NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0950 8.0544 120.3931 62.9190 32.7335 174.5368 3 Q 4.4066 8.4773 124.3500 55.1294 31.9040 173.1683 4 L 5.2036 8.1149 117.4805 52.8912 45.7814 175.5645 5 Q 4.4787 8.6162 122.4973 54.9004 32.4750 174.1288 6 E 5.8104 9.0871 125.8323 55.3442 31.7556 175.1054 7 S 4.5911 8.6703 112.9658 58.8246 65.4574 175.7345 8 G 3.9343 9.5075 108.4860 45.6785 0.0000 174.5659 9 G 3.7933 7.8152 108.7878 44.7921 0.0000 173.6437 10 G 3.8562 7.4108 104.9768 45.7461 0.0000 170.8156 11 L 5.0736 7.9983 119.6587 53.7800 43.1699 177.0155 12 V 4.5387 8.5914 121.8851 60.0720 35.1788 174.4881 13 Q 4.4787 8.7151 122.2248 55.1823 30.1278 175.4974 14 A 4.1796 8.2913 126.3153 54.2347 18.7679 177.9985 15 G 3.9495 9.3755 112.2292 45.0098 0.0000 173.8774 16 G 3.9946 8.0927 107.3093 45.7993 0.0000 172.5605 17 S 5.3479 8.2530 114.4739 56.8772 66.5882 173.7631 18 L 4.4333 8.4710 121.7927 53.9729 45.8023 173.7547 19 R 4.8763 8.4434 125.2854 54.5148 32.3015 174.6208 20 L 4.9193 8.4424 125.8421 53.2203 44.7311 175.5990 21 S 5.3550 9.2645 117.0039 57.1162 67.4440 172.7220 22 C 5.2564 9.2190 121.9676 55.1205 40.8102 172.3781 23 A 5.0088 9.0616 129.4009 50.8090 20.0320 175.6181 24 A 5.1620 8.8318 125.4340 50.4583 21.2826 176.4605 25 S 4.3092 8.1981 114.3233 57.6502 66.4380 170.9953 26 G 3.4053 9.5663 120.8691 47.2485 0.0000 171.5152 *27 R 3.9174 9.3935 127.1128 56.1523 26.1607 172.6231 28 T 3.5199 7.5865 120.1111 62.1310 71.5142 173.0706 29 G 4.0429 7.8109 110.7649 45.0304 0.0000 174.6300 *30 S 4.1730 8.4113 118.3544 61.5108 62.2755 171.8944 31 T 4.4277 7.9031 108.6645 61.6383 68.9738 178.4489 32 Y 5.0454 7.7107 119.1001 56.6375 40.5106 174.5366 33 D 5.4129 8.8347 120.8783 52.8146 44.5904 174.9057 34 M 4.8476 8.9157 120.9209 53.7610 35.5269 175.0820 35 G 4.2531 9.1682 108.3707 44.6927 0.0000 171.1962 36 W 5.3104 9.0336 120.0596 54.7297 32.4080 175.1303 37 F 5.4054 9.8496 122.1681 55.7660 43.0565 174.0222 38 R 4.9173 9.1229 116.0596 54.8178 33.4289 174.1463 39 Q 4.5763 8.7258 121.2326 54.5842 32.1517 174.2925 40 A 4.5895 8.5670 129.8716 50.3103 19.7430 174.5078 41 P 4.3667 0.0000 0.0000 64.3491 31.4874 177.0791 42 G 3.8887 8.9655 109.4563 45.5340 0.0000 172.6450 43 K 4.6052 7.8015 117.8995 54.0145 35.2282 175.2239 44 E 4.2916 8.2984 120.5901 55.1444 30.5280 175.9342 45 R 4.3958 8.2553 124.8372 56.6629 30.9077 175.3594 46 E 5.0453 9.3113 122.8582 54.4280 33.4545 174.8288 47 S 4.1419 8.8957 116.1311 58.8125 63.9048 173.0703 48 V 4.3719 8.5033 120.8074 64.2314 33.8484 174.9638 49 A 5.1376 7.6934 118.9187 51.3221 22.6394 174.4845 50 A 5.1670 8.7309 119.8331 50.9803 23.4058 175.3090 51 I 5.0613 8.9729 119.3020 59.5029 42.2688 173.4915 52 N 5.1212 8.9601 127.5913 52.0358 39.6307 175.7710 52A W 4.2577 9.2201 135.0000 60.6944 31.3072 176.8936 53 D 4.4831 8.4982 116.7062 57.0249 40.8547 177.0168 54 S 4.2979 8.0630 110.4200 58.0202 63.8632 174.3796 55 A 3.7795 8.1006 122.3598 52.6538 16.5855 177.2448 56 R 4.2133 7.7865 120.0406 58.0424 30.9659 175.9284 57 T 5.1478 8.5144 115.5778 60.2430 72.1546 172.6897 58 Y 4.7716 8.2106 122.4090 56.2887 42.5277 173.2297 59 Y 4.9575 7.5834 122.6072 55.6742 41.6261 175.3080 60 A 4.0983 8.5502 125.9483 51.5551 19.0524 178.6402 61 S 4.0609 8.9441 115.2013 61.3689 63.1416 177.0508 62 S 4.1114 8.0963 114.4786 60.4030 62.9033 175.1157 63 V 3.7798 7.3893 111.1724 60.1284 32.2875 175.2445 64 R 3.8382 7.2267 120.6204 57.8303 30.0154 176.7447 65 G 3.9302 8.8256 113.9742 44.9572 0.0000 173.5928 66 R 4.5585 8.0100 117.3763 56.3412 33.2647 175.8109 67 F 5.5185 8.0840 115.5584 56.1495 41.7503 175.6964 68 T 4.7911 8.8934 117.7620 61.9546 72.1886 172.6570 69 I 5.2247 9.3642 127.4602 59.5437 40.2155 174.5212 70 S 5.0014 9.0456 122.2481 57.2650 67.0106 172.7082 71 R 5.1231 8.4013 115.5741 54.5896 32.7451 174.0098 72 D 4.7071 9.1361 121.8819 52.6775 42.8107 176.1732 73 N 4.2144 8.8012 125.2370 56.7150 39.2873 176.7064 74 A 4.0796 8.1889 119.1131 54.9867 18.4775 178.2486 75 K 4.3158 8.6367 112.5442 56.0361 32.8990 176.6964 76 K 4.4308 8.1442 118.2858 58.1385 30.4708 174.4956 77 T 5.1993 8.1079 112.5675 61.7688 72.7911 173.9625 78 V 4.9000 8.6760 124.7046 61.4245 34.4873 173.9553 79 Y 5.4697 9.2774 124.6045 56.2020 41.7823 174.6911 80 L 4.7001 8.7246 123.6470 53.3585 44.9323 174.9642 81 Q 4.3784 9.2268 129.6714 55.2920 30.5064 174.0960 82 M 4.0825 8.6149 127.1936 53.4537 34.0107 175.0301 82A N 5.1525 8.6038 120.5753 50.8692 42.2544 174.2938 82B S 3.8266 8.4868 113.3344 59.6489 60.7352 173.3738 82C L 4.4197 7.8380 119.4493 54.8555 42.6195 177.2808 83 K 4.9650 9.1627 121.1530 53.6776 35.6205 175.6681 84 P 4.8021 0.0000 0.0000 65.2147 31.3242 178.3355 85 E 4.2183 8.1328 115.2272 58.0536 29.4507 176.9097 86 D 4.7916 8.2908 118.3677 54.6909 41.4164 176.7286 87 T 4.3482 7.9318 117.5690 63.9603 68.9963 173.5855 88 A 4.2919 8.4864 126.5897 51.8148 23.9957 174.6255 89 V 4.6393 7.9273 119.4038 62.2736 33.0772 174.2297 90 Y 5.2157 9.5315 126.4044 56.9268 40.0470 174.8807 91 T 5.2634 9.4781 120.7160 62.0241 72.5316 172.2256 92 C 4.7281 9.2844 125.5191 55.1967 43.9068 172.5076 93 G 4.1699 8.7317 110.4772 44.7307 0.0000 170.9379 94 A 5.1763 8.2693 120.5028 50.3233 23.3863 175.8300 95 G 4.5214 8.1602 104.8523 46.8960 0.0000 171.7581 96 E 4.6016 7.7581 115.7047 55.4500 32.9754 175.5605 97 G 3.8432 9.1347 107.9121 46.7815 0.0000 174.5777 98 G 3.7079 8.1779 105.0217 45.4080 0.0000 173.9914 99 T 4.4446 7.1642 115.4432 60.9708 71.4023 172.9846 100 W 4.8397 8.6175 125.1080 55.1011 30.6338 175.3958 101 D 5.0204 8.6866 121.1383 52.6188 40.5978 175.6444 102 S 4.7394 7.4475 114.0390 56.3707 65.8741 172.4310 103 W 5.4606 8.6658 124.5493 55.1229 33.1527 175.4317 104 G 4.0665 8.7961 110.3487 45.5220 0.0000 173.3484 105 Q 4.2454 8.9585 117.3526 56.5453 29.2902 177.6486 106 G 4.2019 9.5147 103.1355 45.8364 0.0000 172.6052 107 T 4.7681 8.8362 114.0147 60.2255 71.4535 172.3537 108 Q 4.8606 8.8053 129.3986 55.3900 31.1779 174.1776 109 V 4.6737 8.8388 126.1930 61.5460 34.3975 174.1308 110 T 4.8034 8.9216 125.5074 61.8512 71.0941 173.3703 111 V 5.3256 8.9413 127.5224 60.5290 33.6361 174.9493 112 S 4.8574 8.4379 121.6826 56.0709 66.7651 174.5418 113 S 4.2944 8.4470 114.8679 58.9563 62.6340 174.5375 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 2 V 8.05 4.10 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 0.98 0.00 0.00 0.94 0.00 0.00 3 Q 8.48 4.41 0.00 2.18 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 4 L 8.11 5.20 0.00 1.46 1.41 0.76 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.62 4.48 0.00 2.16 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 6 E 9.09 5.81 0.00 2.06 2.24 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 2.42 2.13 0.00 7 S 8.67 4.59 0.00 3.90 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 8 G 9.51 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 9 G 7.82 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 0.00 0.00 0.00 10 G 7.41 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 0.00 0.00 0.00 11 L 8.00 5.07 0.00 1.54 1.60 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.59 4.54 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 0.74 0.00 0.00 0.89 0.00 0.00 13 Q 8.72 4.48 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.06 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 14 A 8.29 4.18 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 15 G 9.38 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 16 G 8.09 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 0.00 0.00 0.00 17 S 8.25 5.35 0.00 3.65 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 18 L 8.47 4.43 0.00 1.58 1.20 0.84 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.44 4.88 0.00 1.87 1.70 0.00 3.03 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 1.53 1.66 0.00 20 L 8.44 4.92 0.00 0.71 1.13 0.10 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.26 5.35 0.00 3.84 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 22 C 9.22 5.26 0.00 2.58 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 23 A 9.06 5.01 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 24 A 8.83 5.16 1.06 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 0.00 0.00 25 S 8.20 4.31 0.00 3.76 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 26 G 9.57 3.41 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 0.00 *27 R 9.39 3.92 0.00 2.00 2.03 0.00 3.25 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 1.41 1.19 0.00 28 T 7.59 3.52 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 -1.03 0.00 0.00 29 G 7.81 4.04 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 0.00 0.00 0.00 *30 S 8.41 4.17 0.00 3.64 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 31 T 7.90 4.43 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 32 Y 7.71 5.05 0.00 2.99 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 33 D 8.83 5.41 0.00 2.07 2.47 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 34 M 8.92 4.85 0.00 1.81 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 1.80 0.00 35 G 9.17 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 0.00 0.00 0.00 0.00 36 W 9.03 5.31 0.00 3.25 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 37 F 9.85 5.41 0.00 3.04 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 38 R 9.12 4.92 0.00 0.88 1.13 0.00 2.47 0.00 0.00 3.01 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.41 0.00 39 Q 8.73 4.58 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.27 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 40 A 8.57 4.59 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 41 P 0.00 4.37 0.00 2.19 2.09 0.00 3.84 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 1.99 1.98 0.00 42 G 8.97 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 43 K 7.80 4.61 0.00 1.85 1.70 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.46 7.81 44 E 8.30 4.29 0.00 1.91 1.83 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 2.25 2.25 0.00 45 R 8.26 4.40 0.00 1.73 1.70 0.00 2.87 0.00 0.00 2.91 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 46 E 9.31 5.05 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.26 0.00 47 S 8.90 4.14 0.00 3.80 3.88 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 48 V 8.50 4.37 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 1.30 0.00 0.00 1.11 0.00 0.00 49 A 7.69 5.14 1.32 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 0.00 0.00 0.00 50 A 8.73 5.17 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 51 I 8.97 5.06 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.76 1.11 0.00 0.00 52 N 8.96 5.12 0.00 3.00 2.71 0.00 0.00 6.98 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52A W 9.22 4.26 0.00 4.10 3.52 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 0.00 53 D 8.50 4.48 0.00 2.78 2.75 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 54 S 8.06 4.30 0.00 4.03 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 55 A 8.10 3.78 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 56 R 7.79 4.21 0.00 1.90 1.85 0.00 3.08 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 57 T 8.51 5.15 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 1.28 0.00 0.00 58 Y 8.21 4.77 0.00 3.09 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 59 Y 7.58 4.96 0.00 2.67 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 60 A 8.55 4.10 1.32 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 0.00 0.00 0.00 61 S 8.94 4.06 0.00 3.99 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 62 S 8.10 4.11 0.00 3.92 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.39 3.78 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 0.00 0.00 0.09 0.00 0.00 0.84 0.00 0.00 64 R 7.23 3.84 0.00 1.87 1.75 0.00 3.20 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 65 G 8.83 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 66 R 8.01 4.56 0.00 1.77 2.23 0.00 3.05 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 67 F 8.08 5.52 0.00 2.76 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 68 T 8.89 4.79 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 1.30 0.00 0.00 69 I 9.36 5.22 2.05 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.31 0.89 0.00 0.00 70 S 9.05 5.00 0.00 3.99 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 71 R 8.40 5.12 0.00 1.39 1.91 0.00 2.39 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.47 0.00 72 D 9.14 4.71 0.00 2.96 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 73 N 8.80 4.21 0.00 2.59 2.79 0.00 0.00 6.35 7.74 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 74 A 8.19 4.08 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.64 4.32 0.00 1.90 1.97 0.00 2.04 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.63 7.81 76 K 8.14 4.43 0.00 2.00 1.92 0.00 1.55 0.00 0.00 2.21 0.00 0.00 3.19 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.55 7.81 77 T 8.11 5.20 4.09 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 0.68 0.00 0.00 78 V 8.68 4.90 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 1.31 0.00 0.00 1.32 0.00 0.00 79 Y 9.28 5.47 0.00 2.95 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 80 L 8.72 4.70 0.00 0.62 0.47 0.97 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 9.23 4.38 0.00 2.09 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 82 M 8.61 4.08 0.00 0.93 1.44 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.81 0.00 82A N 8.60 5.15 0.00 2.73 2.68 0.00 0.00 7.18 7.44 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 82B S 8.49 3.83 0.00 4.00 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 0.00 82C L 7.84 4.42 0.00 1.82 1.61 0.80 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 83 K 9.16 4.97 0.00 1.77 1.81 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.53 7.81 84 P 0.00 4.80 0.00 2.19 2.13 0.00 3.89 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 85 E 8.13 4.22 0.00 1.95 2.02 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 2.32 2.40 0.00 86 D 8.29 4.79 0.00 2.89 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 87 T 7.93 4.35 4.33 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 1.33 0.00 0.00 88 A 8.49 4.29 1.09 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 0.00 0.00 89 V 7.93 4.64 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 1.02 0.00 0.00 0.97 0.00 0.00 90 Y 9.53 5.22 0.00 3.08 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 91 T 9.48 5.26 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 1.44 0.00 0.00 92 C 9.28 4.73 0.00 1.31 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 93 G 8.73 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 0.00 0.00 0.00 94 A 8.27 5.18 1.03 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 0.00 0.00 95 G 8.16 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 0.00 0.00 0.00 0.00 96 E 7.76 4.60 0.00 2.00 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 2.17 2.24 0.00 97 G 9.13 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 98 G 8.18 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 99 T 7.16 4.44 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 0.00 100 W 8.62 4.84 0.00 3.29 2.39 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 0.00 0.00 0.00 0.00 101 D 8.69 5.02 0.00 2.60 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 0.00 102 S 7.45 4.74 0.00 3.77 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 0.00 103 W 8.67 5.46 0.00 3.10 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 0.00 104 G 8.80 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 0.00 0.00 0.00 105 Q 8.96 4.25 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 5.61 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 106 G 9.51 4.20 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 0.00 107 T 8.84 4.77 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 1.50 0.00 0.00 108 Q 8.81 4.86 0.00 2.28 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 109 V 8.84 4.67 2.23 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 0.83 0.00 0.00 0.70 0.00 0.00 110 T 8.92 4.80 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 0.00 111 V 8.94 5.33 2.22 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 1.02 0.00 0.00 0.96 0.00 0.00 112 S 8.44 4.86 0.00 3.91 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 0.00 113 S 8.45 4.29 0.00 3.89 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 * Residues marked with a * may have inaccurate shift predictions.