NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7468 8.1633 120.2778 55.3168 34.1653 173.9468 2 K 4.6977 8.8842 120.1332 53.8336 37.1033 173.4659 3 K 4.7571 10.0484 126.4130 55.3184 34.5904 174.8472 4 I 4.7892 9.1658 128.6410 59.6181 39.7599 174.0143 5 E 5.0801 9.2266 128.9265 54.3296 31.8275 174.3542 6 A 5.0072 9.0955 129.0358 50.0761 22.6060 174.4605 7 I 4.8595 8.5080 123.3980 59.5566 39.4215 175.0325 8 I 5.0315 8.6930 120.2591 58.3489 41.8071 175.0568 9 K 4.2779 8.2443 121.7958 55.6792 32.8029 176.4492 10 P 4.2113 0.0000 0.0000 65.7879 31.3410 178.2424 11 F 4.4968 8.0897 110.2472 58.4130 38.1839 176.2792 12 K 4.1225 7.4007 120.8421 56.5440 31.9940 178.0307 13 L 3.8808 7.6008 122.0139 58.3906 41.9703 178.4964 14 D 4.3624 8.0574 118.1138 57.4025 40.7682 178.5101 15 E 3.9398 8.1100 118.4950 59.4711 29.5256 179.4819 16 V 3.5366 7.8759 118.2319 65.7262 31.5371 177.9056 17 K 3.8900 8.3767 119.7945 59.6530 32.0749 178.4789 18 D 4.3153 8.3866 119.1127 57.3815 40.6325 178.6542 19 A 4.0211 8.1753 121.3083 55.1667 18.3313 179.7465 20 L 3.9486 8.1505 117.6442 57.8014 41.6310 179.8237 21 V 3.5906 8.0131 118.3956 66.0496 31.2336 177.9151 22 E 4.0019 8.1324 117.6674 58.8052 29.3106 178.3215 23 I 4.2921 7.2431 110.8855 60.7102 38.0145 176.4314 24 G 3.9449 7.9788 108.4634 45.4120 0.0000 173.9734 25 I 3.8076 7.6740 121.4505 61.1312 37.2650 176.5489 26 G 3.7534 8.8205 115.4418 47.7173 0.0000 173.5578 27 G 4.2888 7.5838 106.0427 44.2478 0.0000 171.1556 28 M 4.9320 8.1365 115.4387 54.3415 34.0615 173.8745 29 T 4.6499 8.7947 117.7427 61.7878 71.6026 173.1573 30 V 4.9291 8.4560 125.5831 61.3727 34.1384 174.6264 31 T 4.7202 8.8026 123.7319 61.6586 72.2370 172.8961 32 E 4.5172 8.7860 125.3872 56.3274 30.5142 176.2592 33 V 4.5995 8.6369 116.7491 59.8122 36.7391 174.1280 34 K 5.0336 8.1872 118.9934 55.5465 36.2160 176.1661 35 G 4.2727 9.0459 108.6368 47.3766 0.0000 172.9700 36 F 4.8214 8.5178 122.8270 57.4038 43.5539 174.8426 *54 D 4.4363 9.3173 116.6687 53.3517 42.4848 174.7144 55 F 5.1506 7.9229 118.1892 56.5849 40.3368 174.9083 56 L 5.1318 8.6803 124.2571 51.9263 45.1175 174.2477 57 P 4.8708 0.0000 0.0000 63.2249 32.2633 175.3801 58 K 4.7808 9.2021 121.0310 54.9863 37.6079 174.9032 59 V 4.8133 8.7649 120.8395 61.1117 34.4469 173.9117 60 K 4.9782 9.0311 129.4350 55.0294 34.1728 174.8617 61 I 4.9699 8.8192 127.9857 59.5142 40.5922 174.2551 62 E 5.2162 9.2665 125.7508 54.6764 32.8681 175.4205 63 V 4.7485 8.8744 116.8578 59.5148 36.2193 174.4842 64 V 4.7805 8.4506 123.8931 61.3700 33.3530 174.9135 65 V 4.6671 8.7094 119.8867 59.2980 36.6961 175.3174 66 R 4.2969 8.4468 120.2835 56.1306 30.7697 177.7174 67 D 4.3796 8.9189 120.9772 57.7305 40.8672 178.6936 68 E 4.2150 8.1435 113.8082 57.7762 30.1455 177.2101 69 D 4.8013 8.0658 119.3394 54.1518 41.6465 178.1071 70 V 3.5722 7.5207 120.0588 66.1717 31.5171 177.5793 71 E 3.9415 8.1501 117.7157 59.3417 29.3329 179.1386 72 K 3.9101 7.9895 119.1173 59.4501 32.2309 178.8996 73 V 3.5599 7.6941 118.1299 65.8366 31.3803 178.1164 74 V 3.5347 8.0600 118.3410 66.2169 31.3124 177.9014 75 E 3.9450 8.4975 118.5815 59.6231 29.2295 179.5418 76 T 3.8486 8.0571 115.8461 66.6437 68.4360 176.8608 77 I 3.6577 7.9492 121.8951 64.2191 36.9856 178.5713 78 V 3.5346 7.9563 119.3011 66.1621 31.1538 178.3397 79 K 4.0111 8.0866 116.9005 59.4654 31.9104 179.0002 80 T 4.1623 7.7961 114.8491 65.3534 68.7881 176.2246 81 A 4.2361 8.0590 121.0593 51.8755 19.6380 177.3535 82 Q 4.2605 7.3350 119.5324 56.1675 29.6359 175.7842 83 T 4.4790 9.5412 113.5773 60.6708 70.5145 175.1988 84 G 3.9530 8.8958 109.4146 45.0112 0.0000 173.2853 85 R 4.5295 7.6642 118.8068 54.1050 31.9572 176.0587 86 V 3.7404 8.0084 119.5731 64.6396 31.7396 176.4163 87 G 4.0625 8.9931 113.8707 45.1920 0.0000 174.7382 88 D 4.0049 7.2603 119.6284 55.9951 40.9800 175.8016 89 G 4.1996 7.6885 102.1659 44.9667 0.0000 172.1322 90 K 4.5951 8.0252 115.6339 54.7611 36.9892 175.5822 91 I 4.6050 7.8086 121.3305 59.4571 40.2763 175.0379 92 F 5.1283 9.0522 125.0796 55.7408 42.1590 174.2546 93 I 4.8430 8.5733 123.6341 59.7641 38.9765 174.9588 94 I 4.7143 8.6412 128.5174 58.4040 40.2180 173.6202 95 P 4.6507 0.0000 0.0000 62.8814 32.1988 175.7338 96 V 4.3645 8.0009 121.7925 61.4429 33.0493 175.3849 97 E 4.2106 9.0729 127.5012 58.6452 30.0217 175.9721 98 D 4.6534 7.4666 114.9867 53.0698 44.2873 174.0402 99 V 4.5612 8.0901 122.0696 61.2141 35.1863 173.9176 100 I 5.0689 8.2779 127.1174 59.4393 40.5357 174.7474 101 R 4.1521 9.1693 128.3974 55.6585 30.1154 177.2722 102 I 3.7362 8.5956 127.9510 64.4267 37.5599 178.3332 103 R 3.9925 8.1420 119.4948 58.6382 29.9903 176.8493 104 T 4.3761 7.3836 102.0994 60.5511 70.4127 175.2420 105 G 3.9487 8.5806 110.1500 45.1702 0.0000 173.6951 106 E 4.1059 7.9588 119.8485 56.4526 30.2084 176.1485 107 R 5.6694 7.4998 118.8476 53.3053 35.3111 177.5863 108 G 3.7810 8.0269 107.5609 46.4074 0.0000 176.7001 109 E 4.0248 9.0312 121.6507 59.3138 29.2622 177.9411 110 Q 4.1400 8.0770 115.5118 57.0223 29.0336 176.2627 111 A 4.5397 8.0593 119.7525 51.9781 20.1875 176.8729 112 I 4.0166 7.6326 121.1586 61.3277 37.3457 175.6554 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 M 8.16 4.75 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 2 K 8.88 4.70 0.00 1.61 1.63 0.00 1.67 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.60 7.81 3 K 10.05 4.76 0.00 1.79 1.81 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.42 7.81 4 I 9.17 4.79 1.86 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 1.12 0.54 0.89 0.00 0.00 5 E 9.23 5.08 0.00 2.10 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 0.00 2.33 2.29 0.00 6 A 9.10 5.01 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.51 4.86 1.80 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.30 0.90 0.00 0.00 8 I 8.69 5.03 1.73 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 1.21 0.82 0.00 0.00 9 K 8.24 4.28 0.00 1.31 1.53 0.00 1.68 0.00 0.00 2.02 0.00 0.00 3.01 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.54 1.39 7.81 10 P 0.00 4.21 0.00 2.25 2.15 0.00 3.65 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.00 0.00 11 F 8.09 4.50 0.00 3.14 3.18 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 0.00 12 K 7.40 4.12 0.00 1.61 1.65 0.00 1.67 0.00 0.00 1.46 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.30 1.31 7.81 13 L 7.60 3.88 0.00 1.75 1.72 0.89 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.06 4.36 0.00 2.74 2.71 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 0.00 0.00 0.00 15 E 8.11 3.94 0.00 2.15 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 2.42 2.40 0.00 16 V 7.88 3.54 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 0.95 0.00 0.00 0.89 0.00 0.00 17 K 8.38 3.89 0.00 1.86 1.94 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.62 7.81 18 D 8.39 4.32 0.00 2.91 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 19 A 8.18 4.02 1.36 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 20 L 8.15 3.95 0.00 1.83 1.71 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.01 3.59 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 1.10 0.00 0.00 0.96 0.00 0.00 22 E 8.13 4.00 0.00 2.20 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 0.00 2.34 2.61 0.00 23 I 7.24 4.29 1.86 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 1.67 0.68 0.95 0.00 0.00 24 G 7.98 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 25 I 7.67 3.81 1.92 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 1.22 0.84 0.94 0.00 0.00 26 G 8.82 3.75 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 0.00 0.00 0.00 27 G 7.58 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 0.00 0.00 0.00 0.00 28 M 8.14 4.93 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 29 T 8.79 4.65 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 30 V 8.46 4.93 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 0.85 0.00 0.00 0.92 0.00 0.00 31 T 8.80 4.72 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 1.19 0.00 0.00 32 E 8.79 4.52 0.00 1.84 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 2.30 2.33 0.00 33 V 8.64 4.60 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 0.79 0.00 0.00 0.94 0.00 0.00 34 K 8.19 5.03 0.00 1.29 1.69 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.50 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.33 1.33 7.81 35 G 9.05 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 36 F 8.52 4.82 0.00 3.02 2.61 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 *54 D 9.32 4.44 0.00 2.22 2.50 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 0.00 55 F 7.92 5.15 0.00 3.12 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 56 L 8.68 5.13 0.00 1.68 1.61 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.87 0.00 2.11 2.09 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 58 K 9.20 4.78 0.00 1.62 1.80 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.59 1.54 7.81 59 V 8.76 4.81 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 0.96 0.00 0.00 0.92 0.00 0.00 60 K 9.03 4.98 0.00 1.85 1.64 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.42 7.81 61 I 8.82 4.97 1.83 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 1.20 0.64 0.89 0.00 0.00 62 E 9.27 5.22 0.00 1.85 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 0.00 2.22 2.25 0.00 63 V 8.87 4.75 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 0.76 0.00 0.00 0.92 0.00 0.00 64 V 8.45 4.78 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 0.86 0.00 0.00 0.93 0.00 0.00 65 V 8.71 4.67 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 0.68 0.00 0.00 0.93 0.00 0.00 66 R 8.45 4.30 0.00 2.03 2.02 0.00 3.28 0.00 0.00 3.49 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.65 0.00 67 D 8.92 4.38 0.00 2.73 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 68 E 8.14 4.21 0.00 2.07 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 2.27 2.27 0.00 69 D 8.07 4.80 0.00 2.80 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 70 V 7.52 3.57 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 1.12 0.00 0.00 0.99 0.00 0.00 71 E 8.15 3.94 0.00 2.01 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 0.00 2.40 2.31 0.00 72 K 7.99 3.91 0.00 1.86 1.80 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.55 7.81 73 V 7.69 3.56 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 0.99 0.00 0.00 0.99 0.00 0.00 74 V 8.06 3.53 2.19 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 1.04 0.00 0.00 0.98 0.00 0.00 75 E 8.50 3.95 0.00 2.02 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 2.32 2.51 0.00 76 T 8.06 3.85 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 1.20 0.00 0.00 77 I 7.95 3.66 1.82 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 1.37 0.83 0.84 0.00 0.00 78 V 7.96 3.53 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 1.01 0.00 0.00 0.96 0.00 0.00 79 K 8.09 4.01 0.00 1.74 1.85 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.65 7.81 80 T 7.80 4.16 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 1.22 0.00 0.00 81 A 8.06 4.24 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 82 Q 7.33 4.26 0.00 2.23 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 83 T 9.54 4.48 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 1.38 0.00 0.00 84 G 8.90 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 85 R 7.66 4.53 0.00 1.92 1.88 0.00 3.32 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 86 V 8.01 3.74 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 0.80 0.00 0.00 0.95 0.00 0.00 87 G 8.99 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 0.00 0.00 0.00 88 D 7.26 4.00 0.00 2.55 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.69 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.03 4.60 0.00 1.19 1.21 0.00 1.75 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.42 7.81 91 I 7.81 4.60 1.73 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.45 0.88 0.00 0.00 92 F 9.05 5.13 0.00 2.91 2.82 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 93 I 8.57 4.84 1.91 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 1.37 0.86 0.93 0.00 0.00 94 I 8.64 4.71 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.76 0.91 0.00 0.00 95 P 0.00 4.65 0.00 2.07 2.05 0.00 3.70 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 96 V 8.00 4.36 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 0.85 0.00 0.00 0.95 0.00 0.00 97 E 9.07 4.21 0.00 2.00 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 2.30 2.29 0.00 98 D 7.47 4.65 0.00 2.59 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 0.00 0.00 0.00 0.00 99 V 8.09 4.56 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 0.93 0.00 0.00 100 I 8.28 5.07 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 1.23 0.66 0.91 0.00 0.00 101 R 9.17 4.15 0.00 1.84 1.80 0.00 3.17 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 102 I 8.60 3.74 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 1.30 0.68 0.91 0.00 0.00 103 R 8.14 3.99 0.00 1.76 1.96 0.00 3.18 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 104 T 7.38 4.38 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 1.23 0.00 0.00 105 G 8.58 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 0.00 106 E 7.96 4.11 0.00 2.06 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 2.33 2.28 0.00 107 R 7.50 5.67 0.00 1.81 1.95 0.00 3.55 0.00 0.00 3.45 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 108 G 8.03 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 0.00 109 E 9.03 4.02 0.00 1.96 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 2.32 2.30 0.00 110 Q 8.08 4.14 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 111 A 8.06 4.54 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 0.00 112 I 7.63 4.02 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 1.27 0.80 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.