NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4253 8.3349 115.2900 58.0831 63.5694 172.6134 -1 N 5.0921 8.4340 122.7871 51.2175 41.9659 173.2853 0 A 4.4547 9.5030 124.9585 51.0241 22.9062 175.1291 0 L 4.4747 9.4230 122.9585 53.6241 46.2062 174.9291 3 R 4.3176 8.6950 124.6824 56.6191 30.7478 175.7512 4 Y 4.8907 8.8575 126.4374 56.4245 40.3037 175.7603 5 G 3.6504 8.1765 118.7682 46.6515 0.0000 172.2952 6 D 4.5405 8.7147 124.1899 54.5690 41.4522 175.3321 7 T 4.7280 7.7375 108.1005 60.3826 71.5300 172.3583 8 E 5.2345 8.4941 120.7694 54.7162 32.3881 175.5113 9 I 4.3497 8.3247 124.4492 60.2448 38.7792 174.4715 10 C 4.8148 8.6639 127.3350 57.9936 32.7513 172.6185 11 I 4.5494 8.3131 126.3730 59.4977 40.3619 174.5706 12 D 4.6298 8.6551 126.7438 52.2774 40.9892 175.0786 13 P 4.3644 0.0000 0.0000 65.0610 31.5654 177.9786 14 S 4.3774 7.8269 111.7061 59.6817 63.4343 174.6156 15 E 4.5449 7.7916 119.9505 54.9684 31.2301 173.8348 16 S 4.6365 7.8864 116.2691 55.5725 65.5852 175.4631 17 V 3.9135 8.3350 124.9218 63.2745 31.2689 177.8522 18 L 3.9022 8.1261 122.4080 58.5092 41.5934 178.0261 19 H 4.0582 7.8621 116.9284 59.2460 30.1149 176.6378 20 L 4.0784 7.8939 121.3028 58.3144 41.8594 178.6395 21 L 4.1130 7.9592 117.6729 57.7877 41.5699 179.4318 22 G 3.6836 7.9690 104.5182 45.8653 0.0000 174.5599 23 K 3.9538 7.4290 120.7417 55.8656 32.7080 176.2123 24 K 3.7531 8.3673 122.6120 58.6873 32.4477 176.3906 25 Y 4.0506 8.4290 122.3673 58.7650 36.4953 171.6456 26 T 4.0990 7.7642 113.9196 64.3143 67.9989 175.9540 *28 L 4.2900 8.0007 124.0174 55.0392 43.9573 179.3477 29 I 3.6303 8.4007 119.5826 64.4876 36.7867 178.3039 30 I 3.7112 7.5777 119.0752 64.6508 37.1763 178.3685 31 S 4.2764 7.9738 115.1381 61.8653 62.7483 177.1329 32 V 3.7155 8.1041 115.1747 64.1054 31.0383 178.5523 33 L 4.1705 8.0349 118.0446 56.6848 41.4301 177.9990 34 G 3.9405 7.4687 105.7989 45.2188 0.0000 173.4474 35 N 4.5700 8.1021 118.4063 52.2326 39.7930 175.2865 36 G 3.8321 8.2904 106.5294 46.7612 0.0000 173.3638 37 S 4.7495 8.5730 114.2745 58.1812 64.2326 173.8324 38 T 4.7281 7.4861 109.1548 59.5304 71.4734 173.6828 39 R 4.0960 8.5479 122.0030 57.1555 30.8428 175.9241 40 Q 4.9450 8.4526 120.4150 54.4126 31.8181 175.4491 41 N 5.5356 9.0985 120.6926 51.2489 39.6708 175.8693 42 F 4.0068 9.1451 119.6015 61.4396 39.3038 176.3270 43 N 4.3476 8.4422 116.3347 56.6301 38.5874 176.3085 44 D 4.3509 8.6556 119.9177 57.4526 41.3645 178.6934 45 I 3.7227 7.4565 119.5511 64.3688 37.2275 178.4112 46 R 3.6109 7.7099 119.5610 59.6218 29.6394 178.7553 47 S 4.1671 8.0941 113.7763 61.1705 62.8624 176.0451 48 S 4.5367 7.6045 115.6214 58.6478 64.3515 174.6246 49 I 4.4207 7.2526 122.9597 57.4441 36.9650 171.2382 50 P 4.2453 0.0000 0.0000 64.2613 31.7356 177.1250 51 G 3.9958 8.9115 111.4131 45.3259 0.0000 173.4024 52 I 3.1079 7.0319 120.4768 60.5005 38.4927 176.2538 53 S 4.4769 8.1279 122.1780 57.7265 65.4302 175.4192 54 S 4.3143 8.5682 119.1547 62.2135 62.6611 177.1113 55 T 3.8930 7.8980 117.7349 66.8675 68.2156 176.5694 56 I 3.7496 7.7991 121.5480 64.2000 37.0674 178.2556 57 L 3.7766 8.0446 121.3734 58.1567 41.8485 179.0262 58 S 4.2861 8.5716 113.3920 61.4250 62.4632 176.1142 59 R 3.9223 8.1481 121.4404 59.5591 29.8570 178.7790 60 R 3.9912 8.3735 118.2525 59.1490 29.9918 179.0521 61 I 3.7050 7.9598 119.8280 64.2460 37.0337 178.3321 62 K 4.0045 8.2538 120.4544 59.7399 32.0286 178.6351 63 D 4.4031 8.1071 118.9231 57.2576 40.7342 178.7590 64 L 4.0585 8.4874 120.0780 57.6555 41.6059 179.6120 65 I 4.4201 8.1476 121.5528 64.2311 36.8995 178.1864 66 D 4.4474 8.2578 118.6228 57.2646 40.7334 178.2678 67 S 4.5374 8.0208 112.8967 58.1920 63.1163 174.9941 68 G 3.9371 7.8429 109.8791 46.0001 0.0000 174.4309 69 L 4.5573 8.0272 121.0777 55.2821 43.5055 176.7044 70 V 5.1495 7.7414 117.6973 60.8971 35.5378 173.9669 71 E 5.0301 9.2451 123.0803 54.5692 33.2274 174.0990 72 R 4.5978 8.5772 121.5791 54.7984 32.0592 174.9664 73 R 4.4235 8.8170 127.1012 54.8287 32.1517 174.8455 74 S 4.7508 8.7329 123.2673 56.9963 63.2990 173.4966 75 G 4.2219 8.5344 119.6421 44.9954 0.0000 173.3492 76 Q 4.0989 8.8971 119.7093 57.7725 29.2242 176.0226 77 I 4.6148 7.5094 109.7466 59.0386 40.3328 173.7105 78 T 5.0071 8.2249 117.5943 62.2527 70.5599 173.9611 79 T 4.9070 8.5064 115.4669 60.2622 73.1000 172.1600 80 Y 5.2897 9.0064 118.0133 56.6131 42.3806 174.5814 81 A 4.8224 8.6821 122.0762 50.5853 23.3016 175.7278 82 L 4.6372 8.4594 119.8864 54.8852 42.5735 177.4782 83 T 4.2148 8.2798 113.7157 60.8963 69.8065 174.1931 84 E 4.0803 8.9765 121.9526 59.4710 29.8037 178.1205 85 K 4.1287 8.2872 117.6817 59.5739 32.3890 180.2938 86 G 3.9462 8.0258 105.9995 46.0265 0.0000 175.0918 *88 N 4.6110 8.3469 118.7000 52.9939 40.7821 176.9942 89 V 3.5909 7.9798 117.3377 66.1661 31.2443 178.0501 90 R 3.9063 7.9448 117.1225 59.4213 29.9917 177.7197 91 N 4.4621 8.1150 114.8414 56.6935 38.6936 177.0726 92 S 4.3593 7.7933 114.2207 60.3688 63.4278 175.3999 93 L 4.2097 7.7929 124.2550 54.9478 42.3821 176.7211 *95 P 4.3610 0.0000 0.0000 62.1772 33.8107 179.1281 96 L 3.9850 7.9348 119.1017 58.2420 42.0644 178.8365 97 L 3.9733 8.0610 118.9964 57.6368 41.6395 179.0856 98 Q 3.9680 8.1520 119.1032 59.6477 28.8763 178.0019 99 Y 4.2536 8.1311 120.2909 60.6336 38.7349 177.4422 100 I 3.5444 8.1397 121.4745 64.5720 37.0078 178.4313 101 S 4.0423 7.9773 113.8101 61.2556 63.1282 176.4838 102 V 3.6265 7.4447 121.3610 65.7983 31.2411 177.8377 103 L 3.7803 7.5285 118.8896 58.0604 41.2096 179.4028 104 D 4.2922 8.0393 117.5818 56.9350 40.7635 178.3918 105 R 4.0481 7.4285 116.6842 57.0438 30.3220 176.2036 106 N 4.6488 8.0438 121.0641 53.3043 39.1382 174.0195 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 S 8.33 4.43 0.00 3.85 3.83 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 -1 N 8.43 5.09 0.00 2.69 2.67 0.00 0.00 6.90 6.46 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 A 9.50 4.45 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 0 L 9.42 4.47 0.00 1.29 1.48 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 3 R 8.70 4.32 0.00 1.77 1.88 0.00 3.43 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 4 Y 8.86 4.89 0.00 2.85 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 5 G 8.18 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 6 D 8.71 4.54 0.00 2.58 2.62 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 0.00 0.00 0.00 0.00 7 T 7.74 4.73 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 1.15 0.00 0.00 8 E 8.49 5.23 0.00 1.85 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 2.22 2.31 0.00 9 I 8.32 4.35 1.88 0.00 0.00 0.72 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 0.65 0.91 0.00 0.00 10 C 8.66 4.81 0.00 2.98 2.84 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 11 I 8.31 4.55 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.05 0.91 0.00 0.00 12 D 8.66 4.63 0.00 2.67 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 13 P 0.00 4.36 0.00 2.08 2.10 0.00 3.72 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 14 S 7.83 4.38 0.00 3.93 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.79 4.54 0.00 1.96 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 2.23 2.22 0.00 16 S 7.89 4.64 0.00 3.92 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 17 V 8.34 3.91 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 0.74 0.00 0.00 0.95 0.00 0.00 18 L 8.13 3.90 0.00 1.77 1.72 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 19 H 7.86 4.06 0.00 3.18 3.44 0.00 6.01 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 20 L 7.89 4.08 0.00 1.83 1.84 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.96 4.11 0.00 1.89 1.72 0.92 0.82 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 22 G 7.97 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 0.00 0.00 0.00 23 K 7.43 3.95 0.00 1.97 1.74 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.64 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.49 7.81 24 K 8.37 3.75 0.00 1.56 1.66 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.82 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.30 0.96 7.81 25 Y 8.43 4.05 0.00 3.29 3.09 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 26 T 7.76 4.10 4.42 0.00 0.00 0.00 0.00 0.00 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 *28 L 8.00 4.29 0.00 1.99 1.80 1.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 29 I 8.40 3.63 2.00 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 1.41 0.98 0.84 0.00 0.00 30 I 7.58 3.71 1.87 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 1.53 0.59 0.92 0.00 0.00 31 S 7.97 4.28 0.00 4.02 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.10 3.72 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 0.79 0.00 0.00 0.97 0.00 0.00 33 L 8.03 4.17 0.00 1.84 1.76 0.93 0.73 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 34 G 7.47 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 35 N 8.10 4.57 0.00 2.86 2.79 0.00 0.00 6.99 7.45 0.00 0.00 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 8.29 3.83 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 0.00 0.00 0.00 37 S 8.57 4.75 0.00 3.83 3.85 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 38 T 7.49 4.73 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 39 R 8.55 4.10 0.00 1.73 1.94 0.00 3.18 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 40 Q 8.45 4.95 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 41 N 9.10 5.54 0.00 2.99 3.06 0.00 0.00 6.51 8.04 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 42 F 9.15 4.01 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 43 N 8.44 4.35 0.00 2.97 2.98 0.00 0.00 7.20 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 44 D 8.66 4.35 0.00 2.88 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.46 3.72 1.62 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.18 0.66 0.00 0.00 46 R 7.71 3.61 0.00 1.44 1.88 0.00 3.09 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 47 S 8.09 4.17 0.00 4.02 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 48 S 7.60 4.54 0.00 3.98 3.87 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 0.00 0.00 0.00 49 I 7.25 4.42 1.71 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.18 0.95 0.00 0.00 50 P 0.00 4.25 0.00 2.07 2.05 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 51 G 8.91 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 0.00 0.00 0.00 52 I 7.03 3.11 1.02 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 -0.36 0.61 0.00 0.00 53 S 8.13 4.48 0.00 4.08 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 54 S 8.57 4.31 0.00 3.96 4.12 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 55 T 7.90 3.89 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 56 I 7.80 3.75 1.79 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 1.43 1.06 1.00 0.00 0.00 57 L 8.04 3.78 0.00 1.51 1.67 0.59 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.57 4.29 0.00 4.09 4.05 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 0.00 0.00 0.00 59 R 8.15 3.92 0.00 2.05 2.06 0.00 3.17 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 60 R 8.37 3.99 0.00 1.83 1.97 0.00 3.38 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.86 0.00 61 I 7.96 3.71 2.09 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.63 0.99 0.00 0.00 62 K 8.25 4.00 0.00 1.87 2.01 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.52 7.81 63 D 8.11 4.40 0.00 2.94 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.49 4.06 0.00 1.85 1.74 0.92 0.86 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 65 I 8.15 4.42 2.07 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.10 0.95 0.00 0.00 66 D 8.26 4.45 0.00 2.79 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 67 S 8.02 4.54 0.00 3.92 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.84 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 69 L 8.03 4.56 0.00 1.64 1.73 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.74 5.15 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 1.22 0.00 0.00 0.97 0.00 0.00 71 E 9.25 5.03 0.00 2.06 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 2.18 2.44 0.00 72 R 8.58 4.60 0.00 1.79 1.80 0.00 3.17 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.87 0.00 73 R 8.82 4.42 0.00 1.79 1.67 0.00 3.10 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 74 S 8.73 4.75 0.00 3.74 3.77 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 75 G 8.53 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 0.00 0.00 0.00 0.00 76 Q 8.90 4.10 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 77 I 7.51 4.61 1.88 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 1.41 0.71 0.92 0.00 0.00 78 T 8.22 5.01 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 0.96 0.00 0.00 79 T 8.51 4.91 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 1.22 0.00 0.00 80 Y 9.01 5.29 0.00 2.85 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 81 A 8.68 4.82 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 82 L 8.46 4.64 0.00 1.56 1.63 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.28 4.21 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 84 E 8.98 4.08 0.00 1.95 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 2.31 2.36 0.00 85 K 8.29 4.13 0.00 2.03 1.85 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.45 7.81 86 G 8.03 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 *88 N 8.35 4.61 0.00 3.00 2.92 0.00 0.00 6.63 7.68 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 89 V 7.98 3.59 2.25 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 0.99 0.00 0.00 0.97 0.00 0.00 90 R 7.94 3.91 0.00 1.94 1.95 0.00 3.34 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 91 N 8.12 4.46 0.00 2.92 2.89 0.00 0.00 6.93 7.57 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 92 S 7.79 4.36 0.00 3.87 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.79 4.21 0.00 2.02 1.79 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 *95 P 0.00 4.36 0.00 2.25 2.13 0.00 3.86 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 2.02 2.09 0.00 96 L 7.93 3.99 0.00 1.76 1.88 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.06 3.97 0.00 1.74 1.71 0.92 0.78 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 98 Q 8.15 3.97 0.00 2.14 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.92 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 99 Y 8.13 4.25 0.00 3.08 2.99 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 0.00 100 I 8.14 3.54 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.67 0.86 0.00 0.00 101 S 7.98 4.04 0.00 3.99 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.44 3.63 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 0.97 0.00 0.00 1.01 0.00 0.00 103 L 7.53 3.78 0.00 1.64 1.54 0.79 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.04 4.29 0.00 2.75 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 0.00 105 R 7.43 4.05 0.00 1.92 1.95 0.00 3.27 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.78 0.00 106 N 8.04 4.65 0.00 2.75 3.12 0.00 0.00 6.81 8.37 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 * Residues marked with a * may have inaccurate shift predictions.