688 122.4670 57.6489 32.9668 176.9611 117 D 4.6321 9.8755 117.3046 56.0977 42.0181 177.2706 118 N 4.5111 9.6173 118.6033 55.8074 39.3091 174.7993 119 I 4.5319 7.7744 119.2144 61.2535 38.0454 175.6942 120 R 4.8013 9.2156 126.5174 54.1228 33.0106 175.4488 121 V 4.4002 9.2138 125.4923 63.2498 32.6557 175.0002 122 T 5.7926 9.7432 117.9297 59.1579 73.1032 172.3863 123 T 4.8335 8.1817 110.1169 59.0826 71.7814 173.3365 124 P 4.2339 0.0000 0.0000 66.0189 31.4254 178.7902 125 K 3.9598 7.8932 117.7958 59.3080 31.7782 178.8163 126 R 3.8327 7.6747 118.5363 59.7204 29.7322 177.6131 127 H 4.2850 8.5271 118.3704 59.6064 29.5562 176.8861 128 I 3.7301 7.5840 119.7299 65.3088 37.0660 177.3297 129 D 4.3049 8.2092 117.2814 57.2652 40.5993 179.0855 130 I 3.6984 7.5649 120.8119 64.8489 37.5862 175.6932 131 H 4.3356 7.6971 119.3915 56.0804 28.4308 175.3281 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 3 S 8.19 4.39 0.00 3.87 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 4 K 8.70 3.76 0.00 1.92 1.72 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.55 7.81 5 R 8.83 3.76 0.00 1.69 1.88 0.00 3.12 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 6 N 7.75 4.61 0.00 2.90 2.88 0.00 0.00 7.00 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 7 K 7.50 4.01 0.00 1.75 1.80 0.00 1.72 0.00 0.00 1.95 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.42 7.81 8 P 0.00 4.56 0.00 2.17 2.17 0.00 3.83 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 9 G 7.59 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 10 K 7.91 4.27 0.00 1.60 1.58 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.22 1.27 7.81 11 A 8.10 4.09 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 12 T 8.19 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 1.20 0.00 0.00 13 G 8.79 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 0.00 0.00 0.00 0.00 14 K 8.62 3.88 0.00 1.76 1.89 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.62 7.81 15 G 8.54 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 0.00 0.00 0.00 16 K 7.81 4.68 0.00 1.73 1.67 0.00 1.60 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.39 7.81 17 P 0.00 4.62 0.00 2.15 2.02 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 18 V 7.90 4.46 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 0.81 0.00 0.00 0.90 0.00 0.00 19 G 8.24 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 0.00 0.00 0.00 0.00 20 D 9.03 4.30 0.00 2.87 2.87 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 21 K 7.29 4.46 0.00 1.84 1.85 0.00 1.83 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.44 1.54 7.81 22 W 8.13 4.79 0.00 3.55 3.31 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 23 L 7.25 3.64 0.00 1.33 1.26 0.45 -0.47 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 24 D 8.13 4.39 0.00 2.67 2.76 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 25 D 8.03 4.71 0.00 2.78 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 26 A 8.51 4.31 1.46 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 27 G 7.98 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 0.00 0.00 0.00 0.00 28 K 7.67 4.62 0.00 1.72 1.70 0.00 1.94 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.34 1.51 7.81 29 D 8.71 4.13 0.00 2.76 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 0.00 0.00 0.00 0.00 30 S 9.07 4.11 0.00 3.99 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 31 G 7.72 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 32 A 8.53 4.47 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 33 P 0.00 4.82 0.00 2.23 2.16 0.00 3.81 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 34 I 7.67 4.37 1.78 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 1.52 0.59 0.93 0.00 0.00 *48 K 8.65 4.34 0.00 2.06 1.98 0.00 1.87 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.44 7.81 49 S 7.68 5.31 0.00 4.16 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 50 F 8.17 3.83 0.00 3.04 3.18 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 51 D 8.45 4.55 0.00 2.79 2.80 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 52 D 8.92 4.73 0.00 2.89 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 53 F 8.02 4.20 0.00 3.22 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 54 R 7.66 3.36 0.00 1.89 1.90 0.00 3.40 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.69 0.00 55 K 8.27 4.09 0.00 1.81 1.88 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.20 7.81 56 A 7.59 4.06 1.28 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 0.00 0.00 57 V 7.06 3.23 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 0.07 0.00 0.00 -0.07 0.00 0.00 58 W 7.88 4.58 0.00 3.52 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 59 E 8.68 4.34 0.00 1.96 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 2.29 2.38 0.00 60 E 7.91 4.06 0.00 1.99 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 2.30 2.36 0.00 61 V 7.17 3.69 2.59 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 1.29 0.00 0.00 1.12 0.00 0.00 62 S 8.02 4.36 0.00 4.10 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 63 K 7.50 4.41 0.00 1.57 1.88 0.00 1.87 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.61 7.81 64 D 7.27 4.54 0.00 2.84 2.50 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 0.00 0.00 0.00 0.00 65 P 0.00 4.32 0.00 2.08 2.01 0.00 3.74 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 2.01 2.10 0.00 *76 K 8.64 4.46 0.00 1.88 1.93 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.52 7.81 77 S 8.08 4.23 0.00 3.88 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 78 S 8.39 4.21 0.00 3.84 3.73 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 79 V 7.80 3.80 2.42 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 1.00 0.00 0.00 1.06 0.00 0.00 80 S 7.72 4.18 0.00 3.99 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 0.00 81 K 7.98 4.27 0.00 1.89 1.87 0.00 1.87 0.00 0.00 1.89 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.52 7.81 82 G 8.06 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 83 Y 7.19 4.20 0.00 2.92 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 84 S 8.16 2.80 0.00 3.65 3.51 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 85 P 0.00 4.31 0.00 2.20 2.05 0.00 2.20 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.61 0.00 86 F 8.63 4.52 0.00 2.88 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 87 T 8.10 4.24 3.90 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 0.00 0.00 0.45 0.00 0.00 88 P 0.00 4.35 0.00 2.29 2.03 0.00 3.58 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 2.14 2.11 0.00 89 K 8.75 3.85 0.00 1.71 1.78 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.34 7.81 90 N 8.01 4.58 0.00 2.84 2.91 0.00 0.00 5.97 7.39 0.00 0.00 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 Q 7.94 4.42 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 92 Q 7.38 4.62 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.49 0.00 93 V 8.35 4.21 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 1.01 0.00 0.00 0.93 0.00 0.00 94 G 8.38 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 0.00 0.00 0.00 0.00 95 G 9.03 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 96 R 8.32 4.55 0.00 1.94 2.01 0.00 3.08 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 97 K 8.42 4.60 0.00 1.90 1.98 0.00 1.74 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.62 1.53 7.81 98 V 7.14 4.73 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 0.31 0.00 0.00 0.82 0.00 0.00 99 Y 7.79 4.45 0.00 2.87 3.11 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 0.00 100 E 9.37 4.78 0.00 1.89 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 101 L 8.82 4.99 0.00 1.88 1.90 0.99 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 102 H 9.27 4.34 0.00 3.13 3.30 0.00 5.76 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 0.00 103 A 8.28 4.64 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 0.00 104 D 8.66 4.55 0.00 2.79 3.09 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 0.00 0.00 0.00 105 K 8.71 4.29 0.00 1.81 1.81 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.35 7.81 106 P 0.00 4.49 0.00 2.22 2.16 0.00 3.73 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 107 I 8.55 4.26 1.79 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.55 0.85 0.00 0.00 108 S 8.15 4.17 0.00 3.95 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 0.00 109 Q 7.98 4.46 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.66 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 110 G 8.19 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 0.00 111 G 7.98 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 0.00 112 E 8.68 4.43 0.00 2.04 1.91 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 2.38 2.28 0.00 113 V 8.58 3.25 1.72 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 0.04 0.00 0.00 0.76 0.00 0.00 114 Y 7.69 4.31 0.00 3.08 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 D 7.96 4.87 0.00 2.71 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 0.00 116 M 8.27 3.74 0.00 2.25 2.30 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.62 0.00 117 D 9.88 4.63 0.00 3.00 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 0.00 118 N 9.62 4.51 0.00 2.91 2.90 0.00 0.00 7.11 7.59 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 0.00 119 I 7.77 4.53 2.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.75 1.07 0.00 0.00 120 R 9.22 4.80 0.00 1.72 1.87 0.00 3.35 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 121 V 9.21 4.40 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 0.94 0.00 0.00 1.03 0.00 0.00 122 T 9.74 5.79 4.29 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 1.26 0.00 0.00 123 T 8.18 4.83 4.38 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 1.32 0.00 0.00 124 P 0.00 4.23 0.00 2.33 2.18 0.00 3.64 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 2.13 2.32 0.00 125 K 7.89 3.96 0.00 1.79 1.98 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.45 7.81 126 R 7.67 3.83 0.00 2.11 2.06 0.00 3.24 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.74 0.00 127 H 8.53 4.29 0.00 3.35 3.46 0.00 5.67 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 0.00 128 I 7.58 3.73 2.04 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 1.78 0.89 0.91 0.00 0.00 129 D 8.21 4.30 0.00 2.80 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 7.56 3.70 2.05 0.00 0.00 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 1.27 0.45 0.84 0.00 0.00 131 H 7.70 4.34 0.00 3.30 3.21 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 * Residues marked with a * may have inaccurate shift predictions.