NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.9284 8.6698 115.7384 54.8252 29.8988 172.6024 2 P 4.5580 0.0000 0.0000 62.1185 32.7085 173.7734 3 K 4.9385 9.3816 120.8114 54.3155 36.1534 176.5009 4 L 3.8233 8.7111 125.6780 55.3095 41.9648 176.4053 5 V 4.1471 8.2084 126.2591 64.3963 33.2570 175.4436 6 S 4.7057 7.3647 111.8706 57.5937 65.5113 174.0835 7 S 4.9815 8.4375 117.5386 57.0718 66.2210 172.8896 8 T 4.4879 8.5883 116.3875 59.5391 69.5862 172.1183 9 P 4.4642 0.0000 0.0000 62.1683 32.3330 175.8514 10 A 4.3505 8.1079 122.3963 51.1341 19.2986 176.7610 11 E 4.2085 8.6712 120.4571 58.3742 29.7194 177.6065 12 G 3.9850 9.4638 114.4631 45.4028 0.0000 173.2762 13 S 4.4514 7.9740 114.8645 58.2302 63.8099 172.8223 14 E 5.0705 8.4245 123.6819 55.0418 32.6541 175.4670 15 G 4.1291 8.3347 110.2850 46.7051 0.0000 172.7398 16 A 4.4810 8.9575 124.5145 51.5716 19.1892 177.4486 17 A 4.1222 8.3542 123.3296 51.4456 18.9139 176.2620 18 P 4.3717 0.0000 0.0000 62.1912 32.2602 176.7210 19 A 4.1176 8.4543 123.7020 54.9411 18.6750 177.4680 20 K 4.6830 7.4387 111.9360 56.1622 35.6741 175.2534 21 I 4.5520 8.7658 122.4953 59.6013 39.7878 174.4664 22 E 5.0222 9.1053 126.5945 54.4110 32.4666 174.8339 23 L 4.6200 8.8885 124.3311 53.0314 44.7740 175.0085 24 H 5.1013 8.5183 120.9015 53.9492 31.4029 173.4771 25 F 5.2695 9.0623 121.8941 55.4791 41.5833 175.8251 26 S 4.4605 8.8660 114.5264 60.3260 63.4799 174.1605 27 E 4.8866 8.0116 118.1581 53.9669 33.4260 175.3161 28 N 4.6139 8.7898 119.3424 53.7833 39.1223 174.8214 29 L 4.4573 8.5951 124.0674 54.1657 43.1358 176.9211 30 V 3.9186 8.9236 123.7697 62.2553 31.3985 176.8969 31 T 3.8804 8.6130 126.4145 66.6121 68.5959 177.0036 32 Q 3.8864 7.7688 117.7643 58.1026 28.6646 176.6601 33 F 4.9476 7.3716 115.1058 57.3192 40.1595 175.4012 34 S 4.9644 7.3773 116.2329 57.4327 64.8290 173.9254 35 G 4.2355 8.8288 108.3949 46.7728 0.0000 171.5630 36 A 5.3642 8.4411 119.2809 50.8522 22.3354 175.9662 37 K 4.6385 9.2053 120.8380 54.4758 35.9538 174.5453 38 L 5.2614 8.5756 128.4032 53.4864 44.3820 174.9401 39 V 4.8927 8.9148 125.7724 61.3100 35.3282 173.5763 40 M 4.3495 9.1009 128.2036 54.6867 32.8302 176.2228 41 T 4.3436 8.4930 116.5313 62.4294 70.3963 174.5401 42 A 4.5626 7.2040 121.8793 51.3781 22.4497 175.1738 43 M 4.9206 8.3061 118.5920 52.7019 35.6369 174.4094 44 P 4.0908 0.0000 0.0000 63.0207 31.9839 174.2312 *50 P 4.4241 0.0000 0.0000 62.6699 32.6757 175.8128 51 M 4.7948 8.6076 123.0468 52.9889 34.8516 175.2837 52 A 4.5210 8.8097 125.5583 52.2728 19.4702 176.4971 53 V 4.3840 8.5854 121.7858 60.4541 33.8018 175.4025 54 K 4.1415 8.7200 129.0751 56.9988 33.0142 175.1109 55 A 5.0615 8.4008 127.2521 50.7511 22.4172 175.1311 56 A 4.4251 8.9151 123.8097 51.2512 20.4739 176.5613 57 V 5.0145 8.3312 121.1649 61.1425 34.1746 174.7280 58 S 4.7174 9.1475 121.3198 56.4997 66.9080 173.6219 59 G 3.8805 8.6960 107.9739 46.6488 0.0000 174.2598 60 G 4.0234 8.5435 110.1196 44.9172 0.0000 173.0453 61 G 4.1518 8.9631 108.5021 48.1328 0.0000 173.3456 62 D 5.0622 7.6777 118.6451 49.9222 42.0899 175.1072 63 P 4.3844 0.0000 0.0000 64.9191 31.5667 177.5443 64 K 4.5642 8.4496 118.3024 56.7072 32.5878 175.5791 65 T 5.1637 7.9203 116.9569 61.8093 71.7226 172.7161 66 M 5.1115 9.0929 125.3051 53.6963 35.4787 174.2518 67 V 4.8810 9.1325 125.4672 61.1244 34.8715 173.9760 68 I 4.8651 9.0549 128.5522 59.9253 39.8911 174.6099 69 T 4.8023 8.9778 124.8771 60.8859 70.4129 172.1457 70 P 4.7196 0.0000 0.0000 62.7206 31.4471 177.0455 71 A 4.3211 8.9355 125.9751 54.2756 18.8255 177.8842 72 S 4.7148 7.7946 107.4124 55.3934 66.3353 171.9904 73 P 4.3019 0.0000 0.0000 62.7473 31.5911 176.4469 74 L 4.1710 8.2965 122.5447 54.7658 42.0908 177.4198 75 T 4.2682 8.4971 113.4008 60.4993 69.9088 174.1541 76 A 4.2603 8.6084 125.3760 51.6879 19.1424 178.4871 77 G 3.8210 7.5435 108.4569 45.5324 0.0000 170.6631 78 T 4.9269 7.6771 116.4497 62.0225 70.8719 173.8615 79 Y 4.9611 8.7829 122.9011 55.8672 42.2237 174.4087 80 K 5.0112 9.1111 122.7762 54.7101 35.9509 174.9585 81 V 4.7591 9.3058 127.8361 61.5894 33.2609 173.9801 82 D 5.2946 8.8996 129.4876 53.0651 42.3323 175.9490 83 W 5.5649 8.5979 120.2239 54.7274 32.3069 174.3932 84 R 5.1989 9.3755 120.6060 54.8937 33.0087 173.4738 85 A 4.9021 9.6925 128.3616 50.0373 22.2465 174.7789 86 V 4.7066 8.6596 121.9438 61.3098 34.8222 174.9722 87 S 5.1336 8.3386 122.4153 56.5591 65.5414 174.2213 88 S 4.2772 8.6807 113.6281 61.1705 62.8226 174.4205 89 D 4.5256 8.0957 119.1218 53.5516 39.6869 177.2789 90 T 3.3156 7.9709 109.4040 61.7097 68.5405 171.8474 91 F 4.2361 7.9220 122.1069 56.4588 39.2613 173.1831 92 P 4.7573 0.0000 0.0000 62.6383 32.2983 175.5769 93 I 4.7751 8.9804 125.0724 59.6481 39.8459 174.7451 94 T 4.5828 8.0700 115.6523 60.2018 72.0337 173.0059 95 G 3.3458 6.3136 108.1503 45.9542 0.0000 171.7332 96 S 5.2109 8.4178 113.1834 56.7348 65.7294 173.5050 97 V 4.9634 9.1307 126.2516 61.3328 34.5094 174.1170 98 T 5.3323 9.4965 118.0979 60.1604 71.7150 173.0282 99 F 5.3797 8.6210 117.6795 55.9340 42.2574 172.8388 100 K 5.1702 9.3934 118.6208 54.6592 35.6896 175.3869 101 V 4.8349 9.1117 123.7680 62.1746 33.9247 175.9725 102 K 4.2029 8.9967 126.9322 57.0946 32.7475 174.5440 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 H 8.67 4.93 0.00 3.39 3.50 0.00 5.09 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 P 0.00 4.56 0.00 2.22 2.10 0.00 3.84 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 1.94 2.00 0.00 3 K 9.38 4.94 0.00 1.67 1.82 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.70 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.52 7.81 4 L 8.71 3.82 0.00 1.13 1.54 -0.30 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.21 4.15 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 0.73 0.00 0.00 0.95 0.00 0.00 6 S 7.36 4.71 0.00 3.80 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 7 S 8.44 4.98 0.00 3.83 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.59 4.49 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 1.16 0.00 0.00 9 P 0.00 4.46 0.00 1.76 1.73 0.00 3.16 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.45 0.00 10 A 8.11 4.35 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 11 E 8.67 4.21 0.00 1.99 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 2.36 2.46 0.00 12 G 9.46 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 13 S 7.97 4.45 0.00 4.08 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 14 E 8.42 5.07 0.00 1.87 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 2.26 2.33 0.00 15 G 8.33 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 16 A 8.96 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 17 A 8.35 4.12 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 18 P 0.00 4.37 0.00 2.23 1.85 0.00 3.73 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 1.81 1.49 0.00 19 A 8.45 4.12 1.27 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 0.00 0.00 0.00 20 K 7.44 4.68 0.00 1.70 1.72 0.00 1.51 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.41 7.81 21 I 8.77 4.55 1.87 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 0.97 0.56 0.87 0.00 0.00 22 E 9.11 5.02 0.00 1.77 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 23 L 8.89 4.62 0.00 1.43 0.88 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.52 5.10 0.00 2.92 3.05 0.00 5.56 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 F 9.06 5.27 0.00 2.80 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 26 S 8.87 4.46 0.00 3.92 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 27 E 8.01 4.89 0.00 1.85 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 2.22 2.33 0.00 28 N 8.79 4.61 0.00 2.62 2.78 0.00 0.00 6.97 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 29 L 8.60 4.46 0.00 1.48 1.51 0.65 0.65 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 30 V 8.92 3.92 2.26 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 1.01 0.00 0.00 1.01 0.00 0.00 31 T 8.61 3.88 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 1.17 0.00 0.00 32 Q 7.77 3.89 0.00 1.78 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.82 0.00 0.00 0.00 0.00 0.00 1.60 1.16 0.00 33 F 7.37 4.95 0.00 3.06 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 34 S 7.38 4.96 0.00 3.76 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 35 G 8.83 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 36 A 8.44 5.36 1.38 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 0.00 0.00 0.00 37 K 9.21 4.64 0.00 1.84 1.66 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.38 7.81 38 L 8.58 5.26 0.00 1.90 1.59 1.14 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.91 4.89 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 0.96 0.00 0.00 0.96 0.00 0.00 40 M 9.10 4.35 0.00 1.93 1.69 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 2.11 0.00 41 T 8.49 4.34 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 1.14 0.00 0.00 42 A 7.20 4.56 1.13 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 43 M 8.31 4.92 0.00 1.92 1.89 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 2.40 2.42 0.00 44 P 0.00 4.09 0.00 2.03 2.10 0.00 3.69 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 2.04 2.14 0.00 *50 P 0.00 4.42 0.00 1.93 1.98 0.00 3.59 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.09 0.00 51 M 8.61 4.79 0.00 1.92 1.90 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 2.46 2.43 0.00 52 A 8.81 4.52 1.24 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 53 V 8.59 4.38 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 0.87 0.00 0.00 1.17 0.00 0.00 54 K 8.72 4.14 0.00 1.90 1.71 0.00 1.81 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.53 1.48 7.81 55 A 8.40 5.06 1.23 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 0.00 0.00 0.00 56 A 8.92 4.43 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 57 V 8.33 5.01 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 0.92 0.00 0.00 1.02 0.00 0.00 58 S 9.15 4.72 0.00 3.87 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 59 G 8.70 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 0.00 0.00 0.00 60 G 8.54 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 0.00 0.00 0.00 61 G 8.96 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 62 D 7.68 5.06 0.00 2.81 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 63 P 0.00 4.38 0.00 2.25 2.35 0.00 3.69 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 2.21 2.00 0.00 64 K 8.45 4.56 0.00 2.07 2.15 0.00 1.63 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.48 7.81 65 T 7.92 5.16 4.35 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 1.14 0.00 0.00 66 M 9.09 5.11 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 67 V 9.13 4.88 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 1.03 0.00 0.00 0.91 0.00 0.00 68 I 9.05 4.87 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.51 0.96 0.00 0.00 69 T 8.98 4.80 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 70 P 0.00 4.72 0.00 2.07 1.99 0.00 3.80 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 1.99 2.09 0.00 71 A 8.94 4.32 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 72 S 7.79 4.71 0.00 3.94 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 73 P 0.00 4.30 0.00 2.08 2.05 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 74 L 8.30 4.17 0.00 1.56 1.42 0.51 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.50 4.27 4.30 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 1.27 0.00 0.00 76 A 8.61 4.26 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 77 G 7.54 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 0.00 0.00 0.00 78 T 7.68 4.93 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 1.17 0.00 0.00 79 Y 8.78 4.96 0.00 1.53 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 80 K 9.11 5.01 0.00 1.72 1.59 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.38 7.81 81 V 9.31 4.76 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 1.14 0.00 0.00 1.23 0.00 0.00 82 D 8.90 5.29 0.00 2.68 2.53 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 83 W 8.60 5.56 0.00 3.55 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 84 R 9.38 5.20 0.00 1.92 1.86 0.00 3.06 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 85 A 9.69 4.90 0.66 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 0.00 0.00 86 V 8.66 4.71 2.21 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 0.85 0.00 0.00 1.06 0.00 0.00 87 S 8.34 5.13 0.00 4.12 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 88 S 8.68 4.28 0.00 4.03 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 89 D 8.10 4.53 0.00 2.99 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 90 T 7.97 3.32 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 1.08 0.00 0.00 91 F 7.92 4.24 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 92 P 0.00 4.76 0.00 2.10 2.05 0.00 3.81 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 2.01 1.97 0.00 93 I 8.98 4.78 2.17 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 1.45 1.34 1.27 0.00 0.00 94 T 8.07 4.58 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 1.13 0.00 0.00 95 G 6.31 3.35 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 0.00 96 S 8.42 5.21 0.00 3.74 3.67 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 0.00 0.00 0.00 0.00 97 V 9.13 4.96 2.33 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 1.13 0.00 0.00 1.18 0.00 0.00 98 T 9.50 5.33 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 1.23 0.00 0.00 99 F 8.62 5.38 0.00 3.24 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 0.00 100 K 9.39 5.17 0.00 1.77 1.77 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.38 7.81 101 V 9.11 4.83 2.48 0.00 0.00 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 1.10 0.00 0.00 102 K 9.00 4.20 0.00 1.89 1.76 0.00 1.82 0.00 0.00 1.79 0.00 0.00 3.15 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.