NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3437 8.0333 117.2950 63.1706 70.5048 172.2575 2 W 4.7226 8.8677 126.8434 55.7575 30.2469 174.1019 3 T 4.6839 9.1866 122.6213 61.5877 70.7974 173.2089 4 Y 3.8988 8.7541 128.0649 58.2478 38.9615 174.2499 5 I 3.8601 7.5176 126.6142 61.8780 39.1659 175.5101 6 L 4.1569 6.3226 119.0008 54.8114 43.7608 173.6759 7 R 4.7018 8.6014 118.9366 55.2048 31.1084 177.6658 8 Q 3.7931 9.2365 124.2369 59.3524 29.0851 179.4463 9 G 3.7047 8.1304 105.1808 47.8729 0.0000 173.4217 10 D 4.7954 8.0580 118.4067 52.9256 39.4601 177.0661 11 L 4.5883 7.5771 122.4443 53.2684 42.7907 173.8915 12 P 4.6238 0.0000 0.0000 60.2914 32.8041 174.5271 13 P 4.5443 0.0000 0.0000 64.6441 31.3666 177.2373 14 G 3.9772 9.4310 111.5179 45.0895 0.0000 172.7194 15 E 4.8577 7.8648 118.4343 54.8586 32.7405 174.8349 16 M 5.2500 8.4522 119.5559 53.8259 36.0456 174.7895 17 Q 4.5702 9.1295 121.9570 54.4576 33.1179 173.6169 18 R 4.9446 8.5576 125.1093 55.2235 31.9582 174.5808 19 Y 4.6761 9.1073 126.5322 55.9621 41.6086 175.4344 20 E 4.3062 8.1150 124.3632 55.7786 30.5122 176.3684 21 G 3.3600 5.9286 108.6843 46.3024 0.0000 174.8250 22 G 3.8552 8.5582 110.3754 43.6944 0.0000 171.1343 23 P 4.3547 0.0000 0.0000 63.9973 31.7449 175.7611 24 E 4.4958 7.7916 119.0732 53.5311 31.7301 172.8167 25 P 4.5298 0.0000 0.0000 62.8835 32.8559 175.5678 26 V 4.6693 8.8547 123.0324 61.2424 34.8884 173.6382 27 M 5.0009 9.0535 127.2974 54.0064 34.2170 174.5754 28 V 5.1041 8.7873 126.2463 61.4237 34.5791 174.0050 29 C 5.3542 9.3148 120.7385 56.8365 34.0963 172.0426 30 N 4.7456 8.6488 118.3812 51.8002 41.0429 173.6227 31 V 4.4182 8.8982 127.6322 61.5540 32.1088 174.8775 32 D 4.4716 9.7698 129.8179 55.1715 39.4352 174.3561 33 G 3.8249 8.9109 105.7280 44.8345 0.0000 173.0560 34 E 4.4369 7.7937 121.1280 54.1041 31.4064 174.3032 35 F 5.0795 8.3176 124.2405 56.2429 40.8072 175.1602 36 F 5.1562 9.2110 119.9759 55.6867 43.5270 173.6416 37 A 5.3205 8.8356 122.2300 50.5213 22.2161 175.5008 38 V 5.3338 8.9060 114.7473 59.0963 36.9020 174.8819 39 Q 4.5599 8.9745 120.6951 57.0582 28.4955 176.4391 40 D 4.4946 9.1663 121.9208 56.5808 42.7047 175.7799 41 T 4.7231 7.7712 115.4715 62.5304 69.1155 174.4815 42 C 4.2875 8.9070 128.1480 60.1196 31.8548 174.0133 43 T 4.2051 8.8284 113.6161 63.4903 69.0612 174.8158 44 H 4.5813 8.2292 120.6055 56.7453 30.4452 174.0412 45 G 3.9628 7.3523 105.5821 45.6955 0.0000 173.4993 46 D 4.6943 8.6283 119.9577 52.6018 39.7731 174.5222 47 W 5.0916 8.0490 132.3421 55.1439 34.3674 173.2802 48 A 4.7114 7.0770 127.0573 50.6274 19.2559 178.3905 49 L 4.1615 9.1647 124.8627 57.8934 41.8905 179.8575 50 S 4.1318 8.6220 112.5630 60.6390 62.8875 174.6656 51 D 4.5447 7.7735 119.8029 54.9063 41.5899 177.3142 52 G 4.2480 7.7334 108.8249 46.2791 0.0000 173.4252 53 Y 4.9414 8.7482 120.2094 56.0381 41.7662 174.2865 54 L 4.9953 8.7910 126.0193 53.6055 43.9051 175.2971 55 D 4.7628 9.1876 126.6488 52.8333 42.9609 176.9008 56 G 3.8596 8.2370 119.4422 46.9217 0.0000 172.1707 57 D 4.7974 9.0064 121.9034 52.3948 39.5405 175.2862 58 I 4.6584 7.8272 121.5845 59.8689 39.4170 174.6209 59 V 4.8327 8.7053 125.6194 60.2709 33.8138 174.3284 60 E 5.0979 9.3370 125.8701 54.6284 31.8859 174.1666 61 C 4.9705 9.4406 128.9157 59.4412 32.4359 173.9440 62 T 4.5785 9.1091 115.6411 62.4367 69.3011 175.4693 63 L 3.2695 7.4237 124.3320 57.7948 42.1224 176.9517 64 H 4.1216 7.1128 110.1050 54.6945 30.1772 173.6824 65 F 4.2666 8.0765 116.6133 58.0102 36.8189 175.4364 66 G 3.8655 7.7673 107.8940 46.6904 0.0000 173.0803 67 K 5.2987 8.3313 118.8306 53.7483 36.9424 175.4849 68 F 5.3879 8.9771 123.3063 56.2652 42.1730 178.9110 *70 V 3.9678 8.7326 120.1435 62.0425 33.2046 176.4651 71 R 3.5668 7.7502 119.5224 58.2294 30.0527 176.7926 72 T 4.3726 7.7089 104.4287 60.4637 70.4934 175.1216 73 G 4.1927 8.1701 109.4110 46.0565 0.0000 173.5903 74 K 4.4027 7.7331 119.6040 55.7215 32.7131 176.7647 75 V 3.6893 8.3690 122.3185 63.1094 31.9286 175.8587 76 K 4.4178 8.6774 125.4412 56.6519 34.3354 176.4186 77 A 4.5703 7.1888 120.2526 50.2343 22.0124 175.6839 78 L 4.5279 8.2537 121.9720 54.3052 42.2378 175.5598 79 P 4.4011 0.0000 0.0000 62.7879 31.6607 176.3747 80 A 4.0358 7.6485 122.3886 53.1820 18.7160 176.5887 81 C 4.6372 8.8597 120.8275 59.8798 33.8642 174.1629 82 K 4.6964 7.8557 117.0623 53.5772 33.8274 174.3140 83 P 4.8251 0.0000 0.0000 62.8001 32.2167 175.4270 84 I 4.4900 8.1781 112.9340 59.1926 40.1564 175.2844 85 K 4.3652 9.1420 123.4423 56.5953 33.3149 176.1078 86 V 4.8386 8.5965 123.5677 61.2753 34.0041 174.3638 87 F 5.0963 9.0720 125.7466 54.8004 41.8423 173.7416 88 P 4.6599 0.0000 0.0000 62.9505 32.5129 175.1366 89 I 5.4118 8.5011 122.3803 59.3331 41.4585 174.0463 90 K 4.3312 9.1309 129.6245 54.4245 35.4004 174.6711 91 V 4.7022 8.2940 127.1951 61.0126 33.2506 174.5132 92 E 4.5233 8.5762 126.2611 55.2115 32.8152 175.7415 93 G 3.7784 8.4595 113.3581 46.9943 0.0000 173.5459 94 D 5.0295 8.7251 122.4409 52.7249 40.5473 173.4894 95 E 5.0854 8.2235 118.3076 55.4510 33.0820 175.1116 96 V 4.4205 8.6635 124.6048 61.7005 33.2142 174.2245 97 H 5.3467 9.2323 125.2052 53.9902 32.2431 173.2456 98 V 5.0632 8.8169 120.9520 61.3361 35.3302 174.2674 99 D 4.9558 8.7307 127.2152 52.1372 40.6469 176.8916 100 L 4.2168 8.5270 126.2957 56.8232 41.9512 177.7082 101 D 4.7911 8.2779 116.7981 54.3833 41.1626 175.5753 102 N 5.0247 7.8445 114.6418 53.3288 39.6336 174.8845 103 G 2.5565 8.0841 106.1627 46.0183 0.0000 173.7874 104 E 4.7873 8.5919 122.9687 54.4048 34.6259 174.5555 105 L 4.4026 8.4369 122.6239 54.5079 42.6344 177.3962 106 K 4.1575 8.5235 121.7053 56.5569 32.4963 176.0096 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 T 8.03 4.34 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 1.25 0.00 0.00 2 W 8.87 4.72 0.00 3.27 3.13 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 3 T 9.19 4.68 4.28 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 1.15 0.00 0.00 4 Y 8.75 3.90 0.00 2.79 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 5 I 7.52 3.86 1.53 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.65 0.60 0.00 0.00 6 L 6.32 4.16 0.00 1.61 1.56 0.80 0.58 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 7 R 8.60 4.70 0.00 2.35 1.91 0.00 3.19 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 8 Q 9.24 3.79 0.00 1.92 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.80 0.00 0.00 0.00 0.00 0.00 2.58 2.41 0.00 9 G 8.13 3.70 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 0.00 0.00 0.00 10 D 8.06 4.80 0.00 2.79 2.78 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 11 L 7.58 4.59 0.00 1.60 1.85 0.95 1.46 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 12 P 0.00 4.62 0.00 2.27 2.19 0.00 3.81 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 13 P 0.00 4.54 0.00 2.04 2.02 0.00 3.67 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 2.01 2.03 0.00 14 G 9.43 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 0.00 0.00 0.00 15 E 7.86 4.86 0.00 2.04 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 2.25 2.42 0.00 16 M 8.45 5.25 0.00 1.86 1.91 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 17 Q 9.13 4.57 0.00 2.11 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 18 R 8.56 4.94 0.00 1.79 1.74 0.00 3.23 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.64 0.00 19 Y 9.11 4.68 0.00 2.93 2.64 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 0.00 20 E 8.11 4.31 0.00 1.72 1.76 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 2.09 2.11 0.00 21 G 5.93 3.36 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 0.00 0.00 0.00 22 G 8.56 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.35 0.00 2.22 2.20 0.00 3.75 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 2.04 1.98 0.00 24 E 7.79 4.50 0.00 1.96 1.95 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 2.47 2.46 0.00 25 P 0.00 4.53 0.00 2.05 1.87 0.00 3.57 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 2.06 2.02 0.00 26 V 8.85 4.67 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 0.63 0.00 0.00 0.18 0.00 0.00 27 M 9.05 5.00 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.62 0.00 28 V 8.79 5.10 2.10 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 1.14 0.00 0.00 0.88 0.00 0.00 29 C 9.31 5.35 0.00 3.13 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 30 N 8.65 4.75 0.00 2.32 2.73 0.00 0.00 7.03 8.50 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 31 V 8.90 4.42 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 0.96 0.00 0.00 1.12 0.00 0.00 32 D 9.77 4.47 0.00 2.76 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 33 G 8.91 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 34 E 7.79 4.44 0.00 1.93 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 1.47 2.02 0.00 35 F 8.32 5.08 0.00 2.80 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 36 F 9.21 5.16 0.00 3.10 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 37 A 8.84 5.32 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 38 V 8.91 5.33 2.18 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 0.83 0.00 0.00 0.97 0.00 0.00 39 Q 8.97 4.56 0.00 2.17 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.99 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 40 D 9.17 4.49 0.00 2.71 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 41 T 7.77 4.72 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 1.24 0.00 0.00 42 C 8.91 4.29 0.00 3.19 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 43 T 8.83 4.21 4.34 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 1.29 0.00 0.00 44 H 8.23 4.58 0.00 3.21 3.47 0.00 5.78 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 7.35 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 46 D 8.63 4.69 0.00 2.68 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 47 W 8.05 5.09 0.00 3.36 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 48 A 7.08 4.71 1.01 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 49 L 9.16 4.16 0.00 1.81 1.80 0.78 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.62 4.13 0.00 3.88 4.03 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 51 D 7.77 4.54 0.00 2.53 2.64 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 0.00 52 G 7.73 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 0.00 0.00 0.00 0.00 53 Y 8.75 4.94 0.00 3.05 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 54 L 8.79 5.00 0.00 1.69 1.77 1.03 1.21 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 55 D 9.19 4.76 0.00 2.76 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.24 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 57 D 9.01 4.80 0.00 2.58 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 58 I 7.83 4.66 2.00 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 1.35 1.05 0.94 0.00 0.00 59 V 8.71 4.83 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 1.10 0.00 0.00 60 E 9.34 5.10 0.00 2.16 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 0.00 2.49 2.39 0.00 61 C 9.44 4.97 0.00 3.29 3.05 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 62 T 9.11 4.58 4.48 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 0.00 0.00 0.00 1.53 0.00 0.00 63 L 7.42 3.27 0.00 0.27 1.10 0.04 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 64 H 7.11 4.12 0.00 2.95 3.06 0.00 6.03 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.08 4.27 0.00 3.27 3.25 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 66 G 7.77 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 0.00 0.00 0.00 67 K 8.33 5.30 0.00 1.68 1.62 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.40 1.60 7.81 68 F 8.98 5.39 0.00 2.99 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 0.00 0.00 0.00 0.00 *70 V 8.73 3.97 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 0.70 0.00 0.00 0.68 0.00 0.00 71 R 7.75 3.57 0.00 1.10 1.71 0.00 3.16 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 72 T 7.71 4.37 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 1.21 0.00 0.00 73 G 8.17 4.19 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 0.00 0.00 0.00 74 K 7.73 4.40 0.00 1.91 1.77 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.40 7.81 75 V 8.37 3.69 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 0.66 0.00 0.00 1.02 0.00 0.00 76 K 8.68 4.42 0.00 1.64 1.77 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.53 1.49 7.81 77 A 7.19 4.57 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 78 L 8.25 4.53 0.00 1.61 1.57 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.40 0.00 1.83 2.03 0.00 3.83 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 80 A 7.65 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 C 8.86 4.64 0.00 2.92 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 82 K 7.86 4.70 0.00 1.85 1.75 0.00 1.84 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.45 7.81 83 P 0.00 4.83 0.00 2.23 2.14 0.00 3.80 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 2.02 1.99 0.00 84 I 8.18 4.49 1.67 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 1.13 0.84 0.05 0.00 0.00 85 K 9.14 4.37 0.00 1.67 1.37 0.00 1.58 0.00 0.00 1.37 0.00 0.00 2.71 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.47 7.81 86 V 8.60 4.84 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 1.13 0.00 0.00 1.03 0.00 0.00 87 F 9.07 5.10 0.00 2.90 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 88 P 0.00 4.66 0.00 2.03 2.12 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 2.00 2.09 0.00 89 I 8.50 5.41 2.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.10 0.98 0.00 0.00 90 K 9.13 4.33 0.00 0.79 0.74 0.00 1.06 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.81 0.86 7.81 91 V 8.29 4.70 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 0.72 0.00 0.00 0.69 0.00 0.00 92 E 8.58 4.52 0.00 2.01 1.80 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 1.92 2.08 0.00 93 G 8.46 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 0.00 0.00 0.00 94 D 8.73 5.03 0.00 2.76 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 95 E 8.22 5.09 0.00 2.16 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 2.32 2.22 0.00 96 V 8.66 4.42 1.81 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 0.74 0.00 0.00 0.02 0.00 0.00 97 H 9.23 5.35 0.00 2.86 3.34 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.82 5.06 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 1.06 0.00 0.00 0.88 0.00 0.00 99 D 8.73 4.96 0.00 1.58 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 0.00 0.00 0.00 0.00 100 L 8.53 4.22 0.00 1.70 1.76 1.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 101 D 8.28 4.79 0.00 2.59 2.68 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 0.00 102 N 7.84 5.02 0.00 2.46 2.64 0.00 0.00 6.88 8.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 G 8.08 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.59 4.79 0.00 1.76 1.70 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 2.11 2.35 0.00 105 L 8.44 4.40 0.00 1.51 1.59 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 106 K 8.52 4.16 0.00 1.89 1.68 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.37 7.81 * Residues marked with a * may have inaccurate shift predictions.