NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 H 4.6993 8.4444 117.8576 56.1597 30.0817 171.2367 0 H 4.7630 8.0895 119.5399 53.1170 33.2081 170.5386 2 Q 4.5097 8.4381 117.7785 55.1303 31.2589 172.4082 3 A 4.9765 8.7531 122.4146 50.3084 21.3826 175.4949 4 R 4.6245 9.1868 123.9446 54.0956 32.0542 175.2154 5 W 3.6210 8.9783 135.0000 56.7743 31.2334 175.5561 6 I 3.9288 7.5079 119.7832 60.6081 37.5421 175.2521 7 G 3.2550 6.0716 107.0328 45.7983 0.0000 174.7181 8 N 4.1613 8.8929 118.0334 54.9853 38.3561 174.8801 *11 F 4.7649 7.4825 114.0420 57.5688 41.0603 173.3024 12 H 5.4437 9.2684 121.9762 54.3724 32.9237 172.3300 13 V 4.7479 8.7567 125.1798 61.0314 34.5961 173.9359 14 R 4.9271 8.4704 128.2476 54.8776 31.0240 176.1145 15 T 4.2641 8.5651 117.1791 61.0313 69.8176 175.3326 16 D 4.3766 8.6534 122.2319 57.5138 40.8498 178.3786 17 S 4.1512 7.9249 111.6573 59.1751 63.2247 172.9050 18 N 4.1799 8.0208 118.4111 55.4060 37.1120 172.7452 19 H 5.1352 8.4493 112.9263 53.8216 33.5733 173.4668 20 D 5.2017 8.6722 119.6944 53.9143 42.1878 176.2835 21 V 4.4490 8.8114 121.8051 61.3154 34.8699 174.4598 22 L 5.6328 8.3624 126.5031 52.0818 45.4184 174.1576 *24 D 4.5501 8.3008 118.4691 55.1606 43.1637 173.1662 25 T 4.9881 7.9270 113.1714 60.0611 71.6665 172.5237 26 K 4.3645 8.6369 120.7210 56.5675 32.8126 178.7125 27 E 4.6931 8.8597 121.5878 59.0042 29.8066 179.2327 28 E 3.9987 8.3353 117.4923 58.9278 29.5528 178.1200 29 V 4.2621 7.7920 109.2385 61.3188 31.9556 176.3351 30 G 4.0489 8.2139 107.6648 45.2747 0.0000 174.6020 31 G 4.1089 8.1077 109.5947 44.3500 0.0000 174.7899 32 K 4.2765 8.8106 118.3772 55.2121 33.3587 176.3118 33 D 4.3054 7.9108 117.2724 55.8490 39.7846 173.7737 34 A 4.5853 8.2254 118.6454 51.5413 20.0230 176.0348 35 A 4.4237 7.2422 117.4623 51.0060 21.7871 174.7173 36 P 4.6028 0.0000 0.0000 62.4717 32.2865 177.7068 37 R 4.6259 8.9263 121.3774 54.6486 32.0517 176.1170 38 P 4.2134 0.0000 0.0000 66.0953 31.4379 178.8699 39 L 4.0174 7.9206 118.0999 58.0245 41.9568 178.6059 40 E 4.0065 8.1713 118.3587 59.3416 29.3837 179.1067 41 L 4.4118 7.7658 120.2049 57.0492 41.6523 179.6002 42 V 3.5186 7.8365 118.1983 66.1739 31.2962 178.2084 43 L 3.8874 7.7344 117.4078 57.7267 41.8267 179.2544 44 T 4.0444 8.3878 110.4816 64.7013 68.5742 176.6816 45 G 3.6716 8.3946 109.1379 47.3431 0.0000 176.3957 46 L 4.1413 7.7906 118.7673 55.0941 41.2763 179.3322 *48 G 3.8483 8.0593 110.3396 45.9110 0.0000 175.5032 49 C 3.9445 8.3995 117.3180 63.0549 28.5610 175.3990 50 T 4.1726 7.4469 113.0373 64.5318 67.2794 177.0131 51 G 3.8019 7.6401 107.6253 46.8044 0.0000 174.6752 *53 D 4.6224 8.2213 120.2224 54.1854 42.9042 178.2699 54 V 3.6533 8.0842 118.0779 65.9338 31.4734 178.2161 55 V 3.6336 8.1825 118.1104 65.9812 31.4292 177.8813 56 S 4.1288 8.1256 112.3490 61.4906 62.0804 176.0867 57 I 3.7485 7.9429 121.3388 64.5699 37.2949 178.1843 58 L 4.1144 8.1455 119.8355 57.7404 41.1235 179.7325 59 R 4.0021 7.9828 118.1619 58.9172 30.0979 179.2344 60 K 4.0063 7.7487 116.4678 56.5373 32.5980 176.8047 *62 K 4.2205 7.9907 114.1354 56.2482 33.4960 176.6781 63 V 4.6689 7.7799 108.1585 59.5625 33.7412 177.8956 64 I 3.8854 7.9142 120.7908 63.5152 38.3929 176.6285 65 D 4.5041 8.2244 119.7129 56.0245 39.7502 176.1010 66 Q 4.5118 7.8137 121.3271 54.3714 27.2483 175.9049 *68 K 4.2286 7.8709 119.0771 56.0782 34.7256 176.1576 69 D 4.8843 7.8545 116.0240 53.2176 45.8660 174.7269 70 F 5.4529 8.4344 122.7265 57.3445 42.4529 173.2857 71 R 4.2282 8.9701 121.6421 54.5962 33.4621 173.6445 72 I 4.7010 7.7324 119.5167 59.4203 40.0485 174.9205 73 E 4.7222 8.9202 125.3988 54.3843 33.1889 174.6775 74 I 4.9060 8.4335 124.5550 59.8888 40.7837 174.7266 75 E 4.9641 9.7324 127.9858 54.9434 32.3531 171.3765 76 Y 5.5197 8.1304 121.2464 54.7011 41.7872 174.0555 77 E 4.8893 9.4593 119.5133 54.7636 33.2615 175.2311 78 R 5.0443 8.4176 122.6312 54.6225 33.1099 174.7060 79 T 4.0010 8.8793 119.6743 63.0903 69.0149 174.3244 80 E 4.3439 8.6212 117.1930 57.4072 31.0924 177.4501 81 E 4.2752 7.7635 117.4248 55.5879 30.4484 176.2868 82 H 4.4994 8.3289 119.7221 55.0746 29.4691 173.4556 83 P 4.5267 0.0000 0.0000 62.1936 32.0836 176.1029 84 R 4.3412 8.5480 122.6331 56.0835 30.6501 175.9202 85 I 4.6939 8.6258 116.6056 58.8912 41.8633 174.3316 86 F 4.7892 8.8088 122.6110 57.8210 39.3947 176.0886 87 T 4.9262 9.2790 113.9408 61.8423 71.2645 174.8587 88 K 4.9606 7.9520 120.2486 53.9195 36.9563 175.6329 89 V 4.9779 8.4865 123.2701 61.5712 35.2251 173.2558 90 H 5.5237 9.7565 127.2625 54.5026 33.2882 171.6965 91 L 5.1677 8.7717 125.0124 52.8634 44.8652 175.3333 92 K 4.9719 8.8510 122.3666 54.9378 35.0147 174.7464 93 Y 4.7794 9.2687 123.5295 56.7861 39.6164 174.7067 94 I 4.9590 8.6617 126.7083 59.5349 39.7598 175.0126 95 F 5.4478 9.3102 125.9425 55.4849 42.8927 174.3617 96 K 5.2773 9.0163 122.4720 53.7416 34.8519 174.9364 97 F 5.1902 9.0598 125.2706 55.3986 42.2803 174.5021 98 D 4.3436 9.4555 122.6778 55.3170 41.4934 177.7825 99 G 3.8355 8.9162 118.3361 45.3202 0.0000 172.5078 *100 E 4.0920 8.5775 115.4457 54.9531 30.1901 171.0865 101 P 3.8031 0.0000 0.0000 61.1275 32.2881 176.2194 102 P 4.3449 0.0000 0.0000 61.7420 28.3752 177.0240 103 K 3.9620 7.4535 126.3934 59.6863 32.4940 178.2312 104 D 4.2967 7.8729 118.6695 57.3618 40.7671 178.8896 105 K 3.9199 7.7846 118.4570 59.2973 32.1257 179.4817 106 V 3.3381 7.6311 118.5496 65.9292 31.3057 177.9841 107 E 3.9438 8.4305 118.7666 59.1526 29.2887 179.2681 108 K 3.8453 8.1610 119.5106 59.2813 32.2546 178.7661 109 A 3.8637 8.0178 121.0840 55.2616 18.2777 179.8031 110 V 3.2171 7.6771 116.7157 65.9812 31.4716 178.2611 111 Q 3.9234 8.2828 118.1391 58.8140 28.5617 178.5386 112 L 3.5895 8.1574 120.2716 57.7574 41.1058 179.6315 113 S 4.1348 7.8907 112.7071 61.6340 62.5197 176.2728 114 Q 3.8869 8.1687 120.9993 58.2243 28.1354 177.7962 115 E 4.4312 8.4058 117.8495 56.4315 31.2928 176.9545 116 K 4.2417 7.6010 118.0366 58.2671 33.2186 176.8790 117 Y 4.5425 7.9934 115.2893 58.9066 38.4792 175.2860 118 C 4.7705 8.1139 115.5800 59.3726 25.9807 175.3220 119 S 4.1992 8.2387 116.4727 61.7417 63.1558 177.4481 120 V 3.7841 7.8949 119.2175 65.8492 30.6095 178.2365 121 S 4.0902 8.0168 113.0379 61.1111 62.6661 175.7714 122 A 4.1083 8.3982 123.8019 53.8147 18.0882 178.3130 123 I 4.2408 6.8088 116.9047 61.5450 38.9394 175.7570 124 L 4.2280 7.4389 121.2952 53.5598 42.4821 176.1291 125 K 4.2355 8.5174 126.3105 56.2907 32.6437 176.0194 126 C 5.0687 8.2951 123.1764 57.7112 34.8358 174.0405 127 S 4.3199 9.1370 121.2291 60.0465 62.7474 174.0200 128 S 5.0420 7.3626 115.3405 55.4699 65.4739 173.1549 129 K 4.2308 8.4148 122.5847 56.0155 32.4665 176.7054 130 V 4.0556 8.5053 126.6711 63.7184 32.0682 175.1093 131 T 4.9502 8.7578 117.8261 60.6318 71.9287 172.4544 132 Y 5.3895 7.7668 118.2103 56.3553 40.6225 173.0414 133 E 4.9181 9.4706 118.1484 55.0365 34.0303 173.8078 134 I 5.0372 8.4466 120.5950 59.6811 39.2743 175.2822 135 V 4.4608 9.0137 127.2851 61.2954 34.0784 173.7254 136 Y 5.4193 8.6313 124.2862 56.5078 40.6729 174.4207 137 E 4.8703 9.8600 124.7619 55.2583 33.6721 176.8540 138 N 4.6359 8.7164 117.6368 52.5665 37.9638 175.8929 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 H 8.44 4.70 0.00 3.14 3.33 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 8.09 4.76 0.00 3.11 3.12 0.00 5.96 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 2 Q 8.44 4.51 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.47 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 3 A 8.75 4.98 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 4 R 9.19 4.62 0.00 1.93 2.04 0.00 3.11 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 5 W 8.98 3.62 0.00 2.72 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 6 I 7.51 3.93 1.64 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.62 0.84 0.00 0.00 7 G 6.07 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 0.00 0.00 0.00 8 N 8.89 4.16 0.00 2.85 3.17 0.00 0.00 6.95 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 *11 F 7.48 4.76 0.00 3.10 3.10 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 0.00 0.00 0.00 0.00 12 H 9.27 5.44 0.00 3.15 3.13 0.00 5.52 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.76 4.75 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 1.05 0.00 0.00 1.00 0.00 0.00 14 R 8.47 4.93 0.00 2.13 1.83 0.00 3.40 0.00 0.00 3.28 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.18 0.00 15 T 8.57 4.26 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 1.22 0.00 0.00 16 D 8.65 4.38 0.00 2.71 2.80 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 0.00 0.00 0.00 17 S 7.92 4.15 0.00 4.07 4.04 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 18 N 8.02 4.18 0.00 2.81 2.85 0.00 0.00 6.92 7.51 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 19 H 8.45 5.14 0.00 3.04 3.12 0.00 5.66 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.67 5.20 0.00 2.61 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 21 V 8.81 4.45 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 1.03 0.00 0.00 0.93 0.00 0.00 22 L 8.36 5.63 0.00 1.57 1.63 0.95 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 *24 D 8.30 4.55 0.00 2.89 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 25 T 7.93 4.99 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 1.28 0.00 0.00 26 K 8.64 4.36 0.00 1.77 1.96 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.50 7.81 27 E 8.86 4.69 0.00 2.04 2.01 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 2.58 2.31 0.00 28 E 8.34 4.00 0.00 1.95 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 0.00 2.33 2.42 0.00 29 V 7.79 4.26 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 0.73 0.00 0.00 1.00 0.00 0.00 30 G 8.21 4.05 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 0.00 0.00 0.00 31 G 8.11 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 32 K 8.81 4.28 0.00 1.87 1.78 0.00 1.85 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.47 7.81 33 D 7.91 4.31 0.00 2.71 2.69 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 34 A 8.23 4.59 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 35 A 7.24 4.42 1.26 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 0.00 0.00 0.00 36 P 0.00 4.60 0.00 2.07 2.01 0.00 3.90 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 2.03 2.11 0.00 37 R 8.93 4.63 0.00 2.00 1.86 0.00 3.48 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 1.67 1.60 0.00 38 P 0.00 4.21 0.00 2.12 2.06 0.00 3.61 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 2.08 2.14 0.00 39 L 7.92 4.02 0.00 1.76 1.69 1.00 0.98 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 40 E 8.17 4.01 0.00 2.25 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 2.44 2.43 0.00 41 L 7.77 4.41 0.00 1.88 1.69 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.84 3.52 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 0.96 0.00 0.00 0.95 0.00 0.00 43 L 7.73 3.89 0.00 1.61 1.60 0.57 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.39 4.04 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 1.25 0.00 0.00 45 G 8.39 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 0.00 0.00 0.00 46 L 7.79 4.14 0.00 1.76 1.59 0.70 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 *48 G 8.06 3.85 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 0.00 0.00 0.00 49 C 8.40 3.94 0.00 3.12 3.02 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 50 T 7.45 4.17 4.33 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 1.27 0.00 0.00 51 G 7.64 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 *53 D 8.22 4.62 0.00 3.15 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 54 V 8.08 3.65 2.47 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 0.95 0.00 0.00 1.13 0.00 0.00 55 V 8.18 3.63 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 1.02 0.00 0.00 1.23 0.00 0.00 56 S 8.13 4.13 0.00 3.97 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 57 I 7.94 3.75 1.91 0.00 0.00 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 1.64 0.88 0.91 0.00 0.00 58 L 8.15 4.11 0.00 1.77 1.78 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 59 R 7.98 4.00 0.00 1.98 2.13 0.00 3.29 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 60 K 7.75 4.01 0.00 2.18 2.00 0.00 2.00 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.45 1.36 7.81 *62 K 7.99 4.22 0.00 2.08 1.87 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.04 7.81 63 V 7.78 4.67 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 0.90 0.00 0.00 1.00 0.00 0.00 64 I 7.91 3.89 1.92 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 1.51 0.78 0.95 0.00 0.00 65 D 8.22 4.50 0.00 2.89 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 66 Q 7.81 4.51 0.00 2.60 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.42 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 *68 K 7.87 4.23 0.00 1.87 1.91 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 69 D 7.85 4.88 0.00 2.59 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 70 F 8.43 5.45 0.00 2.81 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 71 R 8.97 4.23 0.00 1.62 1.75 0.00 2.65 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.44 0.00 72 I 7.73 4.70 1.51 0.00 0.00 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 0.76 -0.14 0.45 0.00 0.00 73 E 8.92 4.72 0.00 1.81 1.75 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 2.12 2.11 0.00 74 I 8.43 4.91 1.82 0.00 0.00 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 1.34 0.90 0.97 0.00 0.00 75 E 9.73 4.96 0.00 1.63 1.78 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 2.14 2.09 0.00 76 Y 8.13 5.52 0.00 3.25 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 77 E 9.46 4.89 0.00 1.97 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 2.19 2.23 0.00 78 R 8.42 5.04 0.00 1.48 1.73 0.00 2.21 0.00 0.00 2.86 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.20 0.00 79 T 8.88 4.00 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 1.20 0.00 0.00 80 E 8.62 4.34 0.00 2.00 1.89 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 2.15 1.88 0.00 81 E 7.76 4.28 0.00 1.92 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 0.00 2.27 2.24 0.00 82 H 8.33 4.50 0.00 3.15 3.20 0.00 5.69 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 P 0.00 4.53 0.00 2.18 2.06 0.00 3.77 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 1.98 1.98 0.00 84 R 8.55 4.34 0.00 1.66 1.79 0.00 3.15 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.60 0.00 85 I 8.63 4.69 1.91 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 1.21 1.32 0.98 0.00 0.00 86 F 8.81 4.79 0.00 3.24 3.07 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 87 T 9.28 4.93 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 1.24 0.00 0.00 88 K 7.95 4.96 0.00 1.77 1.76 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.32 7.81 89 V 8.49 4.98 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 0.95 0.00 0.00 0.87 0.00 0.00 90 H 9.76 5.52 0.00 3.26 3.14 0.00 5.78 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.77 5.17 0.00 1.67 1.20 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.85 4.97 0.00 1.62 1.71 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.42 7.81 93 Y 9.27 4.78 0.00 3.09 2.92 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 94 I 8.66 4.96 1.79 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 1.23 0.67 0.97 0.00 0.00 95 F 9.31 5.45 0.00 3.19 3.16 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 96 K 9.02 5.28 0.00 1.86 1.65 0.00 1.83 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.48 7.81 97 F 9.06 5.19 0.00 2.97 2.97 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 98 D 9.46 4.34 0.00 2.70 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 99 G 8.92 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 0.00 0.00 0.00 *100 E 8.58 4.09 0.00 2.00 1.77 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 2.23 1.90 0.00 101 P 0.00 3.80 0.00 1.15 1.47 0.00 3.38 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.99 0.00 102 P 0.00 4.34 0.00 2.02 1.98 0.00 2.20 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.70 0.00 103 K 7.45 3.96 0.00 1.65 1.81 0.00 1.72 0.00 0.00 1.54 0.00 0.00 2.13 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.72 1.12 7.81 104 D 7.87 4.30 0.00 2.60 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 0.00 105 K 7.78 3.92 0.00 1.82 1.76 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.41 7.81 106 V 7.63 3.34 2.01 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 0.08 0.00 0.00 0.54 0.00 0.00 107 E 8.43 3.94 0.00 2.19 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 2.36 2.44 0.00 108 K 8.16 3.85 0.00 2.01 1.89 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.33 7.81 109 A 8.02 3.86 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 0.00 110 V 7.68 3.22 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 0.46 0.00 0.00 0.70 0.00 0.00 111 Q 8.28 3.92 0.00 2.26 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.55 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 112 L 8.16 3.59 0.00 1.55 1.01 0.84 0.54 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 0.00 113 S 7.89 4.13 0.00 3.95 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 0.00 114 Q 8.17 3.89 0.00 1.72 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.35 0.00 0.00 0.00 0.00 0.00 1.85 1.16 0.00 115 E 8.41 4.43 0.00 1.90 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 0.00 2.40 2.59 0.00 116 K 7.60 4.24 0.00 1.77 1.48 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.01 7.81 117 Y 7.99 4.54 0.00 3.11 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 0.00 118 C 8.11 4.77 0.00 3.14 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 0.00 119 S 8.24 4.20 0.00 3.95 3.97 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 0.00 120 V 7.89 3.78 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 1.10 0.00 0.00 0.94 0.00 0.00 121 S 8.02 4.09 0.00 4.10 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 0.00 122 A 8.40 4.11 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 0.00 123 I 6.81 4.24 1.95 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.92 0.86 0.00 0.00 124 L 7.44 4.23 0.00 1.40 1.55 0.41 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 125 K 8.52 4.24 0.00 1.84 1.80 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.46 1.44 7.81 126 C 8.30 5.07 0.00 2.87 2.76 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 0.00 0.00 0.00 127 S 9.14 4.32 0.00 4.09 4.15 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 0.00 128 S 7.36 5.04 0.00 4.02 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 0.00 129 K 8.41 4.23 0.00 1.77 1.80 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.48 7.81 130 V 8.51 4.06 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 0.93 0.00 0.00 0.93 0.00 0.00 131 T 8.76 4.95 4.31 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 1.32 0.00 0.00 132 Y 7.77 5.39 0.00 3.29 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 0.00 133 E 9.47 4.92 0.00 2.07 2.13 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 2.31 2.39 0.00 134 I 8.45 5.04 1.91 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 1.42 0.79 0.63 0.00 0.00 135 V 9.01 4.46 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 1.13 0.00 0.00 1.01 0.00 0.00 136 Y 8.63 5.42 0.00 3.05 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 0.00 137 E 9.86 4.87 0.00 1.93 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 2.27 2.31 0.00 138 N 8.72 4.64 0.00 2.73 2.57 0.00 0.00 6.57 7.56 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 * Residues marked with a * may have inaccurate shift predictions.