NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.1810 8.0932 114.8059 57.7230 64.5038 174.1648 2 L 4.0537 8.3897 121.0525 57.7165 41.0656 178.8035 3 L 4.0224 8.5724 120.7949 57.8503 41.8375 179.0301 4 E 4.0662 8.0027 118.0790 59.1567 29.4814 178.8866 5 F 4.7065 8.5478 120.8968 61.5145 39.5351 177.3136 6 G 3.5997 8.4343 105.5079 47.8172 0.0000 175.5212 7 K 4.0508 7.9663 122.1084 59.1658 32.1229 178.6199 8 M 4.0755 8.3605 118.7907 58.6491 32.1709 178.2064 9 I 3.5344 7.6299 119.8076 64.2035 37.2252 177.9723 10 L 4.3777 7.6310 122.2627 57.7428 41.6932 178.8357 11 E 3.9763 7.9891 116.8022 59.3945 29.5004 178.8552 12 E 4.0798 8.3140 118.4091 59.1771 29.9262 178.1015 13 T 4.4024 8.5079 107.4332 61.1698 70.2768 175.7624 14 G 3.8051 8.2518 110.3350 45.4962 0.0000 173.0907 *16 K 4.5012 7.4529 117.7082 56.0251 33.4411 174.8555 17 L 4.4145 8.1730 121.8787 54.0247 42.3108 177.6290 18 A 4.1687 8.8795 127.3150 54.6587 18.4337 176.9191 19 I 4.6430 7.6886 115.9808 59.3187 38.6560 173.5048 20 P 4.8656 0.0000 0.0000 62.5855 31.5704 176.5129 21 S 4.2995 7.7755 116.2444 60.9163 62.6939 174.7756 22 Y 4.6941 8.6299 116.3685 57.4532 38.2921 176.1471 23 S 4.9426 8.1980 114.0985 58.2351 64.9450 174.6380 24 S 4.9403 7.8500 117.1478 57.6034 62.8116 172.5802 25 Y 4.9953 8.4371 121.9633 57.9032 41.2260 175.2114 26 G 3.3412 7.9575 115.9863 47.2851 0.0000 173.8496 27 C 4.6025 9.8559 117.7635 57.4544 41.1598 173.9974 28 Y 4.2288 8.6092 115.2376 57.9923 39.9863 175.2163 29 C 4.6567 8.3398 117.7044 60.1059 39.4595 171.4939 30 G 4.6341 8.8053 111.8019 44.2430 0.0000 170.7403 31 W 4.1036 9.1220 129.9941 56.8090 30.9061 176.4932 32 G 4.0836 7.7421 113.9552 44.1369 0.0000 172.1359 33 G 4.3692 7.1222 105.3287 44.6704 0.0000 173.0809 34 K 4.5050 6.8054 116.8055 56.0945 36.8622 178.2513 35 G 3.8367 8.6513 109.7122 44.8179 0.0000 172.1155 36 T 4.3361 7.5922 115.6805 61.2779 69.4207 173.4956 37 P 4.6184 0.0000 0.0000 62.7243 31.9065 176.8412 38 K 3.8814 8.7584 122.5537 59.1603 32.2935 176.0555 39 D 4.4558 7.2884 115.5657 51.2279 42.0289 175.0837 40 A 3.9830 8.8411 119.8061 56.1113 18.0220 179.8042 41 T 4.0047 8.0275 113.5566 67.0508 68.5751 176.2153 42 D 4.5648 8.8398 119.9910 57.3644 41.1403 178.5038 43 R 4.0023 8.3440 119.1664 59.1431 30.0250 178.1858 44 C 4.2089 8.2981 116.5492 60.3557 37.3523 175.6068 45 C 4.3714 8.2763 118.0431 59.6825 39.7985 175.8037 46 F 3.7068 8.2504 122.3770 61.3137 38.8857 177.3314 47 V 3.2607 7.9546 117.8652 66.0366 31.2104 177.4013 48 H 3.8112 8.0810 117.8655 59.1875 29.7161 176.7578 49 D 4.1756 8.2118 120.9797 57.7341 40.4659 178.3153 50 C 4.0445 7.5892 115.5092 59.9519 39.2158 175.0869 51 C 4.2704 8.1537 120.3202 60.0494 39.7681 175.3539 52 Y 4.2152 8.0605 118.3898 60.9571 37.1402 178.7669 53 G 3.7028 7.9106 105.7035 47.1601 0.0000 174.5767 54 N 4.6886 7.8001 116.5201 53.4198 40.1187 175.1740 55 L 4.8050 7.2829 119.5643 52.4222 42.2188 174.6396 56 P 4.1876 0.0000 0.0000 65.6272 32.3487 178.4962 *59 D 4.9028 7.8734 115.3975 54.3578 42.5466 175.3685 *61 C 5.2931 7.6221 116.2197 57.3043 41.6228 172.8696 *67 N 4.8869 7.9477 116.2478 52.6703 38.5089 173.4503 68 P 3.9879 0.0000 0.0000 65.1301 32.0785 179.2159 69 K 4.1634 8.0581 117.4929 58.3558 32.2199 178.3612 70 S 4.5992 7.8553 110.4938 57.9734 64.7706 173.4254 71 D 4.5109 8.2076 122.0550 53.6110 41.2127 175.5443 72 R 4.5647 8.7018 125.6298 54.6304 31.2092 175.1075 73 Y 4.9800 7.7986 118.8257 55.0082 41.3977 174.3302 74 K 4.9743 8.5909 118.3594 54.9584 35.4247 175.0894 75 Y 5.4867 8.2572 120.2498 55.6569 41.2355 173.5712 76 K 4.6964 9.4045 119.7998 55.2341 36.9530 174.7503 77 R 5.5846 8.4565 118.4208 53.8049 32.7267 176.4918 78 V 4.0672 8.5488 124.9061 62.0072 31.8039 176.5235 79 N 4.1717 8.1405 128.1849 54.5525 37.0532 177.7549 80 G 3.8116 8.9038 116.9262 47.0473 0.0000 173.4694 81 A 4.1441 7.7482 124.0086 52.0558 18.9904 176.2963 82 I 4.7443 8.1857 123.0813 60.5141 38.4968 175.4825 83 V 4.3783 8.9796 127.2918 61.0205 34.1013 173.8772 84 C 4.8642 8.8579 126.3171 56.9947 40.5470 173.7708 85 E 4.4477 8.9772 123.9311 55.3803 30.5152 176.6787 86 K 4.0928 8.5265 123.3036 56.4912 33.5669 175.4898 *88 G 4.2130 8.2889 114.7726 45.4228 0.0000 172.7346 89 T 4.2386 8.5891 115.0008 60.9565 71.1304 175.6650 90 S 4.0762 8.4835 114.9916 61.7042 62.2647 176.7455 91 C 4.2361 8.0744 118.6131 60.1019 41.2108 175.7174 92 E 3.9755 8.0510 119.7500 59.4695 29.1201 179.2185 93 N 4.2416 8.1873 116.3680 56.5312 38.7787 177.7969 94 R 3.9085 7.9205 119.3749 59.0473 30.1112 179.2558 95 I 3.6353 8.0396 120.2142 64.4280 37.0214 177.5025 96 C 3.1029 7.7577 119.2995 59.4254 38.3043 175.5535 97 E 3.7234 7.8979 119.8712 59.3598 29.0833 178.7085 98 C 4.1997 7.9477 116.1818 60.0420 41.0888 175.9330 99 D 4.0055 7.9949 120.3378 57.0832 40.4349 178.4507 100 K 3.7079 8.1316 120.2066 59.6295 32.0197 178.4603 101 A 3.8640 7.8033 120.2640 55.1141 18.2592 179.4409 102 A 3.4393 7.7422 118.6892 55.0495 18.3733 179.7267 103 A 3.9007 8.1005 119.3963 55.2980 18.3372 180.0193 104 I 3.6407 7.6661 118.3906 64.4697 36.9485 177.7961 105 C 4.1786 7.9627 118.4829 59.6745 38.4075 175.2571 106 F 4.6605 8.0871 119.7433 60.8455 38.2750 177.6866 107 R 3.9723 7.8523 117.0236 59.4350 29.9575 178.0636 108 Q 4.2075 8.3201 118.5299 57.8780 29.3296 176.1769 109 N 5.0783 7.6516 116.2767 52.9405 39.6272 176.2730 110 L 4.1367 8.2064 122.0617 57.8390 41.8786 179.1976 111 N 4.3906 8.3585 115.1965 55.3237 37.1264 175.4973 112 T 4.4752 7.6566 106.0249 60.9246 69.1758 173.8492 113 Y 4.0558 7.9964 125.2186 58.1960 39.2889 174.7056 114 S 5.0406 9.0473 121.8970 56.0836 64.7372 174.8524 115 K 4.0884 8.8398 127.4446 58.9463 32.0104 178.7704 116 K 4.0003 7.4099 116.9191 58.7119 32.5856 177.1137 117 Y 4.3593 7.4750 116.9898 57.8756 38.3081 175.3706 118 M 4.5161 7.5300 120.8166 56.2765 32.5561 175.9588 119 L 3.7197 8.8385 121.7619 55.5999 40.0738 174.5667 120 Y 4.1581 8.1643 118.6326 56.9348 39.0617 173.7968 121 P 4.4188 0.0000 0.0000 62.2971 32.5183 176.7104 122 D 4.2529 8.9659 122.1946 57.2633 41.2551 178.2499 *124 F 4.8976 7.8297 111.0696 56.5587 39.5459 175.4217 125 L 3.7623 6.4830 118.6055 55.4036 41.5033 176.8202 126 C 4.6641 8.0329 118.1131 55.1742 34.5684 172.2945 127 K 4.6198 8.4100 123.0011 54.6474 34.4881 175.3102 128 G 4.2142 8.0607 107.2961 43.5969 0.0000 172.1932 129 E 4.6981 8.2760 118.7511 54.3318 32.1868 176.3145 130 L 4.2656 8.2092 124.3299 54.0776 43.8273 175.0639 131 K 4.3255 8.4774 126.0135 55.9504 33.4057 177.9874 *133 C 4.8298 8.4826 117.1270 57.5357 41.5291 173.9463 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 1 S 8.09 5.18 0.00 4.23 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 2 L 8.39 4.05 0.00 1.85 1.91 1.13 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.57 4.02 0.00 1.59 1.71 0.94 0.93 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 4 E 8.00 4.07 0.00 1.53 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 1.91 2.28 0.00 5 F 8.55 4.71 0.00 3.30 3.17 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 6 G 8.43 3.60 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 0.00 0.00 0.00 7 K 7.97 4.05 0.00 1.94 2.08 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.49 7.81 8 M 8.36 4.08 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.47 0.00 9 I 7.63 3.53 1.80 0.00 0.00 0.57 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 -0.04 0.64 0.00 0.00 10 L 7.63 4.38 0.00 1.77 1.85 0.89 0.86 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 11 E 7.99 3.98 0.00 2.18 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 2.40 2.70 0.00 12 E 8.31 4.08 0.00 2.11 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 2.41 2.37 0.00 13 T 8.51 4.40 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 1.28 0.00 0.00 14 G 8.25 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 *16 K 7.45 4.50 0.00 1.87 1.61 0.00 1.35 0.00 0.00 0.93 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.23 7.81 17 L 8.17 4.41 0.00 1.69 1.75 0.91 0.94 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 18 A 8.88 4.17 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 19 I 7.69 4.64 1.91 0.00 0.00 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 1.54 0.73 0.95 0.00 0.00 20 P 0.00 4.87 0.00 2.20 2.15 0.00 3.76 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 1.92 1.97 0.00 21 S 7.78 4.30 0.00 3.81 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 22 Y 8.63 4.69 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 23 S 8.20 4.94 0.00 4.08 4.16 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 24 S 7.85 4.94 0.00 4.07 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 25 Y 8.44 5.00 0.00 2.98 2.79 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 26 G 7.96 3.34 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 0.00 27 C 9.86 4.60 0.00 3.01 3.06 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 28 Y 8.61 4.23 0.00 3.18 3.14 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 29 C 8.34 4.66 0.00 3.41 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.81 4.63 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 0.00 0.00 0.00 31 W 9.12 4.10 0.00 3.29 3.29 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 32 G 7.74 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 33 G 7.12 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 34 K 6.81 4.51 0.00 1.58 1.62 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.34 7.81 35 G 8.65 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 36 T 7.59 4.34 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 1.13 0.00 0.00 37 P 0.00 4.62 0.00 1.91 1.87 0.00 3.45 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.67 0.00 38 K 8.76 3.88 0.00 0.79 0.81 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.10 0.27 7.81 39 D 7.29 4.46 0.00 2.76 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 0.00 0.00 0.00 0.00 40 A 8.84 3.98 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 41 T 8.03 4.00 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 0.95 0.00 0.00 42 D 8.84 4.56 0.00 2.94 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 43 R 8.34 4.00 0.00 2.07 1.97 0.00 3.13 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.80 0.00 44 C 8.30 4.21 0.00 3.32 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 45 C 8.28 4.37 0.00 3.34 3.47 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 46 F 8.25 3.71 0.00 2.53 3.04 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 0.00 0.00 0.00 47 V 7.95 3.26 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 0.91 0.00 0.00 1.00 0.00 0.00 48 H 8.08 3.81 0.00 3.15 3.30 0.00 5.66 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 49 D 8.21 4.18 0.00 2.84 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.59 4.04 0.00 2.75 2.89 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 51 C 8.15 4.27 0.00 2.95 3.02 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 52 Y 8.06 4.22 0.00 3.04 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 53 G 7.91 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 54 N 7.80 4.69 0.00 2.84 2.83 0.00 0.00 6.76 7.85 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 55 L 7.28 4.81 0.00 1.51 1.50 0.84 0.99 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 56 P 0.00 4.19 0.00 2.16 2.08 0.00 3.59 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 2.09 2.09 0.00 *59 D 7.87 4.90 0.00 2.74 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 *61 C 7.62 5.29 0.00 3.02 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 *67 N 7.95 4.89 0.00 2.74 2.78 0.00 0.00 7.62 8.03 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 68 P 0.00 3.99 0.00 1.21 0.49 0.00 3.36 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.58 0.00 69 K 8.06 4.16 0.00 1.85 1.92 0.00 1.69 0.00 0.00 1.97 0.00 0.00 3.13 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.67 1.53 7.81 70 S 7.86 4.60 0.00 3.95 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 71 D 8.21 4.51 0.00 2.74 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 72 R 8.70 4.56 0.00 1.82 1.77 0.00 3.24 0.00 0.00 2.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 73 Y 7.80 4.98 0.00 3.04 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 74 K 8.59 4.97 0.00 1.74 1.74 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.36 7.81 75 Y 8.26 5.49 0.00 3.09 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 76 K 9.40 4.70 0.00 1.79 1.92 0.00 1.27 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.43 7.81 77 R 8.46 5.58 0.00 1.72 2.08 0.00 3.67 0.00 0.00 3.91 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.55 0.00 78 V 8.55 4.07 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 1.03 0.00 0.00 0.96 0.00 0.00 79 N 8.14 4.17 0.00 2.91 1.97 0.00 0.00 7.10 7.65 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 80 G 8.90 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 81 A 7.75 4.14 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 82 I 8.19 4.74 1.84 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 1.24 0.62 0.82 0.00 0.00 83 V 8.98 4.38 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 1.10 0.00 0.00 0.96 0.00 0.00 84 C 8.86 4.86 0.00 2.87 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 85 E 8.98 4.45 0.00 2.04 1.92 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 2.40 2.32 0.00 86 K 8.53 4.09 0.00 1.80 1.70 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.44 7.81 *88 G 8.29 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 0.00 0.00 0.00 0.00 89 T 8.59 4.24 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 1.27 0.00 0.00 90 S 8.48 4.08 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 91 C 8.07 4.24 0.00 2.99 3.08 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 92 E 8.05 3.98 0.00 2.31 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 0.00 2.57 2.63 0.00 93 N 8.19 4.24 0.00 2.84 2.82 0.00 0.00 7.06 6.95 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 94 R 7.92 3.91 0.00 1.81 1.91 0.00 3.09 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 95 I 8.04 3.64 1.88 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.50 0.97 0.00 0.00 96 C 7.76 3.10 0.00 1.87 2.85 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 0.00 0.00 0.00 97 E 7.90 3.72 0.00 2.10 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 2.42 2.42 0.00 98 C 7.95 4.20 0.00 3.26 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 99 D 7.99 4.01 0.00 2.81 2.90 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 0.00 100 K 8.13 3.71 0.00 1.70 1.93 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.40 7.81 101 A 7.80 3.86 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 0.00 102 A 7.74 3.44 1.08 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 0.00 103 A 8.10 3.90 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 0.00 104 I 7.67 3.64 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 1.61 0.90 0.88 0.00 0.00 105 C 7.96 4.18 0.00 2.93 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 0.00 106 F 8.09 4.66 0.00 3.04 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 0.00 107 R 7.85 3.97 0.00 1.84 2.22 0.00 3.53 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 108 Q 8.32 4.21 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.01 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 109 N 7.65 5.08 0.00 2.83 2.84 0.00 0.00 6.82 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.21 4.14 0.00 1.75 1.75 0.97 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.36 4.39 0.00 2.87 3.00 0.00 0.00 5.89 7.71 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 0.00 112 T 7.66 4.48 4.32 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 1.26 0.00 0.00 113 Y 8.00 4.06 0.00 3.02 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 0.00 114 S 9.05 5.04 0.00 3.90 3.80 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 0.00 115 K 8.84 4.09 0.00 1.88 1.89 0.00 1.76 0.00 0.00 1.92 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.72 1.57 7.81 116 K 7.41 4.00 0.00 1.62 1.71 0.00 1.31 0.00 0.00 1.43 0.00 0.00 2.59 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.59 0.42 7.81 117 Y 7.48 4.36 0.00 1.76 1.82 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 0.00 118 M 7.53 4.52 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.69 0.00 119 L 8.84 3.72 0.00 1.78 1.77 0.95 0.73 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 0.00 120 Y 8.16 4.16 0.00 3.06 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 0.00 121 P 0.00 4.42 0.00 2.07 2.12 0.00 2.63 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 122 D 8.97 4.25 0.00 2.78 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 *124 F 7.83 4.90 0.00 3.24 3.14 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 0.00 125 L 6.48 3.76 0.00 0.87 1.45 0.20 0.41 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 0.00 126 C 8.03 4.66 0.00 3.04 3.20 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 0.00 127 K 8.41 4.62 0.00 1.77 1.67 0.00 1.65 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.42 1.49 7.81 128 G 8.06 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 0.00 0.00 0.00 0.00 129 E 8.28 4.70 0.00 1.93 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 2.21 2.26 0.00 130 L 8.21 4.27 0.00 1.36 1.14 -0.17 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.48 4.33 0.00 1.90 1.76 0.00 1.76 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.54 1.48 7.81 *133 C 8.48 4.83 0.00 2.93 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 * Residues marked with a * may have inaccurate shift predictions.