NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3447 8.2649 123.5822 51.4621 20.7125 177.5111 2 D 4.3379 8.3414 116.9444 54.9030 40.9075 174.9325 3 P 4.2573 0.0000 0.0000 62.3987 32.4922 175.6262 4 A 4.1915 8.5692 126.3367 52.0078 19.0570 176.2550 5 L 4.8027 8.1686 120.6115 52.4737 44.4013 176.5091 6 A 4.2831 8.3714 123.1834 52.3963 19.5355 176.6131 7 D 5.3500 8.6727 120.6893 53.6530 42.8364 176.4133 8 V 4.5466 8.7428 120.3918 59.9282 34.9453 174.5199 9 C 4.7489 8.8631 122.2499 56.7233 38.8192 174.4299 10 R 3.7827 8.7416 125.1116 59.7298 29.7089 178.8156 11 T 3.9541 7.5928 105.7450 63.7088 68.7291 174.9198 12 K 4.2660 7.6079 120.0775 56.4710 32.7094 176.8968 13 L 3.8944 7.2320 119.1815 53.3204 42.3035 175.7214 14 P 4.3410 0.0000 0.0000 62.5758 33.1775 177.9209 15 S 4.1016 8.5074 115.2959 61.8033 62.8807 176.8547 16 Q 4.1078 7.9942 120.9623 58.6159 28.5213 178.2291 17 A 3.9552 7.7265 121.3605 55.2380 18.4048 179.4870 18 Q 3.8781 7.8733 116.5168 59.0835 28.6634 178.6965 19 D 4.3716 8.2334 119.9523 57.8514 40.3795 179.1113 20 T 3.9558 8.0036 115.9902 66.5961 68.4392 176.6028 21 L 3.9567 7.9590 120.7005 57.8310 41.6609 179.5386 22 A 3.9699 8.1194 120.5687 55.0242 18.2714 179.6436 23 L 3.8609 8.2752 117.9096 57.9978 41.7311 179.6992 24 I 3.8179 8.4111 121.2079 63.8599 36.7973 178.4178 25 A 4.0507 7.9000 120.1997 54.5932 18.2862 178.9485 26 K 4.0673 7.9163 114.5730 55.7666 33.0345 176.0891 27 N 4.1193 8.8141 117.0843 54.5544 38.1809 174.7903 28 G 2.7885 7.5269 106.2912 44.0608 0.0000 171.7193 29 P 4.1308 0.0000 0.0000 63.0832 32.1022 175.0889 30 Y 4.8808 8.1118 118.2937 55.6056 39.9773 175.4353 31 P 4.1578 0.0000 0.0000 64.8882 31.8847 176.1697 32 Y 4.8939 7.9412 115.6190 55.6933 40.3397 176.5212 33 N 4.4314 8.9869 120.4152 56.4424 39.0059 176.3330 34 R 4.2758 8.0094 114.7779 56.3408 30.6710 175.7417 35 D 4.3073 7.6881 120.0662 55.6795 40.9145 176.8097 36 G 3.3794 7.7258 113.5244 44.5476 0.0000 173.9809 37 V 3.8651 7.0848 112.8966 60.8984 32.9386 175.8424 38 V 3.8944 8.2665 123.0055 63.1020 32.2524 175.1207 39 F 4.5328 8.6476 130.8727 56.7663 39.1389 175.6249 40 E 3.8131 8.2766 126.7045 57.1740 30.1411 176.4407 41 N 3.6031 6.1578 116.3184 54.1885 37.2034 175.9233 42 R 3.8183 7.5144 117.0324 58.9856 29.6778 177.9612 43 E 4.2781 8.0543 114.9663 55.7028 29.8147 176.4097 44 S 3.9305 7.6646 113.5369 59.5208 61.0913 174.0215 45 R 4.1142 7.5253 121.0173 58.0211 30.2249 177.1478 46 L 4.3075 7.3226 116.6490 51.5804 43.6119 174.4304 47 P 4.2142 0.0000 0.0000 62.7310 31.7130 176.4638 48 K 4.0241 8.5574 123.6086 56.5620 32.4165 175.9112 49 K 4.4201 8.2401 124.3608 54.0103 36.2214 175.6930 50 G 3.7897 7.9871 108.2836 45.1232 0.0000 172.7902 51 N 4.3200 8.4504 117.4041 54.7246 38.7699 176.0800 52 G 3.9384 8.9206 110.2984 45.6983 0.0000 173.6220 53 Y 3.9709 7.8666 121.8800 59.6947 39.1484 175.1747 54 Y 5.8456 7.7022 116.0330 55.8532 41.1613 174.7737 55 H 5.5581 8.7702 115.8694 54.0243 33.6793 172.1502 56 E 5.3290 8.8278 118.5288 54.8499 32.7995 174.8790 57 F 5.1730 8.9979 118.8976 56.1992 43.7905 174.1851 58 T 4.4262 9.5265 120.3500 63.5453 69.2084 174.1406 59 V 4.6464 8.1770 125.1743 59.9479 33.5771 175.7059 60 V 3.8128 8.7123 127.7984 63.2832 32.0997 174.9197 61 T 4.5369 8.4190 123.6145 61.5396 70.1253 174.1057 62 P 4.4985 0.0000 0.0000 61.4591 30.2833 175.0719 *66 D 4.6259 7.7077 119.2397 54.8774 43.5301 176.3196 67 R 3.7166 7.9673 118.3320 57.4349 30.2900 176.7207 68 G 3.7954 8.0465 103.3451 44.6712 0.0000 171.8843 69 T 4.2876 8.0396 106.0085 61.8801 70.8975 174.8108 70 R 4.3757 7.7679 122.5085 56.1513 31.5709 175.6861 71 R 5.2409 8.9669 121.1982 54.8522 35.4814 173.9505 72 V 5.1039 9.0546 120.9877 61.2875 34.7219 174.3862 73 V 5.2001 9.1165 127.2736 61.4139 34.2828 174.3522 74 T 5.1904 9.4185 118.2232 60.3693 71.6959 173.7986 75 G 4.2723 8.8671 110.5377 43.9415 0.0000 174.6054 76 G 3.0604 5.7943 107.9154 47.2317 0.0000 174.0801 77 Y 4.4815 8.1597 116.2437 57.7760 38.2944 176.4282 78 G 4.0070 8.2300 107.8803 44.8973 0.0000 174.0905 79 E 4.1568 8.0351 119.0721 56.6694 30.9437 175.9625 80 Q 5.0205 8.2412 120.3883 54.5108 33.1901 173.6002 81 Y 5.3519 9.4884 121.0048 55.9871 42.0664 174.1537 82 W 5.3624 9.7531 133.0503 55.9345 33.4944 174.7484 83 S 4.2454 8.6294 121.2802 55.7324 64.1813 172.4946 84 P 3.7838 0.0000 0.0000 63.5267 31.7694 175.8893 85 D 4.5873 6.7634 119.4882 53.9825 40.0600 174.6373 86 H 3.2308 8.7353 114.3951 58.5665 28.6508 174.1777 87 Y 3.0713 7.5582 111.6696 58.2585 36.2491 171.0508 88 A 4.1090 7.5991 125.1593 54.7298 18.5566 178.5702 89 T 4.7180 7.6713 102.9864 59.9008 72.0197 173.0115 90 F 5.1286 8.4692 119.5194 55.9202 43.1320 174.2147 91 Q 4.9949 9.3605 121.0134 54.1230 32.3474 174.1844 92 E 4.5705 9.3874 125.4053 55.5720 31.0823 175.2719 93 I 4.4441 8.5817 129.3082 61.0781 38.1954 175.0423 94 D 4.7677 9.3376 128.7379 52.3567 41.6704 175.0998 95 P 4.4960 0.0000 0.0000 64.0734 31.8035 177.1121 96 R 4.2862 8.2588 117.8812 57.2549 30.8850 174.0488 97 C 4.4155 7.7363 118.4927 55.6885 42.5881 173.6793 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 A 8.26 4.34 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 2 D 8.34 4.34 0.00 2.76 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 3 P 0.00 4.26 0.00 2.19 2.09 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 2.00 1.97 0.00 4 A 8.57 4.19 1.29 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 0.00 0.00 5 L 8.17 4.80 0.00 1.77 1.73 1.04 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.37 4.28 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 7 D 8.67 5.35 0.00 2.61 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 8 V 8.74 4.55 2.38 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 0.90 0.00 0.00 0.93 0.00 0.00 9 C 8.86 4.75 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 10 R 8.74 3.78 0.00 1.90 2.03 0.00 3.32 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 11 T 7.59 3.95 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 1.22 0.00 0.00 12 K 7.61 4.27 0.00 1.89 1.86 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.53 7.81 13 L 7.23 3.89 0.00 1.50 1.07 0.71 0.29 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 14 P 0.00 4.34 0.00 1.99 1.93 0.00 2.67 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 1.92 2.11 0.00 15 S 8.51 4.10 0.00 4.01 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 0.00 16 Q 7.99 4.11 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 17 A 7.73 3.96 0.68 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 0.00 0.00 18 Q 7.87 3.88 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 19 D 8.23 4.37 0.00 2.91 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 20 T 8.00 3.96 4.47 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 1.37 0.00 0.00 21 L 7.96 3.96 0.00 1.84 1.69 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.12 3.97 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 23 L 8.28 3.86 0.00 1.95 1.76 1.03 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.41 3.82 1.86 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 1.45 0.71 0.00 0.00 25 A 7.90 4.05 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 26 K 7.92 4.07 0.00 1.79 1.78 0.00 1.84 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.62 1.52 7.81 27 N 8.81 4.12 0.00 2.84 2.82 0.00 0.00 7.18 7.58 0.00 0.00 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 G 7.53 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 0.00 0.00 0.00 29 P 0.00 4.13 0.00 1.98 1.96 0.00 3.54 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 30 Y 8.11 4.88 0.00 3.23 3.22 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 0.00 31 P 0.00 4.16 0.00 1.54 2.03 0.00 4.18 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 2.20 2.05 0.00 32 Y 7.94 4.89 0.00 3.39 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 33 N 8.99 4.43 0.00 2.79 2.95 0.00 0.00 6.99 7.66 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 34 R 8.01 4.28 0.00 1.89 1.95 0.00 3.14 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 35 D 7.69 4.31 0.00 2.77 2.36 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 36 G 7.73 3.38 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 0.00 37 V 7.08 3.87 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 0.65 0.00 0.00 0.94 0.00 0.00 38 V 8.27 3.89 2.04 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 0.75 0.00 0.00 0.93 0.00 0.00 39 F 8.65 4.53 0.00 2.96 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 40 E 8.28 3.81 0.00 1.64 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 2.20 2.14 0.00 41 N 6.16 3.60 0.00 2.77 2.72 0.00 0.00 7.24 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 42 R 7.51 3.82 0.00 1.67 1.88 0.00 3.16 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.41 0.00 43 E 8.05 4.28 0.00 2.11 1.99 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 2.39 2.38 0.00 44 S 7.66 3.93 0.00 4.00 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 45 R 7.53 4.11 0.00 2.19 2.24 0.00 3.41 0.00 0.00 3.54 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.83 0.00 46 L 7.32 4.31 0.00 1.10 0.90 -0.70 -0.72 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 47 P 0.00 4.21 0.00 2.12 2.04 0.00 3.64 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.16 0.00 48 K 8.56 4.02 0.00 1.69 1.70 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.44 7.81 49 K 8.24 4.42 0.00 1.18 0.74 0.00 0.76 0.00 0.00 1.31 0.00 0.00 2.85 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.21 0.25 7.81 50 G 7.99 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 51 N 8.45 4.32 0.00 2.72 2.78 0.00 0.00 6.98 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 52 G 8.92 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 53 Y 7.87 3.97 0.00 2.94 2.52 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 54 Y 7.70 5.85 0.00 3.41 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 55 H 8.77 5.56 0.00 3.18 2.98 0.00 5.56 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.83 5.33 0.00 2.12 2.05 0.00 0.00 0.00 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 2.34 0.00 57 F 9.00 5.17 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 58 T 9.53 4.43 4.50 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 1.07 0.00 0.00 59 V 8.18 4.65 2.28 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 1.10 0.00 0.00 1.23 0.00 0.00 60 V 8.71 3.81 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 0.93 0.00 0.00 1.07 0.00 0.00 61 T 8.42 4.54 4.27 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 1.24 0.00 0.00 62 P 0.00 4.50 0.00 2.19 2.11 0.00 3.84 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 1.98 1.97 0.00 *66 D 7.71 4.63 0.00 2.69 2.83 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 0.00 0.00 0.00 67 R 7.97 3.72 0.00 1.55 1.74 0.00 2.49 0.00 0.00 2.92 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.50 0.00 68 G 8.05 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 0.00 0.00 0.00 69 T 8.04 4.29 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 1.09 0.00 0.00 70 R 7.77 4.38 0.00 2.08 2.13 0.00 3.18 0.00 0.00 3.52 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.75 0.00 71 R 8.97 5.24 0.00 1.47 1.85 0.00 3.32 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.97 0.00 72 V 9.05 5.10 2.32 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 1.17 0.00 0.00 1.19 0.00 0.00 73 V 9.12 5.20 2.05 0.00 0.00 0.00 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 0.57 0.00 0.00 74 T 9.42 5.19 4.36 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 1.33 0.00 0.00 75 G 8.87 4.27 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 0.00 76 G 5.79 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 0.00 0.00 0.00 77 Y 8.16 4.48 0.00 3.16 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 78 G 8.23 4.01 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 0.00 0.00 0.00 79 E 8.04 4.16 0.00 2.15 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 2.57 2.50 0.00 80 Q 8.24 5.02 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 81 Y 9.49 5.35 0.00 3.00 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 82 W 9.75 5.36 0.00 3.32 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 83 S 8.63 4.25 0.00 3.09 3.23 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 84 P 0.00 3.78 0.00 1.99 1.74 0.00 3.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 85 D 6.76 4.59 0.00 2.69 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 86 H 8.74 3.23 0.00 2.97 3.13 0.00 5.82 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 7.56 3.07 0.00 3.20 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 88 A 7.60 4.11 1.29 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 0.00 0.00 89 T 7.67 4.72 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 1.16 0.00 0.00 90 F 8.47 5.13 0.00 2.84 2.95 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 91 Q 9.36 4.99 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 92 E 9.39 4.57 0.00 2.21 1.89 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 2.18 2.02 0.00 93 I 8.58 4.44 1.96 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 1.17 0.79 0.88 0.00 0.00 94 D 9.34 4.77 0.00 2.67 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.50 0.00 2.20 2.13 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 96 R 8.26 4.29 0.00 1.89 2.00 0.00 3.15 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 97 C 7.74 4.42 0.00 3.04 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 * Residues marked with a * may have inaccurate shift predictions.