NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3414 0.0000 0.0000 62.1832 32.9261 176.6243 6 T 3.9559 8.0845 112.7349 61.1885 70.4833 173.9364 7 I 3.6872 8.2788 120.7346 64.4729 37.6817 178.8501 8 N 4.4387 8.2070 117.4880 56.9610 38.5501 175.9183 9 Q 3.9532 8.2832 120.7816 59.6139 29.1076 178.6382 10 L 3.9842 8.2207 119.9491 58.4603 41.3909 178.6741 11 V 3.7384 8.9851 119.2026 63.9123 31.2196 178.0066 12 R 3.9752 7.6229 120.4489 58.8342 30.5971 177.9976 13 K 4.2727 8.0930 116.2966 57.3116 33.3577 177.2342 14 G 4.1287 7.2938 105.2035 45.0704 0.0000 173.5536 15 R 4.0725 8.2499 118.9727 55.7804 30.8137 175.8277 16 E 4.4423 8.3311 120.3902 54.1261 30.3975 175.8938 17 K 3.9306 8.5635 125.8023 56.9400 32.6259 175.8918 18 V 4.2203 7.9091 119.5154 61.4455 33.3485 174.9840 19 R 4.3900 8.0609 119.9883 53.9189 32.3153 175.4936 20 K 3.9962 8.6895 125.2964 55.8050 31.9556 176.6332 21 K 4.3033 8.3545 127.4942 54.4792 31.7604 176.3433 22 S 4.0555 8.4003 118.2542 58.9228 62.5636 174.4284 23 K 4.4096 8.4135 123.5379 56.4786 32.7478 177.4444 24 V 4.0696 7.4846 118.4774 60.6220 31.9234 173.3372 25 P 4.4475 0.0000 0.0000 61.5509 29.5289 176.7200 26 A 4.3867 7.6775 117.6842 50.8724 19.6098 175.5352 27 L 3.1983 7.8899 123.2695 56.4980 42.8281 174.7026 28 K 3.6419 9.2231 121.1209 56.1741 30.9959 175.0033 29 G 3.9131 8.1352 101.9174 46.4040 0.0000 173.1043 30 A 3.8211 7.6173 120.3279 51.3413 18.8673 176.2986 31 P 4.0199 0.0000 0.0000 65.4290 31.5475 176.6391 32 F 5.2359 7.5024 112.8572 56.1508 43.2480 174.0642 33 R 4.8528 8.9831 121.3703 54.6808 33.6290 174.4345 34 R 4.9673 8.4990 121.8137 55.1591 32.9681 174.7083 35 G 4.4880 7.8840 104.0902 46.5808 0.0000 172.9600 36 V 4.3842 8.0630 120.2800 62.1241 33.8073 174.1134 37 C 4.4574 8.3234 125.8418 60.3995 32.4440 172.1074 38 T 3.9580 9.1919 125.0551 65.1595 67.4073 176.1729 39 V 4.1379 8.4246 124.1397 61.8104 34.8430 175.4371 40 V 4.6153 7.6584 121.1772 62.3360 29.4648 176.0176 41 R 4.4427 7.7656 122.1957 57.0486 31.8151 174.8275 42 T 4.9444 8.2330 105.5816 61.0646 71.6638 173.2409 43 V 4.4998 8.9999 124.0579 61.2441 35.3400 174.3390 44 T 4.7319 8.3392 120.5667 59.9436 67.4682 172.5448 45 P 4.6087 0.0000 0.0000 62.9883 32.3415 176.8486 46 K 4.2801 8.9795 121.3711 58.7937 33.0918 179.6712 47 K 4.1092 6.7030 112.2682 55.6248 35.4711 173.7565 48 P 4.8054 0.0000 0.0000 62.3297 32.1176 174.1799 49 N 5.1930 8.5031 116.1113 51.9843 42.4564 173.4261 50 S 4.7241 7.7918 112.1701 57.2032 65.8794 173.6225 51 A 4.2050 7.6284 121.4464 52.3183 23.1195 174.7820 52 L 4.9631 8.4425 113.6703 53.2297 41.6896 176.4176 53 R 4.3162 8.6761 120.8373 55.4615 32.4907 176.2838 54 K 4.4249 8.3452 122.4676 55.7866 32.6034 175.9542 55 V 4.2959 7.3600 128.7133 64.4064 34.4802 175.4225 56 A 5.4652 8.2423 120.9096 51.3890 20.6923 175.7487 57 K 4.2127 7.8942 120.1071 57.4689 33.5818 175.8771 58 V 4.7307 8.3830 122.3208 61.2539 35.5240 174.5359 59 R 4.3623 8.9565 127.2932 54.2711 28.9605 174.6695 60 L 4.4779 8.7341 123.4090 54.6156 42.6140 178.6556 61 T 4.0265 9.1806 113.5930 64.3047 69.0500 176.1411 62 S 4.1625 8.0644 116.2335 59.9170 62.9621 174.8963 63 G 4.0691 7.8658 106.9965 45.2826 0.0000 172.9703 64 Y 4.5567 7.9716 118.3749 56.9283 40.7769 174.4444 65 E 5.6598 8.3902 118.7986 55.1734 33.1280 175.6064 66 V 4.6534 8.1627 116.5737 59.6865 36.0250 173.9075 67 T 4.1980 8.6625 113.5811 61.9603 69.8330 172.8029 68 A 5.0433 8.1564 128.4223 49.8489 20.3598 175.2944 69 Y 4.2672 8.6410 122.9189 58.9972 40.4690 175.4162 70 I 4.6256 6.1818 124.0577 58.5394 39.4357 174.1548 71 P 4.6544 0.0000 0.0000 63.2582 32.1709 176.8872 72 G 3.8150 8.7090 104.6864 45.7399 0.0000 173.6906 73 E 4.0536 8.4352 118.3734 58.3546 30.0064 177.4922 74 G 3.8812 7.8307 108.3316 44.4570 0.0000 172.3330 75 H 5.1284 8.4594 119.9798 53.7479 31.6547 172.6815 76 N 4.8691 8.3726 114.9992 52.2152 37.2086 175.0407 77 L 4.3368 8.4267 120.5052 54.6841 41.4693 177.1884 78 Q 4.2897 7.9297 124.8624 55.4580 29.7532 177.6638 79 E 4.1553 8.6602 119.3333 57.5000 30.5279 176.5543 80 H 4.8598 9.2085 113.8627 54.3055 32.0536 174.6022 81 S 4.5249 9.7057 118.5617 58.3297 61.7178 172.2415 82 V 3.7575 8.0624 126.9849 62.3036 30.7819 175.9162 83 V 5.0080 8.2576 123.8783 60.6234 33.2174 173.7536 84 L 4.8214 8.2653 120.5991 54.4290 45.4300 176.1640 85 I 4.7758 9.1344 128.4227 60.7547 38.6271 176.4382 86 R 4.8984 8.6637 119.8737 55.0382 30.6987 173.2574 87 G 3.7705 8.4449 113.8094 44.3645 0.0000 172.7066 88 G 3.9395 8.1901 119.5787 44.5285 0.0000 172.4236 89 R 4.1540 7.8789 126.0463 56.0348 30.8074 177.5705 90 V 4.0980 7.2764 119.3378 60.9466 31.2765 177.4948 91 K 4.3977 7.3441 123.7032 58.9074 34.0640 176.1204 92 D 4.6255 7.9895 116.1093 54.8075 41.1033 176.0052 93 L 4.7569 8.0729 121.7454 51.4489 41.8633 173.2235 94 P 4.2452 0.0000 0.0000 64.0389 32.0881 175.6589 95 G 4.3915 9.0955 117.4763 45.9583 0.0000 174.1994 96 V 3.9200 7.8003 121.3593 62.2248 31.6456 176.7105 97 R 4.5979 8.3624 122.4276 55.3536 30.2079 175.0275 98 Y 4.7255 8.2197 117.9536 58.5169 42.0911 174.6048 99 H 5.0631 8.8320 122.9855 55.6882 30.7500 174.0302 100 I 4.6840 7.9139 120.0842 59.0464 39.6997 175.3253 101 V 3.6842 8.8348 129.9822 62.5644 31.0946 177.1669 102 R 4.4745 8.3083 133.6067 56.4082 30.0328 176.5095 103 G 4.1335 7.0880 113.5426 44.8938 0.0000 175.3388 104 V 3.7444 8.1572 119.2209 62.6140 32.0207 175.9478 105 Y 3.9360 8.5193 117.1392 57.6638 35.6762 170.8960 106 D 4.6581 8.2244 119.8543 55.8873 40.3577 178.6150 107 A 3.7337 8.4964 124.6552 54.8513 18.4416 174.9591 108 A 3.6486 7.5941 126.2874 51.0894 19.2017 177.7266 109 G 3.9587 8.6282 109.9970 46.5980 0.0000 172.3231 110 V 4.2011 8.3443 120.3603 61.6028 32.1541 176.1042 111 K 3.8787 8.5348 127.4943 59.0600 32.6807 175.9129 112 D 4.1064 9.0844 126.1352 54.6344 39.1954 176.7833 113 R 3.3081 5.8400 114.5761 57.7909 28.6287 174.3966 114 K 4.5344 8.4123 125.2070 56.4614 34.2442 177.4772 115 K 4.5052 7.4205 115.2200 56.0546 31.8886 177.9389 116 S 4.3437 9.1139 122.2625 60.0341 61.7806 173.8180 117 R 4.2933 8.3954 122.8257 59.1290 31.0310 179.4789 118 S 4.0553 7.8231 112.4412 60.8557 63.0367 175.0394 119 K 4.3612 7.7693 117.6468 56.6779 33.9138 175.8741 120 Y 4.1258 8.5428 119.3375 56.3841 35.8954 165.9501 121 G 3.9049 7.7545 114.9310 43.8551 0.0000 172.7635 122 T 4.9280 8.3935 126.5942 61.6220 69.0338 171.9357 123 K 3.9485 8.4476 128.3870 56.0800 32.8321 176.9583 124 K 4.3115 8.2994 121.6616 55.4180 34.3779 175.3302 125 P 4.6484 0.0000 0.0000 62.4614 30.0715 177.6457 126 K 4.3648 9.7039 124.5502 57.5561 34.2873 176.4631 127 E 3.4727 7.5051 118.5103 57.8037 27.3921 174.5733 128 A 4.1024 7.3058 123.1658 52.1206 20.3264 177.7659 *129 A 4.1172 8.3076 120.6770 52.7476 18.9464 176.7184 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 5 P 0.00 4.34 0.00 2.06 2.05 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 6 T 8.08 3.96 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 7 I 8.28 3.69 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 1.52 1.09 0.91 0.00 0.00 8 N 8.21 4.44 0.00 2.82 2.84 0.00 0.00 6.73 7.11 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 9 Q 8.28 3.95 0.00 2.14 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.54 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 10 L 8.22 3.98 0.00 1.92 1.71 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.99 3.74 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 0.83 0.00 0.00 0.93 0.00 0.00 12 R 7.62 3.98 0.00 1.84 1.98 0.00 3.20 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.96 0.00 13 K 8.09 4.27 0.00 1.71 1.84 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.58 7.81 14 G 7.29 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 15 R 8.25 4.07 0.00 1.81 1.88 0.00 3.35 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 16 E 8.33 4.44 0.00 1.90 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 2.20 2.30 0.00 17 K 8.56 3.93 0.00 1.78 1.77 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.39 7.81 18 V 7.91 4.22 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 0.81 0.00 0.00 0.92 0.00 0.00 19 R 8.06 4.39 0.00 1.78 1.79 0.00 3.26 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 20 K 8.69 4.00 0.00 1.68 1.73 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.50 7.81 21 K 8.35 4.30 0.00 1.77 1.77 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.40 7.81 22 S 8.40 4.06 0.00 3.79 3.78 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 23 K 8.41 4.41 0.00 1.67 1.71 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.35 7.81 24 V 7.48 4.07 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 0.67 0.00 0.00 0.56 0.00 0.00 25 P 0.00 4.45 0.00 2.05 1.86 0.00 3.72 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 2.16 2.07 0.00 26 A 7.68 4.39 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 27 L 7.89 3.20 0.00 1.75 1.53 0.96 0.42 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 28 K 9.22 3.64 0.00 1.90 1.84 0.00 1.99 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.41 7.81 29 G 8.14 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 0.00 0.00 0.00 30 A 7.62 3.82 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 31 P 0.00 4.02 0.00 1.85 1.79 0.00 3.66 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 32 F 7.50 5.24 0.00 2.91 2.98 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 33 R 8.98 4.85 0.00 1.95 1.77 0.00 3.42 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 34 R 8.50 4.97 0.00 2.42 2.24 0.00 3.07 0.00 0.00 3.60 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 35 G 7.88 4.49 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 0.00 0.00 0.00 36 V 8.06 4.38 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 0.96 0.00 0.00 0.92 0.00 0.00 37 C 8.32 4.46 0.00 3.02 2.91 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 38 T 9.19 3.96 4.32 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 1.19 0.00 0.00 39 V 8.42 4.14 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 0.97 0.00 0.00 0.92 0.00 0.00 40 V 7.66 4.62 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 0.90 0.00 0.00 0.95 0.00 0.00 41 R 7.77 4.44 0.00 1.93 1.83 0.00 3.27 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 42 T 8.23 4.94 4.29 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 1.21 0.00 0.00 43 V 9.00 4.50 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 0.97 0.00 0.00 0.96 0.00 0.00 44 T 8.34 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 1.23 0.00 0.00 45 P 0.00 4.61 0.00 1.99 2.02 0.00 3.86 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 46 K 8.98 4.28 0.00 1.94 1.91 0.00 1.32 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.36 7.81 47 K 6.70 4.11 0.00 1.80 1.92 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.39 1.46 7.81 48 P 0.00 4.81 0.00 2.19 2.10 0.00 3.83 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 1.89 1.95 0.00 49 N 8.50 5.19 0.00 2.64 2.74 0.00 0.00 6.67 7.36 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 50 S 7.79 4.72 0.00 3.83 3.78 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 51 A 7.63 4.20 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.44 4.96 0.00 1.50 1.59 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.68 4.32 0.00 1.94 2.20 0.00 3.20 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.71 0.00 54 K 8.35 4.42 0.00 1.45 1.52 0.00 1.50 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.46 7.81 55 V 7.36 4.30 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 0.75 0.00 0.00 0.99 0.00 0.00 56 A 8.24 5.47 1.21 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 0.00 0.00 0.00 57 K 7.89 4.21 0.00 1.67 1.75 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.40 7.81 58 V 8.38 4.73 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 1.00 0.00 0.00 1.01 0.00 0.00 59 R 8.96 4.36 0.00 1.91 1.87 0.00 3.20 0.00 0.00 3.17 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 60 L 8.73 4.48 0.00 1.91 1.68 0.86 0.50 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 61 T 9.18 4.03 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 1.28 0.00 0.00 62 S 8.06 4.16 0.00 4.02 4.06 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 63 G 7.87 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 64 Y 7.97 4.56 0.00 2.82 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 65 E 8.39 5.66 0.00 1.76 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 2.19 2.24 0.00 66 V 8.16 4.65 1.90 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 1.01 0.00 0.00 0.42 0.00 0.00 67 T 8.66 4.20 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 1.24 0.00 0.00 68 A 8.16 5.04 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 69 Y 8.64 4.27 0.00 3.13 2.81 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 70 I 6.18 4.63 1.52 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.68 0.78 0.00 0.00 71 P 0.00 4.65 0.00 2.75 2.45 0.00 3.79 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 2.18 2.18 0.00 72 G 8.71 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 0.00 0.00 0.00 73 E 8.44 4.05 0.00 1.92 1.97 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 2.25 2.22 0.00 74 G 7.83 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 75 H 8.46 5.13 0.00 3.13 3.23 0.00 5.69 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.37 4.87 0.00 2.76 2.84 0.00 0.00 6.03 7.79 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 77 L 8.43 4.34 0.00 1.63 1.69 0.85 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 7.93 4.29 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 7.03 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 79 E 8.66 4.16 0.00 1.91 1.93 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 2.24 2.32 0.00 80 H 9.21 4.86 0.00 3.19 2.96 0.00 5.81 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 9.71 4.52 0.00 4.08 4.14 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 0.00 0.00 0.00 0.00 82 V 8.06 3.76 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 0.74 0.00 0.00 0.75 0.00 0.00 83 V 8.26 5.01 2.15 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 0.88 0.00 0.00 0.98 0.00 0.00 84 L 8.27 4.82 0.00 1.56 1.34 0.95 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 85 I 9.13 4.78 2.12 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 1.00 1.25 0.00 0.00 86 R 8.66 4.90 0.00 2.32 2.35 0.00 3.28 0.00 0.00 3.40 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 87 G 8.44 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 0.00 0.00 0.00 88 G 8.19 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 89 R 7.88 4.15 0.00 1.76 1.85 0.00 3.28 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 90 V 7.28 4.10 1.97 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 0.40 0.00 0.00 0.79 0.00 0.00 91 K 7.34 4.40 0.00 1.72 1.66 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.56 7.81 92 D 7.99 4.63 0.00 2.73 2.67 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 93 L 8.07 4.76 0.00 1.66 1.63 1.06 0.95 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 94 P 0.00 4.25 0.00 2.05 2.01 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 95 G 9.10 4.39 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 0.00 0.00 0.00 96 V 7.80 3.92 2.16 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 1.41 0.00 0.00 1.03 0.00 0.00 97 R 8.36 4.60 0.00 1.66 1.93 0.00 3.13 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.79 0.00 98 Y 8.22 4.73 0.00 2.93 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 99 H 8.83 5.06 0.00 3.38 3.41 0.00 5.76 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.91 4.68 2.02 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 1.14 1.07 0.94 0.00 0.00 101 V 8.83 3.68 1.98 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 0.55 0.00 0.00 0.83 0.00 0.00 102 R 8.31 4.47 0.00 2.06 2.03 0.00 3.27 0.00 0.00 3.46 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 103 G 7.09 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 0.00 104 V 8.16 3.74 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 0.65 0.00 0.00 0.43 0.00 0.00 105 Y 8.52 3.94 0.00 3.14 3.28 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 0.00 0.00 0.00 0.00 106 D 8.22 4.66 0.00 2.69 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 0.00 107 A 8.50 3.73 1.42 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 0.00 0.00 0.00 108 A 7.59 3.65 1.39 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 0.00 0.00 109 G 8.63 3.96 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 0.00 0.00 0.00 110 V 8.34 4.20 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 0.71 0.00 0.00 1.00 0.00 0.00 111 K 8.53 3.88 0.00 1.67 1.72 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.43 7.81 112 D 9.08 4.11 0.00 2.81 2.43 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 0.00 113 R 5.84 3.31 0.00 1.89 2.02 0.00 3.54 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 114 K 8.41 4.53 0.00 1.79 1.84 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.62 7.81 115 K 7.42 4.51 0.00 1.76 0.88 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.44 7.81 116 S 9.11 4.34 0.00 4.12 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 0.00 117 R 8.40 4.29 0.00 1.90 2.14 0.00 3.60 0.00 0.00 3.36 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.96 0.00 118 S 7.82 4.06 0.00 3.83 3.92 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 0.00 119 K 7.77 4.36 0.00 1.50 1.62 0.00 1.25 0.00 0.00 1.36 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.14 0.79 7.81 120 Y 8.54 4.13 0.00 3.08 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 G 7.75 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 0.00 0.00 0.00 122 T 8.39 4.93 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 1.27 0.00 0.00 123 K 8.45 3.95 0.00 1.78 1.77 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.41 7.81 124 K 8.30 4.31 0.00 1.72 1.71 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.43 7.81 125 P 0.00 4.65 0.00 2.22 1.47 0.00 3.90 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 126 K 9.70 4.36 0.00 1.84 1.93 0.00 1.47 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.15 1.28 7.81 127 E 7.51 3.47 0.00 2.16 2.27 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 2.24 2.34 0.00 128 A 7.31 4.10 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 *129 A 8.31 4.12 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 * Residues marked with a * may have inaccurate shift predictions.