NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.3377 8.3344 115.2900 57.6284 62.8779 172.2294 7 R 3.6390 7.8915 122.5378 55.8798 30.5328 177.7298 8 K 4.3415 6.4075 119.9493 59.0531 36.6861 173.5102 9 Q 5.3049 8.3502 119.5660 57.0488 29.7748 173.2211 10 K 4.7661 8.2467 119.7486 55.4520 37.6732 174.4676 11 I 4.6413 8.6524 123.1476 59.2998 40.9126 173.9001 12 A 5.0366 9.0470 132.2395 50.4034 20.9928 175.0009 13 K 5.0607 9.2200 122.8151 55.2644 34.9550 175.7158 14 T 5.4595 8.7026 114.7334 59.0619 71.3303 173.3367 15 F 4.5208 8.4103 126.3602 56.7307 41.1985 173.7686 16 T 4.5019 7.3675 120.5271 60.0548 69.8195 173.0754 17 V 4.2575 7.3815 127.3616 60.9494 33.0670 174.6774 18 D 4.8148 8.5557 126.5743 51.3060 41.8766 176.1525 19 V 3.9814 8.1372 121.6560 62.0023 30.7033 175.1566 20 S 4.6265 8.3406 120.3322 57.8123 65.8752 174.6319 21 S 4.4848 8.9237 112.4023 58.1605 62.2816 166.0847 22 P 4.8160 0.0000 0.0000 60.9762 31.9740 174.6113 23 T 3.9656 7.3514 129.7656 64.8207 70.7021 174.0224 24 E 4.1353 8.0739 121.7669 58.8384 29.6827 176.3520 25 N 4.7028 7.3844 119.1585 50.4573 45.7800 173.5899 26 G 4.1090 7.7319 110.1123 46.2543 0.0000 172.4973 27 V 3.7746 7.2445 116.1208 59.5106 35.0926 174.0972 28 F 5.1191 7.0301 118.2682 55.9363 42.0782 174.2832 29 D 4.5805 8.1270 116.7425 51.2316 41.0549 175.1107 30 P 4.4678 0.0000 0.0000 65.4870 31.4560 178.6629 31 A 4.0384 8.0672 120.8147 55.3628 18.2287 179.5468 32 S 4.0606 8.2105 113.2077 61.6261 62.7868 176.2039 33 Y 4.2354 8.1897 121.6575 60.7466 38.7196 177.6993 34 A 3.6671 8.3186 121.7390 55.1062 18.5577 179.8277 35 K 3.8792 8.6498 117.4697 59.5002 32.1986 179.0310 36 Y 2.3900 7.3736 119.7566 60.1516 38.5766 178.2651 37 L 3.9998 7.4124 119.9465 57.7337 41.7451 179.3321 38 I 3.6290 7.7636 118.6655 64.1769 37.9658 177.4973 39 D 4.3603 8.1225 119.0049 57.4012 41.0735 177.5138 40 H 4.2186 8.2633 118.6189 59.3702 29.7345 177.3347 41 I 3.6189 7.9677 121.5751 64.0964 36.7282 178.2725 42 K 3.9646 7.7394 119.1065 59.5100 32.1509 178.7792 43 V 3.6962 7.5831 116.7842 66.1220 31.6349 177.5529 44 E 4.3766 7.9776 116.9810 58.1858 29.4187 177.7709 45 G 3.6625 7.3476 107.3264 46.2204 0.0000 173.1066 46 A 4.5943 7.2059 130.4066 52.2774 20.5824 176.5406 47 V 4.4204 8.4028 117.2366 61.6380 34.4552 175.1756 48 G 4.1575 7.9396 116.3893 45.8196 0.0000 173.0245 49 N 4.7165 8.4059 118.5073 50.8857 36.9569 174.6558 50 L 4.1662 7.3442 116.7475 53.4647 46.0393 175.5414 51 G 4.0800 8.2278 111.0094 45.4197 0.0000 170.9562 52 N 4.9903 8.6534 122.0015 52.9499 40.1035 173.1399 53 A 4.8136 8.3814 119.6109 50.1444 22.1924 175.3200 54 V 4.3681 8.3325 120.7365 61.7528 33.2253 175.1489 55 T 4.9234 8.9464 124.5427 61.7844 71.7488 173.5167 56 V 5.1014 8.2449 123.7317 60.5326 34.7712 174.1675 57 T 4.8489 8.8080 112.3777 60.2051 72.7243 172.2290 58 E 5.0171 8.6999 121.8613 54.5847 32.7544 175.6211 59 D 4.8566 8.5884 125.2376 53.2051 43.3822 176.1130 60 G 3.6951 8.7073 108.1357 49.5080 0.0000 174.3272 61 T 4.6064 7.2823 113.9437 58.9666 67.0210 172.1870 62 V 4.5723 7.3449 122.1158 61.5865 36.0573 172.7744 63 V 4.6817 8.7313 127.5271 60.1955 34.0933 174.2292 64 T 4.7125 8.4963 120.0695 60.4690 69.0836 173.0180 65 V 4.7791 8.8588 130.1351 61.1912 33.7616 174.3656 66 V 4.9308 8.6973 127.7710 61.2193 34.4250 174.3052 67 S 5.0296 8.8214 122.8543 57.1665 66.3403 173.5259 68 T 4.7430 8.2144 118.2203 60.4712 65.9134 173.5012 69 A 4.6434 7.4266 132.5799 50.8284 21.4269 175.3387 70 K 3.2678 7.7156 116.2147 56.1897 32.8606 176.0164 71 F 4.5480 5.9353 118.8570 57.7984 39.7425 175.6905 72 S 4.8037 8.8414 115.3331 58.7673 64.9791 175.8176 73 G 3.4350 8.6008 112.0942 46.9043 0.0000 175.7899 74 K 3.7057 9.3767 125.0639 59.8520 32.6852 175.9101 75 Y 3.7066 7.5784 116.3673 60.6002 37.8985 178.0629 76 L 4.0765 7.9010 120.9756 58.2153 42.0316 179.2531 77 K 4.2935 7.8329 118.1996 58.6410 32.3569 178.1893 78 Y 4.2361 8.4055 120.4466 61.0562 38.6820 178.5381 79 L 3.8402 8.1082 119.8932 57.5854 41.4139 179.4757 80 T 3.6018 7.5211 109.6976 64.5885 68.3651 176.3582 81 K 3.6509 7.3241 121.6483 59.1076 31.9489 178.8895 82 K 3.7367 6.9651 117.2142 59.5627 32.1935 178.0250 83 Y 4.3308 6.2647 115.3039 60.8541 37.9418 177.1829 84 L 4.1218 7.5681 119.2593 56.5242 41.8045 177.1761 85 K 4.3529 7.3378 117.6030 55.5494 32.6830 173.8877 86 K 3.9702 7.3770 133.9041 56.0445 36.6855 173.6633 87 N 4.9640 7.8415 117.6638 52.5788 42.8101 173.4944 88 Q 4.1625 8.7304 120.3351 56.2638 28.1028 175.0455 89 L 4.2066 8.5485 122.1465 57.0140 42.0333 177.6038 90 R 4.8566 7.2776 114.5828 54.9975 31.0806 175.4637 91 D 4.8455 7.4396 117.5989 53.1193 44.9856 176.3424 92 W 5.0482 8.5220 118.8415 57.8521 31.7774 173.9726 93 I 4.5550 7.4177 120.6617 60.1744 37.1570 174.6102 94 R 4.5369 6.8046 119.2815 56.6809 31.2957 174.1635 95 F 4.9337 8.5617 115.9131 56.6877 44.2398 171.8858 96 V 4.6568 7.8737 124.9662 63.0661 31.1961 179.5524 97 S 4.5530 9.0155 115.8421 57.9560 64.2057 173.1243 98 T 4.0480 8.9354 113.2595 65.5506 67.0586 175.4922 99 K 4.4615 7.5668 120.2661 56.9551 33.4242 175.9112 100 T 4.5972 8.3319 109.3540 62.0349 71.7652 174.4472 101 N 4.0594 8.5907 115.9435 53.5286 35.4900 172.8953 102 E 4.3241 7.9553 121.6222 56.8849 30.9548 176.4490 103 Y 5.3706 8.5190 120.2699 55.3061 41.2490 175.0283 104 R 4.3667 9.0160 120.2151 54.3357 34.0423 173.9652 105 L 5.2765 8.9692 126.3425 53.7095 43.2252 175.2918 106 A 5.2031 8.7023 129.0108 50.1323 20.8601 174.2710 107 F 5.0358 8.7279 120.9879 55.7779 38.8427 175.9105 108 Y 4.5780 9.2669 123.5103 56.3336 38.6355 175.0736 *109 Q 3.8631 8.6391 125.4376 56.1389 28.7452 175.6745 *110 V 4.0449 8.0817 117.4646 60.1888 31.8801 174.4163 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 6 S 8.33 4.34 0.00 3.85 3.84 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 7 R 7.89 3.64 0.00 1.89 1.85 0.00 3.31 0.00 0.00 3.24 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 8 K 6.41 4.34 0.00 1.84 1.77 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.14 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.22 1.38 7.81 9 Q 8.35 5.30 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.72 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 10 K 8.25 4.77 0.00 1.76 1.73 0.00 1.64 0.00 0.00 1.60 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.57 7.81 11 I 8.65 4.64 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.60 0.98 0.00 0.00 12 A 9.05 5.04 1.33 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 0.00 0.00 0.00 13 K 9.22 5.06 0.00 1.90 1.95 0.00 1.74 0.00 0.00 1.93 0.00 0.00 3.04 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.52 1.53 7.81 14 T 8.70 5.46 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 1.25 0.00 0.00 15 F 8.41 4.52 0.00 1.51 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 0.00 0.00 0.00 0.00 16 T 7.37 4.50 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 17 V 7.38 4.26 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 0.99 0.00 0.00 0.97 0.00 0.00 18 D 8.56 4.81 0.00 2.74 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.14 3.98 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 0.19 0.00 0.00 0.73 0.00 0.00 20 S 8.34 4.63 0.00 4.04 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 21 S 8.92 4.48 0.00 4.13 4.51 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.82 0.00 2.16 2.02 0.00 3.96 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.96 0.00 23 T 7.35 3.97 3.63 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 -0.51 0.00 0.00 24 E 8.07 4.14 0.00 2.22 2.53 0.00 0.00 0.00 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 2.45 0.00 25 N 7.38 4.70 0.00 2.69 2.69 0.00 0.00 7.11 7.98 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 26 G 7.73 4.11 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 0.00 27 V 7.24 3.77 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 0.73 0.00 0.00 0.66 0.00 0.00 28 F 7.03 5.12 0.00 2.97 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 29 D 8.13 4.58 0.00 2.91 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 30 P 0.00 4.47 0.00 2.41 2.38 0.00 3.77 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 2.13 2.07 0.00 31 A 8.07 4.04 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 32 S 8.21 4.06 0.00 4.28 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 33 Y 8.19 4.24 0.00 3.04 3.19 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 34 A 8.32 3.67 1.43 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 0.00 0.00 35 K 8.65 3.88 0.00 1.72 1.83 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.61 1.59 7.81 36 Y 7.37 2.39 0.00 2.58 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 37 L 7.41 4.00 0.00 1.60 1.57 0.28 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.76 3.63 1.82 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 1.39 1.33 0.93 0.00 0.00 39 D 8.12 4.36 0.00 2.95 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 40 H 8.26 4.22 0.00 3.49 3.61 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.97 3.62 1.86 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 1.42 1.12 0.90 0.00 0.00 42 K 7.74 3.96 0.00 1.82 2.03 0.00 1.68 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 1.44 1.48 7.81 43 V 7.58 3.70 2.12 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 0.87 0.00 0.00 0.98 0.00 0.00 44 E 7.98 4.38 0.00 1.87 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 0.00 2.37 2.41 0.00 45 G 7.35 3.66 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 0.00 0.00 0.00 46 A 7.21 4.59 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 47 V 8.40 4.42 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 0.92 0.00 0.00 48 G 7.94 4.16 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 0.00 49 N 8.41 4.72 0.00 2.87 2.85 0.00 0.00 6.74 7.85 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 50 L 7.34 4.17 0.00 1.57 1.48 1.03 0.97 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 51 G 8.23 4.08 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 0.00 0.00 0.00 52 N 8.65 4.99 0.00 2.66 2.75 0.00 0.00 6.16 7.26 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 53 A 8.38 4.81 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 54 V 8.33 4.37 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 0.96 0.00 0.00 0.93 0.00 0.00 55 T 8.95 4.92 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 1.23 0.00 0.00 56 V 8.24 5.10 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 0.93 0.00 0.00 57 T 8.81 4.85 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 58 E 8.70 5.02 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 2.19 2.37 0.00 59 D 8.59 4.86 0.00 2.71 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.71 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 61 T 7.28 4.61 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 1.13 0.00 0.00 62 V 7.34 4.57 2.20 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 0.85 0.00 0.00 0.85 0.00 0.00 63 V 8.73 4.68 2.44 0.00 0.00 0.00 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 1.04 0.00 0.00 64 T 8.50 4.71 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 1.29 0.00 0.00 65 V 8.86 4.78 2.12 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 1.04 0.00 0.00 0.95 0.00 0.00 66 V 8.70 4.93 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 1.09 0.00 0.00 0.96 0.00 0.00 67 S 8.82 5.03 0.00 3.80 3.69 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 68 T 8.21 4.74 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 1.22 0.00 0.00 69 A 7.43 4.64 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 70 K 7.72 3.27 0.00 0.79 0.74 0.00 1.22 0.00 0.00 1.24 0.00 0.00 2.68 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.80 0.76 7.81 71 F 5.94 4.55 0.00 3.03 2.89 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 72 S 8.84 4.80 0.00 4.20 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 0.00 73 G 8.60 3.43 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 0.00 0.00 0.00 74 K 9.38 3.71 0.00 1.65 1.29 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.43 7.81 75 Y 7.58 3.71 0.00 3.13 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 76 L 7.90 4.08 0.00 1.98 1.76 1.05 0.46 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 77 K 7.83 4.29 0.00 1.86 1.84 0.00 1.93 0.00 0.00 1.39 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.26 7.81 78 Y 8.41 4.24 0.00 2.77 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 79 L 8.11 3.84 0.00 1.90 1.53 1.13 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 80 T 7.52 3.60 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 1.46 0.00 0.00 81 K 7.32 3.65 0.00 1.89 1.76 0.00 1.40 0.00 0.00 1.50 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.23 1.30 7.81 82 K 6.97 3.74 0.00 1.20 1.69 0.00 1.55 0.00 0.00 1.54 0.00 0.00 2.66 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.20 1.32 7.81 83 Y 6.26 4.33 0.00 2.81 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 84 L 7.57 4.12 0.00 1.47 1.61 0.83 1.16 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 85 K 7.34 4.35 0.00 1.79 1.77 0.00 1.57 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.22 1.30 7.81 86 K 7.38 3.97 0.00 1.84 1.82 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.18 1.26 7.81 87 N 7.84 4.96 0.00 2.64 2.62 0.00 0.00 7.20 7.08 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 88 Q 8.73 4.16 0.00 2.27 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.67 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 89 L 8.55 4.21 0.00 1.73 1.95 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.28 4.86 0.00 2.08 2.16 0.00 3.17 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 91 D 7.44 4.85 0.00 2.54 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 92 W 8.52 5.05 0.00 3.50 3.32 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 93 I 7.42 4.56 2.21 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.61 1.15 0.00 0.00 94 R 6.80 4.54 0.00 1.84 1.95 0.00 2.58 0.00 0.00 3.83 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.42 0.00 95 F 8.56 4.93 0.00 2.98 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 96 V 7.87 4.66 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 0.84 0.00 0.00 0.96 0.00 0.00 97 S 9.02 4.55 0.00 4.05 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 98 T 8.94 4.05 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 1.34 0.00 0.00 99 K 7.57 4.46 0.00 2.21 1.99 0.00 1.23 0.00 0.00 1.77 0.00 0.00 3.15 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.41 1.44 7.81 100 T 8.33 4.60 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 1.33 0.00 0.00 101 N 8.59 4.06 0.00 3.05 3.53 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 0.00 102 E 7.96 4.32 0.00 2.01 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 0.00 2.33 2.30 0.00 103 Y 8.52 5.37 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.02 4.37 0.00 1.72 1.80 0.00 3.07 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.45 0.00 105 L 8.97 5.28 0.00 1.86 1.59 1.37 1.31 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 0.00 106 A 8.70 5.20 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.73 5.04 0.00 3.34 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 0.00 108 Y 9.27 4.58 0.00 2.96 3.01 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 *109 Q 8.64 3.86 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.94 0.00 0.00 0.00 0.00 0.00 2.30 1.97 0.00 *110 V 8.08 4.04 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 0.88 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.