NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.5940 8.3293 121.9268 55.2466 30.5062 174.3232 2 S 4.6222 8.1478 111.6789 56.7290 66.7761 167.6012 3 V 5.0147 9.2151 115.4925 59.9953 35.6805 176.2128 4 T 4.5990 9.7248 121.2804 61.9805 72.1086 173.0645 5 Q 5.0126 8.7025 125.9653 53.5508 29.4853 174.5494 6 P 4.2846 0.0000 0.0000 64.9365 31.7026 176.6002 7 D 4.6891 7.9568 118.6787 52.7051 41.4930 175.9791 8 A 4.3412 8.5406 126.8197 54.0800 19.9262 177.0588 9 R 5.0936 7.7710 112.8412 54.7266 34.3744 175.0713 10 V 4.4986 9.1384 122.7870 61.3916 35.1602 174.0717 11 T 5.1396 8.5807 123.2093 61.9720 71.1849 173.6760 12 V 4.5987 8.7323 118.2419 59.5781 36.7929 175.0141 13 S 4.6049 8.4931 118.2268 57.7312 64.3505 173.6238 14 E 4.0134 8.4120 124.2237 58.2817 29.5940 177.6080 15 G 3.8200 9.1219 114.7685 44.3219 0.0000 173.0703 16 A 4.5316 7.7062 122.0849 50.9555 20.5076 177.0253 17 S 4.9923 8.3018 113.5365 57.0996 64.8473 173.3059 18 L 4.7248 9.1203 123.0397 53.3298 45.2979 175.2061 19 Q 4.5648 8.4442 125.4893 54.6863 31.7154 173.5429 20 L 4.6829 8.7000 127.5247 52.9949 44.2034 176.0742 21 R 4.8492 8.5750 122.2035 55.4307 31.9938 176.4036 22 C 5.3155 8.9901 121.3660 55.3649 45.8823 172.5764 23 K 5.4523 9.6024 125.0309 54.7614 35.7351 174.7902 24 Y 5.1692 8.6253 122.0937 55.2319 41.3667 175.7392 25 S 4.5652 9.2319 115.1049 57.0940 65.6234 172.6036 26 Y 4.9000 8.6885 127.0035 56.6912 40.2891 174.3110 27 S 4.1007 9.0225 123.8847 61.6317 63.1856 175.3513 28 A 3.9993 6.3293 120.4273 51.2666 19.4135 175.7179 29 T 3.8007 8.0441 112.2740 61.1881 67.6114 172.7688 30 P 4.2212 0.0000 0.0000 62.4859 31.4476 175.2432 31 Y 4.7184 8.1343 122.3730 56.5041 39.4181 174.6741 32 L 5.2151 8.0345 124.5607 52.9901 44.5535 176.0147 33 F 5.5488 9.4687 120.1804 55.7933 44.0313 173.4949 34 W 5.4087 9.3202 121.3116 55.3496 31.8995 174.4160 35 Y 5.4066 10.0574 122.2120 56.1431 41.4510 174.9368 36 V 4.4655 8.8673 121.3370 59.8494 34.8936 174.3996 37 Q 4.6005 8.4244 123.4665 54.8116 31.8491 173.9982 38 Y 4.8134 8.4746 123.7680 55.7304 40.5776 173.4198 39 P 4.2224 0.0000 0.0000 64.5240 31.8014 176.5518 40 R 3.9246 8.8269 119.0673 57.1611 27.5476 175.5393 41 Q 4.6107 7.7820 115.2889 54.1890 32.8170 174.6701 42 G 4.0643 8.2696 106.4753 44.3362 0.0000 171.9153 43 P 4.8342 0.0000 0.0000 62.7524 32.0631 176.1825 44 Q 4.8802 9.5218 122.8644 53.6169 31.9669 174.9041 45 L 3.2809 8.5764 125.6669 55.4938 42.4022 176.0350 46 L 4.5878 8.6531 126.3320 55.8333 43.7606 176.1543 47 L 4.8654 7.5151 116.4139 55.5377 43.1364 172.6364 48 K 4.9371 8.4873 117.3719 55.7992 35.8360 174.6976 49 Y 4.3567 8.4642 121.6222 56.4503 41.2957 174.2792 50 Y 4.4934 7.3585 122.6639 58.4917 39.9825 175.5620 51 S 4.2914 6.4123 109.0357 58.8391 65.8155 176.6113 52 G 4.0001 8.7494 106.5874 44.1180 0.0000 174.4073 53 D 4.4540 8.7943 124.4477 54.3137 41.4703 174.7495 54 P 4.5165 0.0000 0.0000 64.6840 32.8455 175.6306 55 V 4.7522 8.1405 121.4043 61.6988 32.4353 175.3964 56 V 4.6388 8.6953 121.5098 59.6805 34.6215 175.2411 57 Q 4.6527 8.8322 123.6151 55.4791 30.0467 175.6080 58 G 4.2435 8.7530 110.7741 43.9861 0.0000 172.5069 59 V 3.7409 8.4535 118.4955 63.6496 32.2362 175.7201 60 N 3.9252 9.8643 120.7151 54.8108 37.1395 175.0209 61 G 3.8132 8.3239 102.6075 45.3707 0.0000 173.4469 62 F 4.9533 7.9454 119.0118 56.7240 40.7914 174.6384 63 E 5.2502 9.1723 118.5950 55.2125 33.6470 173.6432 64 A 4.9759 8.9531 120.7465 50.3021 23.4004 174.6380 65 E 5.1829 8.7702 119.8894 54.3624 32.4758 174.7159 66 F 4.9760 9.4542 130.4857 57.9319 40.7069 175.0914 67 S 3.9635 8.1859 119.6998 56.2899 64.6640 174.2268 68 K 3.6483 8.0799 129.7899 59.3045 32.4360 178.9269 69 S 4.0257 8.0471 111.9229 61.4443 62.6691 174.8113 70 N 4.4963 7.5606 113.9667 52.1034 38.9073 174.9736 71 S 3.1724 7.4258 114.6975 59.6541 61.2770 171.3963 72 S 5.3181 7.7498 112.4716 56.7643 66.7322 173.9518 73 F 6.2623 8.7599 122.2299 57.0952 39.4556 172.6497 74 H 4.9737 8.3958 119.4081 55.1423 30.5310 174.1753 75 L 4.5843 8.5307 124.9905 53.8647 43.9777 175.3696 76 R 5.6092 8.7131 122.3581 54.4105 35.1999 174.0111 77 K 4.6452 8.1995 121.8860 54.9816 35.3280 176.9004 78 A 3.7869 8.6458 129.9622 54.7156 18.4941 176.2263 79 S 4.7333 7.3774 110.7115 56.4796 64.1769 173.5407 80 V 3.9641 8.7877 120.0416 61.3408 32.8288 175.0709 81 H 5.0978 9.3911 120.8812 53.9166 31.5243 176.0103 82 R 3.9309 8.8325 119.2189 59.6797 29.9735 179.0701 83 S 4.4109 8.0718 109.7178 60.0531 63.0350 174.2650 84 D 4.9342 8.2336 120.6379 55.1589 41.0228 176.4507 85 S 4.6726 8.4741 116.4733 59.1255 63.3878 173.5629 86 A 4.2748 8.1639 125.3883 51.9068 22.9396 173.7700 87 V 4.6725 7.6327 117.1934 61.6142 33.7873 174.5964 88 Y 5.0430 9.0499 125.9237 56.3092 40.5127 174.5975 89 F 5.2032 9.6839 123.0200 55.8600 42.3713 173.6217 90 C 4.3466 8.6061 122.8210 55.3293 44.3549 171.9555 91 A 5.2156 8.9867 126.0347 50.3160 22.9076 175.1916 92 V 4.9348 8.1627 118.2610 59.7460 35.0698 174.9260 93 S 4.1796 9.3361 119.5182 57.9803 63.4005 173.1481 *99 G 4.5638 8.4783 113.9839 45.7026 0.0000 171.7200 100 F 4.0823 9.0119 123.6657 60.0478 39.7162 175.2821 101 A 3.4638 8.5181 127.3227 52.7763 16.0800 177.3909 102 S 3.8010 8.1822 110.2111 60.2424 60.8918 171.3559 103 A 4.1435 7.8426 122.5075 51.9273 18.6401 178.2511 104 L 4.0671 8.2505 121.8955 54.6266 42.9836 176.4464 105 T 4.4152 8.4093 120.3844 62.0900 70.1556 174.0408 106 F 4.9421 8.7741 125.3375 56.1628 40.9654 176.1603 107 G 4.1881 8.9380 110.1251 45.6123 0.0000 173.8028 108 S 4.4781 8.8278 113.3068 59.1912 63.6031 175.5576 109 G 3.5113 8.7181 106.3274 45.3588 0.0000 172.7256 110 T 4.7289 8.3237 116.2457 61.2456 72.1605 173.2188 111 K 4.6081 8.9630 129.1525 56.0464 33.6190 175.5076 112 V 4.8769 9.1442 127.8243 61.1817 34.1583 174.0919 113 I 4.7992 8.8578 128.8333 59.4108 40.0624 174.6807 114 V 4.7223 8.2103 127.0838 59.8105 33.0497 175.9551 115 L 4.2895 8.7075 125.1762 54.7847 41.7177 177.0685 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 Q 8.33 4.59 0.00 2.57 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.64 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 2 S 8.15 4.62 0.00 3.93 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 3 V 9.22 5.01 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 0.79 0.00 0.00 1.04 0.00 0.00 4 T 9.72 4.60 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 1.25 0.00 0.00 5 Q 8.70 5.01 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.90 0.00 0.00 0.00 0.00 0.00 2.60 2.37 0.00 6 P 0.00 4.28 0.00 2.20 2.22 0.00 4.02 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 7 D 7.96 4.69 0.00 2.70 2.66 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 8 A 8.54 4.34 1.30 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 0.00 0.00 0.00 9 R 7.77 5.09 0.00 1.65 1.79 0.00 3.16 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 10 V 9.14 4.50 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 1.02 0.00 0.00 0.90 0.00 0.00 11 T 8.58 5.14 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 1.26 0.00 0.00 12 V 8.73 4.60 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 0.67 0.00 0.00 0.90 0.00 0.00 13 S 8.49 4.60 0.00 3.76 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 14 E 8.41 4.01 0.00 2.03 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 2.31 2.27 0.00 15 G 9.12 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 16 A 7.71 4.53 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 17 S 8.30 4.99 0.00 3.81 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 18 L 9.12 4.72 0.00 1.58 1.35 0.78 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.44 4.56 0.00 1.95 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.47 0.00 0.00 0.00 0.00 0.00 2.14 2.25 0.00 20 L 8.70 4.68 0.00 0.88 1.38 0.32 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.57 4.85 0.00 1.73 1.89 0.00 3.16 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.52 0.00 22 C 8.99 5.32 0.00 3.21 3.44 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 0.00 0.00 0.00 0.00 23 K 9.60 5.45 0.00 1.70 1.60 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.43 7.81 24 Y 8.63 5.17 0.00 2.99 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 25 S 9.23 4.57 0.00 3.91 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 0.00 26 Y 8.69 4.90 0.00 2.98 3.04 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 0.00 0.00 0.00 0.00 27 S 9.02 4.10 0.00 3.72 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 28 A 6.33 4.00 0.73 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 0.00 0.00 29 T 8.04 3.80 4.09 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 1.03 0.00 0.00 30 P 0.00 4.22 0.00 1.61 1.62 0.00 3.63 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 1.78 2.08 0.00 31 Y 8.13 4.72 0.00 3.10 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 32 L 8.03 5.22 0.00 0.56 0.87 0.58 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 33 F 9.47 5.55 0.00 3.07 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 34 W 9.32 5.41 0.00 3.34 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 35 Y 10.06 5.41 0.00 3.15 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 36 V 8.87 4.47 1.54 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 0.76 0.00 0.00 -0.31 0.00 0.00 37 Q 8.42 4.60 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 38 Y 8.47 4.81 0.00 2.97 2.86 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 39 P 0.00 4.22 0.00 2.10 2.05 0.00 4.02 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 2.11 2.19 0.00 40 R 8.83 3.92 0.00 1.96 2.03 0.00 3.21 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 41 Q 7.78 4.61 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 42 G 8.27 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 43 P 0.00 4.83 0.00 1.82 1.91 0.00 3.49 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.70 0.00 44 Q 9.52 4.88 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.99 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 45 L 8.58 3.28 0.00 1.29 1.46 0.77 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.65 4.59 0.00 1.84 1.67 0.85 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.52 4.87 0.00 1.81 1.81 1.19 0.18 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 48 K 8.49 4.94 0.00 0.79 1.46 0.00 0.76 0.00 0.00 1.50 0.00 0.00 2.13 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.97 0.56 7.81 49 Y 8.46 4.36 0.00 2.98 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 0.00 0.00 0.00 50 Y 7.36 4.49 0.00 2.67 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 51 S 6.41 4.29 0.00 3.85 3.67 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 52 G 8.75 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 53 D 8.79 4.45 0.00 2.72 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 54 P 0.00 4.52 0.00 2.36 2.43 0.00 3.83 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 2.15 2.04 0.00 55 V 8.14 4.75 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 0.82 0.00 0.00 0.98 0.00 0.00 56 V 8.70 4.64 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 0.99 0.00 0.00 1.27 0.00 0.00 57 Q 8.83 4.65 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 58 G 8.75 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 0.00 0.00 0.00 0.00 59 V 8.45 3.74 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 1.03 0.00 0.00 0.98 0.00 0.00 60 N 9.86 3.93 0.00 2.96 3.11 0.00 0.00 7.10 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 61 G 8.32 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 62 F 7.95 4.95 0.00 3.16 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 63 E 9.17 5.25 0.00 2.10 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 2.15 2.22 0.00 64 A 8.95 4.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.77 5.18 0.00 2.05 1.79 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 2.22 2.26 0.00 66 F 9.45 4.98 0.00 2.35 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 0.00 0.00 0.00 67 S 8.19 3.96 0.00 3.74 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.08 3.65 0.00 1.87 1.74 0.00 1.98 0.00 0.00 1.99 0.00 0.00 3.25 0.00 0.00 3.49 0.00 0.00 0.00 0.00 1.55 1.52 7.81 69 S 8.05 4.03 0.00 3.96 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 70 N 7.56 4.50 0.00 2.65 2.81 0.00 0.00 7.29 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 71 S 7.43 3.17 0.00 3.64 3.06 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 72 S 7.75 5.32 0.00 3.81 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 73 F 8.76 6.26 0.00 3.14 3.20 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 74 H 8.40 4.97 0.00 3.14 3.35 0.00 5.67 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.53 4.58 0.00 0.27 0.14 0.51 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.71 5.61 0.00 1.63 1.64 0.00 3.10 0.00 0.00 3.15 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.33 0.00 77 K 8.20 4.65 0.00 1.05 1.25 0.00 0.61 0.00 0.00 1.19 0.00 0.00 2.79 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.07 1.14 7.81 78 A 8.65 3.79 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 79 S 7.38 4.73 0.00 3.77 3.59 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 80 V 8.79 3.96 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 0.58 0.00 0.00 0.91 0.00 0.00 81 H 9.39 5.10 0.00 3.12 3.21 0.00 5.83 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.83 3.93 0.00 1.91 2.04 0.00 3.15 0.00 0.00 3.41 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 83 S 8.07 4.41 0.00 3.98 4.01 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 84 D 8.23 4.93 0.00 2.98 3.04 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 0.00 0.00 0.00 0.00 85 S 8.47 4.67 0.00 3.89 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 86 A 8.16 4.27 0.68 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 87 V 7.63 4.67 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 0.49 0.00 0.00 0.90 0.00 0.00 88 Y 9.05 5.04 0.00 3.01 3.11 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 89 F 9.68 5.20 0.00 3.16 3.20 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 90 C 8.61 4.35 0.00 1.75 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.99 5.22 0.62 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 0.00 0.00 92 V 8.16 4.93 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 0.58 0.00 0.00 0.53 0.00 0.00 93 S 9.34 4.18 0.00 4.23 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 *99 G 8.48 4.56 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 0.00 100 F 9.01 4.08 0.00 3.16 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 0.00 101 A 8.52 3.46 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 0.00 102 S 8.18 3.80 0.00 3.96 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 0.00 103 A 7.84 4.14 1.22 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 0.00 104 L 8.25 4.07 0.00 0.99 0.59 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.41 4.42 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 1.18 0.00 0.00 106 F 8.77 4.94 0.00 2.81 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 0.00 107 G 8.94 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 0.00 108 S 8.83 4.48 0.00 4.07 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 0.00 109 G 8.72 3.51 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 0.00 0.00 0.00 110 T 8.32 4.73 4.35 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 1.27 0.00 0.00 111 K 8.96 4.61 0.00 1.84 1.68 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.41 7.81 112 V 9.14 4.88 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 0.91 0.00 0.00 0.78 0.00 0.00 113 I 8.86 4.80 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.64 0.93 0.00 0.00 114 V 8.21 4.72 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 0.97 0.00 0.00 115 L 8.71 4.29 0.00 1.63 1.60 0.92 0.64 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 * Residues marked with a * may have inaccurate shift predictions.