NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.5252 8.0333 117.3526 63.1049 70.2964 173.5630 3 L 4.1561 8.6536 125.4846 53.7293 42.4092 174.1523 4 H 4.7851 8.4801 120.3384 54.7585 33.3243 175.0437 5 K 4.3778 8.5221 122.6567 55.7348 31.6015 177.9855 6 E 4.8296 8.1218 115.5556 56.9465 30.9434 176.1232 7 R 4.9884 8.0184 113.1351 55.1817 30.5157 176.7674 8 R 3.9664 7.9110 118.9022 56.5432 28.9190 176.2368 9 I 3.1494 8.2049 124.5815 63.8030 38.0076 177.4896 10 G 3.4397 7.7771 105.7788 47.8229 0.0000 175.4356 11 R 3.8498 7.8355 121.4535 58.9327 30.1402 178.4617 12 L 3.8751 8.0645 119.2330 57.7459 41.4484 179.5937 13 S 4.0464 8.0148 114.3349 61.1446 62.5407 176.8536 14 V 3.6309 7.4025 120.9033 65.9263 31.5021 177.7901 15 L 4.0495 7.5243 117.0471 57.4795 41.2874 179.2556 16 L 4.0218 7.7158 120.0023 58.1035 41.9955 178.7311 17 L 4.0665 7.4803 118.5731 56.7058 42.0137 176.8355 18 L 4.4828 7.2954 119.9075 54.3728 42.4491 174.8295 19 N 4.9759 8.0462 115.5238 52.4383 42.7570 174.3193 20 E 4.7781 8.4127 115.2635 54.4207 30.8349 175.0536 21 A 4.7439 7.2453 135.0000 52.5082 18.4258 180.6651 *26 Q 4.2747 8.3688 118.8156 57.1469 29.2970 174.8726 27 V 3.6694 8.6005 111.5086 68.5193 31.3456 179.0440 28 E 4.0736 8.2331 119.8363 60.2000 29.3814 179.6219 29 E 4.0870 8.1271 116.8032 60.8006 30.0118 180.7740 30 L 4.5713 7.8615 119.3438 58.6593 42.1434 178.8490 31 E 4.6185 8.7410 120.6449 58.8742 29.4392 179.3986 32 R 4.2794 7.8759 119.2899 59.0429 31.1174 181.4667 33 D 4.9209 7.9344 116.8558 54.0551 40.7932 176.7815 34 G 3.7260 7.7509 103.6268 45.6330 0.0000 171.5149 35 W 5.2528 7.6165 123.3845 56.1870 30.7848 176.2874 36 K 4.4957 9.2260 129.3922 54.6677 32.3144 172.7190 37 V 4.9686 8.5132 125.0344 60.3671 34.6488 174.2166 38 C 4.9284 8.7067 125.3537 57.8175 35.2171 172.5592 39 L 5.1045 8.4871 124.3662 53.2135 44.7990 175.8044 40 G 3.0401 7.8664 107.4359 44.8187 0.0000 172.2309 41 K 5.1445 8.1656 119.7090 54.4364 35.6790 176.2168 42 V 4.4845 9.0439 124.9961 59.6854 34.5826 174.9047 43 G 4.5028 8.8149 111.1024 45.0735 0.0000 171.3704 44 S 4.8115 8.4279 119.8708 57.0158 66.8114 173.2050 45 M 4.7606 8.7456 117.9144 55.0574 33.5028 174.2877 46 D 5.1345 8.2684 117.5995 52.5124 44.4787 176.7133 47 A 4.0726 8.6886 125.6291 55.2800 18.3661 179.4342 48 H 4.2751 8.3595 113.0086 58.2353 28.6122 177.4771 49 K 3.9502 7.8513 120.8126 58.4767 32.1839 179.0349 50 V 3.5621 7.3212 117.9272 65.9429 31.4322 178.2076 51 I 3.6015 8.1282 119.8487 64.2096 36.9302 178.3261 52 A 3.9946 7.8049 121.6251 54.9397 18.1511 179.5877 53 A 3.9839 7.9803 119.3963 55.3519 18.4645 179.9765 54 I 3.0093 7.2093 118.0075 64.1075 36.9793 178.2622 55 E 3.9195 8.0421 120.1411 59.5968 29.5218 178.9876 56 T 3.8580 8.0065 115.4288 66.7309 68.5538 176.5246 57 A 4.2176 8.2837 122.6587 55.3379 18.4272 179.8139 58 S 4.2654 8.3915 113.6570 61.3642 62.7583 176.9465 59 K 4.1898 8.4390 123.4632 60.3023 31.9069 179.0953 60 K 4.0577 8.7324 124.7305 58.3090 31.8882 180.2632 61 S 4.5401 7.9198 112.7777 58.1581 64.0465 176.7576 62 G 3.9727 8.5188 109.2301 46.0475 0.0000 175.4168 63 V 3.7893 8.9184 123.2009 64.8121 31.6882 176.2106 64 I 4.6529 7.4447 110.6301 58.3329 39.9004 175.0537 65 Q 4.0522 8.4964 120.8339 56.5068 28.5938 177.6354 66 S 4.1226 8.8916 121.5073 60.2725 63.3512 174.6098 67 E 4.6325 7.6941 116.3246 54.9039 32.4724 182.2428 68 G 4.1094 8.8295 106.9297 45.8544 0.0000 173.2811 69 Y 4.6641 8.5232 117.5744 60.5657 39.4264 177.4607 70 R 3.6220 7.7988 121.0518 60.1935 30.5259 178.3605 71 E 4.0092 8.0846 117.7100 61.0607 29.9021 181.0303 72 S 4.3425 8.0087 113.1769 61.4262 62.3953 175.5873 73 H 3.9567 8.6930 121.4079 58.9577 29.0695 177.1611 74 A 3.9423 7.8297 122.2798 54.8780 18.1733 179.4215 75 L 3.9304 7.7475 119.1950 58.1535 42.0923 178.4007 76 Y 3.9285 7.9596 119.5215 61.2567 38.9538 178.0482 77 H 4.0877 8.1129 116.5522 58.5816 28.5856 177.7277 78 A 4.0806 7.7830 122.3588 55.1440 18.1242 179.8697 79 T 3.7766 7.8078 114.5257 66.8695 68.3280 176.9262 80 M 3.8470 7.6145 119.7095 58.5323 31.7519 178.4295 81 E 4.1931 8.1214 117.9910 59.2761 29.5697 179.3048 82 A 4.1123 7.7571 121.0669 54.9668 18.5184 179.4109 83 L 4.0605 8.0712 116.7489 57.0946 41.4958 179.4165 84 H 4.2157 7.9406 116.2607 58.9446 28.5571 177.9013 85 G 3.6731 8.1200 105.4400 47.5703 0.0000 175.5364 86 V 4.3378 7.8839 120.8969 65.6350 32.0611 177.4705 87 T 4.1594 8.4868 109.1857 61.2244 70.2828 174.2908 88 R 3.8892 9.3044 119.8558 55.8686 27.3464 173.4822 89 G 3.7347 7.2183 110.2928 44.5689 0.0000 172.0028 90 E 4.5178 7.6732 122.2099 53.7954 31.8925 177.4507 91 M 4.4375 8.3109 126.8910 54.1180 30.7310 175.4211 92 L 4.8479 7.2748 118.4611 52.9860 46.3360 174.8865 93 L 4.5081 7.9221 118.2420 55.6209 45.0738 178.8942 94 G 3.6309 7.9336 109.2155 48.3125 0.0000 175.4602 95 S 4.2728 8.1045 116.0108 60.4096 62.8207 175.4934 96 L 4.5512 7.5036 119.3855 53.1240 43.2021 176.1023 97 L 3.6384 7.8443 118.5194 55.7228 40.6917 173.7011 98 R 4.9418 8.2251 113.2768 55.2345 33.4694 175.4925 99 T 4.7790 9.3104 114.1209 60.6130 71.6290 172.6821 100 V 4.7801 8.5588 117.6519 59.5568 35.6692 175.3248 101 G 4.1453 9.0524 111.4531 44.2288 0.0000 170.8269 102 L 5.2192 8.8415 126.4983 52.8966 44.7163 175.5217 103 R 5.1628 9.5882 122.8104 54.6070 32.6844 175.3571 104 F 6.1050 8.9045 117.1439 53.9771 41.6236 173.4911 105 A 5.2862 8.7632 121.8929 50.2335 22.6309 175.0201 106 V 4.8665 8.6723 120.6219 61.3332 34.7714 174.0829 107 L 5.1161 8.5400 128.0527 53.0574 44.2296 175.6992 108 R 5.2880 10.3472 123.0583 53.9205 33.7278 175.5121 109 G 4.6331 7.9362 112.3565 44.3951 0.0000 170.5738 110 N 5.3052 8.0598 119.1830 51.8380 39.0799 172.7873 111 P 4.7705 0.0000 0.0000 63.3160 32.2745 175.0010 112 Y 4.8239 8.3698 119.6686 56.8279 40.1285 176.4285 113 E 4.1792 8.5759 117.7736 59.0803 30.0569 178.7979 114 S 4.3901 8.0288 116.6879 58.1954 63.2387 175.2602 115 E 4.0824 8.8824 124.3134 58.7842 29.5421 178.8807 116 A 3.9411 7.9225 120.7052 54.5245 18.7676 178.4958 117 E 4.0006 7.9527 115.3764 57.4701 29.6688 178.4129 118 G 3.9679 7.5684 106.9139 44.3147 0.0000 172.3721 119 D 4.9162 8.3381 117.5643 54.1819 42.2724 176.0437 120 W 5.0424 9.9009 121.5526 54.8923 33.6448 174.0384 121 I 5.1380 9.4127 121.9083 59.2428 40.7832 174.0105 122 A 5.1369 8.9779 130.5689 50.3048 21.7558 174.8448 123 V 4.5965 8.7797 123.6235 62.1173 33.3180 174.8251 124 S 5.3954 9.2318 124.7480 56.8528 65.8731 173.3129 125 L 5.2843 9.0224 123.0632 53.2944 44.8245 174.9987 126 Y 5.0057 9.5274 124.5733 52.6845 42.8091 175.5632 127 G 3.8037 6.1837 112.8974 45.9714 0.0000 173.5969 128 T 4.8572 8.3800 115.1597 59.3107 71.5238 172.7625 129 I 4.8922 8.7616 123.3603 58.7106 41.4130 175.3056 130 G 4.0852 7.8236 112.3345 45.9658 0.0000 172.1862 131 A 4.3563 7.5252 122.1488 51.4628 18.8280 177.4267 132 P 4.1244 0.0000 0.0000 64.7313 31.5323 177.2644 133 I 4.0692 7.0394 121.2069 61.1909 37.8229 176.7411 134 K 4.1717 8.5756 122.7600 56.5229 31.8057 177.3186 135 G 4.0554 7.9102 104.4861 45.4750 0.0000 174.1359 136 L 4.5720 7.4778 121.8033 52.7418 40.5050 174.9435 137 E 5.2355 7.9255 117.9932 55.2782 32.6013 174.3733 138 H 5.1315 8.6204 116.3092 53.3491 32.3653 172.7495 139 E 4.9624 8.7507 118.0385 56.7526 30.1663 176.4179 140 T 4.8466 7.9380 114.8545 60.8087 71.2395 172.3145 141 F 5.6481 8.0057 124.2032 54.7216 43.7927 174.6817 142 G 4.5708 8.1444 100.7545 46.5779 0.0000 172.5605 143 V 4.9562 8.8651 127.1448 60.6621 33.8663 174.8555 144 G 4.2894 9.1069 115.0880 44.4110 0.0000 171.3081 145 I 5.2800 8.2951 124.5240 59.5352 39.9063 174.5931 146 N 5.3725 9.3344 125.1204 51.7542 42.8531 172.9371 147 H 3.5506 8.3489 119.2497 54.9301 29.6879 174.9380 148 I 3.9444 7.6703 120.6264 61.1046 37.4637 175.0668 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 2 T 8.03 4.53 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 1.21 0.00 0.00 3 L 8.65 4.16 0.00 1.56 1.38 0.74 -0.19 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 4 H 8.48 4.79 0.00 3.11 3.11 0.00 5.67 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.52 4.38 0.00 1.82 1.69 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.03 7.81 6 E 8.12 4.83 0.00 1.92 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 2.22 2.34 0.00 7 R 8.02 4.99 0.00 2.18 2.10 0.00 3.07 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 8 R 7.91 3.97 0.00 1.81 1.85 0.00 3.08 0.00 0.00 3.20 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.90 0.00 9 I 8.20 3.15 1.76 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.96 0.86 0.00 0.00 10 G 7.78 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 0.00 0.00 0.00 11 R 7.84 3.85 0.00 1.81 2.03 0.00 3.13 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 12 L 8.06 3.88 0.00 1.30 1.37 0.79 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.01 4.05 0.00 3.99 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 14 V 7.40 3.63 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 0.89 0.00 0.00 0.97 0.00 0.00 15 L 7.52 4.05 0.00 1.69 1.68 0.91 0.94 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 16 L 7.72 4.02 0.00 1.73 1.84 0.90 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.48 4.07 0.00 1.80 1.83 0.91 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.30 4.48 0.00 1.59 1.52 0.71 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.05 4.98 0.00 2.81 2.59 0.00 0.00 6.88 7.65 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 20 E 8.41 4.78 0.00 1.99 1.71 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 2.11 1.83 0.00 21 A 7.25 4.74 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.37 4.27 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.68 6.71 0.00 0.00 0.00 0.00 0.00 2.26 1.93 0.00 27 V 8.60 3.67 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 1.10 0.00 0.00 0.93 0.00 0.00 28 E 8.23 4.07 0.00 2.04 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 2.41 2.33 0.00 29 E 8.13 4.09 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 2.23 1.94 0.00 30 L 7.86 4.57 0.00 2.07 1.93 0.87 1.16 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 31 E 8.74 4.62 0.00 2.20 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 2.51 2.33 0.00 32 R 7.88 4.28 0.00 1.94 1.83 0.00 3.20 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 33 D 7.93 4.92 0.00 2.74 2.43 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 34 G 7.75 3.73 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 0.00 35 W 7.62 5.25 0.00 3.39 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 36 K 9.23 4.50 0.00 1.45 1.70 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.35 1.25 7.81 37 V 8.51 4.97 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 0.95 0.00 0.00 1.10 0.00 0.00 38 C 8.71 4.93 0.00 3.01 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 39 L 8.49 5.10 0.00 1.44 1.37 0.84 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.87 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 0.00 0.00 0.00 41 K 8.17 5.14 0.00 1.50 1.64 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.71 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.25 1.30 7.81 42 V 9.04 4.48 2.31 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 0.90 0.00 0.00 0.97 0.00 0.00 43 G 8.81 4.50 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 0.00 0.00 0.00 44 S 8.43 4.81 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 45 M 8.75 4.76 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 46 D 8.27 5.13 0.00 2.79 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 47 A 8.69 4.07 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 48 H 8.36 4.28 0.00 3.40 3.57 0.00 5.45 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.85 3.95 0.00 1.92 1.83 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.13 7.81 50 V 7.32 3.56 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 0.94 0.00 0.00 0.99 0.00 0.00 51 I 8.13 3.60 1.89 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 1.27 0.41 0.95 0.00 0.00 52 A 7.80 3.99 1.34 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 0.00 0.00 0.00 53 A 7.98 3.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.21 3.01 1.52 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 -0.36 0.68 0.00 0.00 55 E 8.04 3.92 0.00 2.18 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 0.00 2.34 2.40 0.00 56 T 8.01 3.86 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 1.25 0.00 0.00 57 A 8.28 4.22 1.67 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 58 S 8.39 4.27 0.00 4.04 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 59 K 8.44 4.19 0.00 1.74 1.89 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.68 7.81 60 K 8.73 4.06 0.00 1.80 1.57 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.39 1.32 7.81 61 S 7.92 4.54 0.00 4.06 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 62 G 8.52 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 0.00 0.00 0.00 63 V 8.92 3.79 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 0.88 0.00 0.00 1.00 0.00 0.00 64 I 7.44 4.65 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 1.36 0.88 0.94 0.00 0.00 65 Q 8.50 4.05 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 7.01 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 66 S 8.89 4.12 0.00 3.88 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 67 E 7.69 4.63 0.00 1.79 1.67 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 2.14 2.08 0.00 68 G 8.83 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 69 Y 8.52 4.66 0.00 2.96 2.94 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 R 7.80 3.62 0.00 1.89 1.85 0.00 3.20 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 71 E 8.08 4.01 0.00 2.01 1.94 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 2.31 1.93 0.00 72 S 8.01 4.34 0.00 3.95 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 0.00 73 H 8.69 3.96 0.00 2.12 3.08 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.83 3.94 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 75 L 7.75 3.93 0.00 1.74 1.85 0.92 0.79 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 76 Y 7.96 3.93 0.00 3.18 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 77 H 8.11 4.09 0.00 3.13 3.33 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 7.78 4.08 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.81 3.78 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 1.02 0.00 0.00 80 M 7.61 3.85 0.00 1.88 2.13 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.90 0.00 81 E 8.12 4.19 0.00 2.22 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 0.00 2.36 2.51 0.00 82 A 7.76 4.11 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.07 4.06 0.00 1.76 1.65 0.81 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 84 H 7.94 4.22 0.00 3.55 3.36 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.12 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 86 V 7.88 4.34 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 0.92 0.00 0.00 1.01 0.00 0.00 87 T 8.49 4.16 4.41 0.00 0.00 0.00 0.00 0.00 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 88 R 9.30 3.89 0.00 1.94 2.02 0.00 3.19 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.87 0.00 89 G 7.22 3.73 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 0.00 90 E 7.67 4.52 0.00 1.93 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 2.21 2.20 0.00 91 M 8.31 4.44 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 92 L 7.27 4.85 0.00 1.60 1.48 0.92 0.99 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 93 L 7.92 4.51 0.00 1.79 1.63 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 94 G 7.93 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 0.00 0.00 0.00 0.00 95 S 8.10 4.27 0.00 3.84 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 96 L 7.50 4.55 0.00 1.70 1.64 0.92 0.96 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 97 L 7.84 3.64 0.00 1.74 1.66 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.23 4.94 0.00 1.84 1.80 0.00 3.04 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.55 0.00 99 T 9.31 4.78 4.22 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 1.22 0.00 0.00 100 V 8.56 4.78 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 0.88 0.00 0.00 0.96 0.00 0.00 101 G 9.05 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 0.00 0.00 0.00 102 L 8.84 5.22 0.00 1.79 1.61 0.91 0.67 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 0.00 103 R 9.59 5.16 0.00 1.80 1.84 0.00 3.08 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 104 F 8.90 6.10 0.00 3.07 3.09 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 0.00 105 A 8.76 5.29 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 0.00 106 V 8.67 4.87 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 1.03 0.00 0.00 1.07 0.00 0.00 107 L 8.54 5.12 0.00 1.51 1.26 0.79 -0.50 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 0.00 108 R 10.35 5.29 0.00 1.96 1.86 0.00 3.52 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 109 G 7.94 4.63 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 0.00 110 N 8.06 5.31 0.00 2.80 2.77 0.00 0.00 6.87 7.69 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 0.00 111 P 0.00 4.77 0.00 1.74 2.37 0.00 3.96 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.97 0.00 112 Y 8.37 4.82 0.00 3.02 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 0.00 113 E 8.58 4.18 0.00 1.94 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 2.26 2.15 0.00 114 S 8.03 4.39 0.00 4.04 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 0.00 115 E 8.88 4.08 0.00 2.01 2.02 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 2.41 2.26 0.00 116 A 7.92 3.94 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 0.00 117 E 7.95 4.00 0.00 2.23 2.33 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 1.80 2.09 0.00 118 G 7.57 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 0.00 0.00 0.00 119 D 8.34 4.92 0.00 2.71 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 0.00 120 W 9.90 5.04 0.00 3.34 3.26 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 0.00 121 I 9.41 5.14 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.73 1.03 0.00 0.00 122 A 8.98 5.14 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 0.00 123 V 8.78 4.60 2.23 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 0.92 0.00 0.00 0.93 0.00 0.00 124 S 9.23 5.40 0.00 3.82 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 0.00 125 L 9.02 5.28 0.00 1.59 1.54 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 9.53 5.01 0.00 2.66 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 0.00 127 G 6.18 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 0.00 128 T 8.38 4.86 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 1.12 0.00 0.00 129 I 8.76 4.89 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.56 0.87 0.00 0.00 130 G 7.82 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 0.00 0.00 0.00 0.00 131 A 7.53 4.36 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 0.00 132 P 0.00 4.12 0.00 2.04 2.12 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 133 I 7.04 4.07 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 1.15 0.46 0.90 0.00 0.00 134 K 8.58 4.17 0.00 1.77 1.71 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.00 7.81 135 G 7.91 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 0.00 136 L 7.48 4.57 0.00 1.60 1.61 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 137 E 7.93 5.24 0.00 1.97 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 2.15 2.25 0.00 138 H 8.62 5.13 0.00 3.24 3.43 0.00 5.47 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 0.00 139 E 8.75 4.96 0.00 2.00 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 0.00 2.36 2.17 0.00 140 T 7.94 4.85 4.22 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 1.04 0.00 0.00 141 F 8.01 5.65 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 0.00 142 G 8.14 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 V 8.87 4.96 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 0.85 0.00 0.00 1.01 0.00 0.00 144 G 9.11 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 0.00 145 I 8.30 5.28 1.98 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 1.17 0.77 1.16 0.00 0.00 146 N 9.33 5.37 0.00 2.83 2.58 0.00 0.00 6.54 7.44 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 0.00 147 H 8.35 3.55 0.00 2.04 1.31 0.00 5.56 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.67 3.94 1.84 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 1.06 0.85 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.