NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.3835 8.1076 123.5825 51.4533 19.6124 175.3319 4 K 4.4963 7.3093 120.6280 55.2348 36.6231 176.9175 5 G 3.9377 9.3985 109.0273 44.8651 0.0000 173.4115 6 L 4.0784 8.4880 121.1773 55.7542 41.4684 177.0685 7 I 4.5690 8.1638 117.0144 59.4465 38.0087 175.2361 8 R 4.8122 7.2029 118.9427 56.6127 33.3811 172.9734 9 I 4.9528 8.5652 127.3153 59.7760 41.5436 174.2751 10 V 4.7840 8.5044 127.8478 61.2990 32.9406 174.2075 11 L 5.3165 9.1271 129.6337 53.8554 43.4790 174.9554 12 D 5.3842 8.7326 122.2426 52.0476 41.4100 175.3752 13 I 4.8449 8.6878 115.8616 59.1920 41.4859 173.3192 14 L 5.0690 8.2197 126.2032 53.5072 43.9658 175.2949 15 K 4.8276 9.0004 125.1684 54.0262 36.2318 174.3052 16 P 4.5552 0.0000 0.0000 63.3129 31.8911 176.2262 17 H 4.2937 8.4327 117.1451 59.0190 28.8331 175.0119 18 E 4.6148 7.8679 118.7647 53.9182 30.8340 173.9673 19 P 4.4504 0.0000 0.0000 62.1717 31.9059 175.8074 20 I 3.8271 8.2279 120.0671 61.2119 38.2737 176.5149 21 I 3.7156 8.2252 122.4991 63.0476 38.0813 175.1405 22 P 4.7254 0.0000 0.0000 63.3536 31.7375 177.7668 23 E 3.9155 8.1597 120.0182 60.0378 29.3686 178.2875 24 Y 3.6769 8.1331 115.9265 61.0283 37.9649 178.4794 25 A 4.1883 7.6987 120.0687 55.5072 18.2751 179.0469 26 K 3.7471 7.6473 116.0056 59.9805 32.4719 177.5343 27 Y 4.2911 8.9671 119.6399 61.2068 38.8385 178.8712 28 L 4.1219 9.0119 120.6435 57.4882 41.4490 179.4964 29 S 4.1932 7.8384 113.8374 61.4481 62.7761 175.2058 30 E 4.2362 7.5934 118.7323 56.3475 28.9109 176.6157 31 L 4.3501 7.2075 119.5021 53.0925 43.1286 176.7030 32 R 3.8966 8.2871 120.3174 57.5061 30.5723 178.1986 33 G 3.9655 8.6500 108.2763 45.5495 0.0000 173.4643 34 V 4.1807 7.3263 119.0123 62.2685 30.7348 175.3027 35 E 4.1606 8.8586 128.4337 59.3668 30.3029 177.2983 36 G 4.1276 7.9794 103.5869 45.7594 0.0000 173.0150 37 V 4.9440 8.2837 119.7829 61.3200 34.6283 173.3092 38 N 4.9741 9.0779 126.8444 51.9597 41.2952 173.4829 39 I 5.2155 8.5449 125.6938 58.7984 40.0551 174.8680 40 T 4.4685 8.3592 117.5159 60.2589 71.4137 174.0973 41 L 4.3856 8.1203 125.0014 54.1578 44.0103 174.7803 *43 E 4.1945 8.3956 120.8063 56.2298 31.2810 174.4222 44 I 4.6434 8.0776 122.6244 59.8585 41.0397 173.7636 45 D 5.0660 9.1480 128.2445 51.9178 43.7757 177.1783 46 K 4.0885 8.6376 118.3633 60.6203 32.5021 178.4015 47 E 4.1586 8.1094 118.4719 58.3483 29.9003 176.2217 48 T 4.6184 7.4444 110.6980 60.8158 71.6239 172.2329 49 E 4.7150 8.7979 124.1837 54.5287 33.1056 173.0627 50 N 5.3559 9.1852 126.9378 51.9483 40.4283 173.7524 51 I 4.7277 8.6203 118.8305 59.0300 41.9946 173.7146 52 K 4.8295 8.6331 123.8168 54.6796 34.8415 175.1121 53 V 4.5327 8.9007 127.3351 61.5837 33.6832 173.9138 54 T 4.8901 8.5879 125.6427 62.4826 70.2754 174.1252 55 I 5.1457 8.7782 125.6015 59.3857 42.0605 173.5928 56 Q 4.9634 9.1193 128.3098 52.8919 32.8949 175.3362 57 G 4.3086 8.3085 114.5025 45.6145 0.0000 175.4570 58 N 4.3003 8.6186 123.5074 53.8961 41.4353 172.7779 59 D 4.5953 8.4804 122.4361 55.4977 39.6296 172.6602 60 L 4.2058 8.3538 121.4663 53.9160 43.1897 177.3506 61 D 4.6730 8.4758 121.5497 53.2386 41.8744 177.0323 62 F 4.5025 8.8883 130.1031 61.2033 39.4664 176.2562 63 D 4.1962 8.3288 118.3605 56.4019 40.7650 178.2334 64 E 3.9458 8.3634 118.6570 59.6986 29.4356 179.1417 65 I 4.0957 7.6695 119.0689 64.8062 37.2709 177.9364 66 T 3.6985 7.6634 113.5665 65.5680 66.9138 175.7199 67 R 3.8240 7.9855 119.0418 59.2958 30.2638 178.6167 68 A 4.3401 8.8610 122.7426 54.7267 18.4254 179.7337 69 I 3.8411 8.1748 118.2476 64.7727 37.1529 178.5582 70 E 4.5612 8.0970 120.6490 59.1051 29.1139 179.5447 71 S 4.0520 8.4427 115.4709 61.3071 62.5132 175.2792 72 Y 4.4710 7.2121 116.6049 57.3173 37.6921 176.0792 73 G 3.8443 8.1516 107.7140 46.0477 0.0000 174.3642 74 G 4.1337 7.8566 107.7092 45.5533 0.0000 173.7162 75 S 4.6438 8.2459 113.3045 57.2121 65.6127 173.7308 76 I 3.8390 8.5089 129.2268 62.1329 36.3309 175.8163 77 H 4.6824 8.9637 126.0121 58.5469 29.5282 175.6837 78 S 4.5999 7.7701 110.5379 58.0033 66.7392 175.8379 79 V 4.4502 8.5441 120.5437 61.7764 31.7841 174.6939 80 D 4.7991 9.1024 128.5013 55.2592 42.2855 176.3744 81 E 4.7673 7.8616 117.7152 54.9159 33.5435 173.9168 82 V 4.8734 8.1394 122.8970 61.4238 34.8697 173.8946 83 V 4.5529 8.8254 127.1265 61.0146 34.2431 174.0153 84 A 4.9245 9.0778 128.2032 50.5588 21.8276 175.3018 85 G 3.6524 7.6955 108.0423 44.7377 0.0000 173.5755 86 R 4.5352 8.3825 119.0199 56.9505 32.1142 177.1410 87 T 4.3964 7.2910 107.9565 61.9887 66.6514 176.5697 *89 V 3.7708 8.7328 119.5620 62.3404 31.7426 174.1320 90 E 4.2407 8.5243 126.5809 55.7608 30.2384 175.8882 91 E 4.2479 8.3933 121.5119 55.6380 30.4499 176.4363 92 V 4.0379 8.2216 119.7361 60.8655 32.7623 175.6476 93 T 4.5630 8.0001 113.3279 60.8185 70.7379 173.5388 94 T 4.4537 7.8637 115.0046 60.3860 70.1969 171.6118 95 P 4.4252 0.0000 0.0000 63.0961 31.3129 176.4756 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 A 8.11 4.38 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 4 K 7.31 4.50 0.00 1.97 1.86 0.00 1.57 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.50 7.81 5 G 9.40 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.49 4.08 0.00 1.95 1.66 0.91 0.58 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 7 I 8.16 4.57 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.70 0.97 0.00 0.00 8 R 7.20 4.81 0.00 1.93 1.78 0.00 3.17 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 9 I 8.57 4.95 1.94 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.57 0.96 0.00 0.00 10 V 8.50 4.78 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 1.08 0.00 0.00 0.93 0.00 0.00 11 L 9.13 5.32 0.00 1.78 1.94 1.04 1.01 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 12 D 8.73 5.38 0.00 2.76 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 13 I 8.69 4.84 1.90 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 1.02 0.93 0.93 0.00 0.00 14 L 8.22 5.07 0.00 1.59 1.36 0.92 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 15 K 9.00 4.83 0.00 1.86 1.82 0.00 0.74 0.00 0.00 1.23 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.11 1.25 7.81 16 P 0.00 4.56 0.00 2.33 2.13 0.00 3.92 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 2.23 2.04 0.00 17 H 8.43 4.29 0.00 3.19 3.43 0.00 5.74 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.87 4.61 0.00 1.95 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 2.28 2.39 0.00 19 P 0.00 4.45 0.00 2.21 2.11 0.00 3.99 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 1.76 2.18 0.00 20 I 8.23 3.83 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.34 0.96 0.00 0.00 21 I 8.23 3.72 1.74 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 1.44 1.14 0.92 0.00 0.00 22 P 0.00 4.73 0.00 2.35 2.27 0.00 3.45 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 23 E 8.16 3.92 0.00 1.98 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 2.45 2.50 0.00 24 Y 8.13 3.68 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 25 A 7.70 4.19 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 26 K 7.65 3.75 0.00 2.04 1.99 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.55 7.81 27 Y 8.97 4.29 0.00 3.13 3.07 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 28 L 9.01 4.12 0.00 1.88 1.79 1.18 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.84 4.19 0.00 4.05 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 30 E 7.59 4.24 0.00 1.81 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 2.58 2.33 0.00 31 L 7.21 4.35 0.00 1.81 1.56 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.29 3.90 0.00 1.82 1.93 0.00 3.33 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 33 G 8.65 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 34 V 7.33 4.18 2.35 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 0.88 0.00 0.00 0.99 0.00 0.00 35 E 8.86 4.16 0.00 2.03 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 2.31 2.32 0.00 36 G 7.98 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 0.00 0.00 0.00 37 V 8.28 4.94 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 0.86 0.00 0.00 0.97 0.00 0.00 38 N 9.08 4.97 0.00 2.81 2.63 0.00 0.00 6.53 7.27 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 39 I 8.54 5.22 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.86 0.78 0.00 0.00 40 T 8.36 4.47 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 41 L 8.12 4.39 0.00 1.64 1.59 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 *43 E 8.40 4.19 0.00 2.11 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 2.27 2.31 0.00 44 I 8.08 4.64 1.85 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.93 0.91 0.00 0.00 45 D 9.15 5.07 0.00 2.75 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 46 K 8.64 4.09 0.00 1.88 1.96 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.48 7.81 47 E 8.11 4.16 0.00 2.00 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 2.33 2.25 0.00 48 T 7.44 4.62 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 1.25 0.00 0.00 49 E 8.80 4.72 0.00 1.88 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 2.10 2.17 0.00 50 N 9.19 5.36 0.00 2.68 2.66 0.00 0.00 7.02 7.63 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 51 I 8.62 4.73 1.95 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 0.98 0.66 0.78 0.00 0.00 52 K 8.63 4.83 0.00 1.83 1.65 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.34 7.81 53 V 8.90 4.53 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 0.93 0.00 0.00 0.87 0.00 0.00 54 T 8.59 4.89 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 1.22 0.00 0.00 55 I 8.78 5.15 1.92 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 1.15 1.59 1.06 0.00 0.00 56 Q 9.12 4.96 0.00 2.16 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.51 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 57 G 8.31 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 0.00 0.00 0.00 0.00 58 N 8.62 4.30 0.00 2.72 2.63 0.00 0.00 6.78 8.49 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 59 D 8.48 4.60 0.00 2.89 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 60 L 8.35 4.21 0.00 1.72 1.63 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.48 4.67 0.00 2.77 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 62 F 8.89 4.50 0.00 3.09 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 63 D 8.33 4.20 0.00 2.84 2.63 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 64 E 8.36 3.95 0.00 2.14 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 2.41 2.42 0.00 65 I 7.67 4.10 1.92 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.89 1.00 0.00 0.00 66 T 7.66 3.70 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 1.02 0.00 0.00 67 R 7.99 3.82 0.00 2.13 1.96 0.00 3.18 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 1.61 1.72 0.00 68 A 8.86 4.34 1.63 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 69 I 8.17 3.84 2.09 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.31 1.05 0.00 0.00 70 E 8.10 4.56 0.00 2.15 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 2.29 2.39 0.00 71 S 8.44 4.05 0.00 3.54 3.76 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 72 Y 7.21 4.47 0.00 2.81 2.49 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 73 G 8.15 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 74 G 7.86 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 0.00 0.00 0.00 75 S 8.25 4.64 0.00 3.88 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.51 3.84 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.68 1.01 0.00 0.00 77 H 8.96 4.68 0.00 3.32 3.35 0.00 5.75 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.77 4.60 0.00 3.85 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 79 V 8.54 4.45 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 0.75 0.00 0.00 1.03 0.00 0.00 80 D 9.10 4.80 0.00 2.58 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 81 E 7.86 4.77 0.00 1.98 1.71 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 2.26 2.29 0.00 82 V 8.14 4.87 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 0.72 0.00 0.00 0.81 0.00 0.00 83 V 8.83 4.55 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 1.05 0.00 0.00 0.97 0.00 0.00 84 A 9.08 4.92 1.16 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 0.00 0.00 85 G 7.70 3.65 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 0.00 0.00 0.00 86 R 8.38 4.54 0.00 1.78 1.96 0.00 3.00 0.00 0.00 3.81 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 87 T 7.29 4.40 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 *89 V 8.73 3.77 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 0.85 0.00 0.00 0.93 0.00 0.00 90 E 8.52 4.24 0.00 1.99 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 0.00 2.31 2.23 0.00 91 E 8.39 4.25 0.00 1.92 1.84 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 2.27 2.32 0.00 92 V 8.22 4.04 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 0.78 0.00 0.00 0.93 0.00 0.00 93 T 8.00 4.56 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 94 T 7.86 4.45 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 95 P 0.00 4.43 0.00 2.09 1.97 0.00 4.02 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 * Residues marked with a * may have inaccurate shift predictions.