NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 S 4.4668 8.1927 115.4295 58.3204 64.7742 171.7543 21 D 4.7761 8.1754 118.7220 52.5260 42.3981 175.8915 22 A 4.1874 9.3132 127.4632 55.3169 19.3473 179.4577 23 H 4.0596 9.4858 116.2380 58.8628 28.7326 178.0407 24 V 3.5816 7.7084 119.6609 65.9111 31.4128 177.8994 25 L 3.4331 7.6526 119.6110 57.8190 42.0410 178.5576 26 K 4.0770 8.4000 119.7149 59.7062 31.9811 178.9076 27 S 4.4847 8.0427 115.2489 61.4070 62.8288 176.7322 28 R 4.0318 7.9686 120.9342 59.2438 29.4727 179.0224 29 L 4.3438 7.9264 117.8781 57.4568 41.7970 178.7240 30 E 4.0238 8.0706 117.4970 57.7490 29.6964 177.3661 31 W 5.2072 8.6960 115.2868 55.8014 32.2972 176.5202 32 G 4.1623 8.2926 115.1866 46.2931 0.0000 173.5680 33 E 4.8303 8.7754 119.4057 54.0084 32.2952 170.2877 34 P 4.5298 0.0000 0.0000 63.7425 31.2582 176.2451 35 A 4.5948 8.1494 118.6951 52.1795 18.8588 177.2633 36 F 5.5972 7.3260 112.2739 57.0257 41.6566 173.9258 37 T 4.7839 9.2960 115.6561 61.9053 72.5601 172.9799 38 I 5.0709 8.4944 125.4503 59.6484 40.1244 174.2435 39 L 4.7252 9.3293 127.5970 52.9392 44.0841 175.1211 40 D 3.7386 8.6317 124.9322 52.6387 41.7195 175.7980 41 V 4.0334 8.3228 126.2438 61.8602 32.7906 176.4229 42 R 4.4216 7.9016 121.2312 55.2406 31.7145 175.6717 43 D 4.3495 8.5998 118.9312 54.6324 41.9093 176.7272 44 R 3.8999 8.8687 125.6988 60.0847 29.9304 178.9292 45 S 4.2197 8.2965 114.1463 61.7964 62.6652 176.6150 46 T 3.8908 7.7260 117.8067 66.6236 68.4599 175.5639 47 Y 4.2465 8.1211 121.4203 61.1539 38.7041 178.0777 48 N 4.4180 8.5006 117.0544 56.6379 38.4410 176.9456 49 D 4.0753 8.1255 118.9191 53.7631 41.0676 176.6963 50 G 4.6124 6.4475 117.5484 45.6217 0.0000 171.4192 51 H 5.1367 8.0098 120.2717 53.2966 33.7553 175.8290 52 I 3.5222 9.4881 124.6697 62.4387 35.0455 178.7529 *54 G 3.9224 9.2303 119.7625 45.6202 0.0000 175.4938 55 A 5.0429 8.1008 121.2048 51.0140 19.6751 176.6617 *57 A 3.3529 8.4768 116.1373 51.6093 20.1230 175.0289 *59 P 4.2941 0.0000 0.0000 62.1246 32.8469 177.7972 60 I 3.5739 8.3903 118.0040 64.2497 37.4058 177.8830 61 E 3.9746 8.2372 118.9129 58.6041 29.4586 177.2293 62 D 4.8270 8.5966 115.6771 53.0459 42.6377 177.0448 63 L 3.8275 7.7162 122.0730 58.6995 41.8994 179.4857 64 V 3.6607 7.6708 118.0794 64.7935 31.5736 177.8988 65 D 4.4130 8.1404 121.6032 57.9367 39.3603 179.3856 66 R 4.0491 8.2624 120.9262 60.7650 29.2815 180.5781 67 A 4.2529 8.2066 120.5730 55.2028 18.5272 179.9181 68 S 3.8765 8.2919 110.8689 60.8969 63.0883 175.2065 69 S 4.7186 7.5752 112.7640 58.1157 63.3378 174.3684 70 S 4.5591 7.6158 114.8266 57.8657 64.2477 173.3643 71 L 4.7947 8.5939 121.9191 52.8992 44.6679 176.6249 72 E 4.2127 8.5872 118.2087 55.5683 30.3313 177.8233 73 K 3.7329 8.6076 123.2628 57.2953 32.1535 178.0632 74 S 4.7402 7.7858 112.2594 57.7285 63.5422 174.0770 75 R 4.1179 8.0128 122.4485 56.1630 30.5208 175.5866 76 D 4.7039 8.2903 125.9454 54.5843 41.9773 175.3388 77 I 5.0604 8.7694 124.3829 59.6204 41.1759 173.9306 78 Y 5.1330 9.2216 124.4595 56.1808 40.5716 174.8749 79 V 5.1044 9.0087 124.3204 61.3076 34.9889 173.8065 80 Y 5.1449 8.7527 124.1313 55.8662 41.6112 174.6763 81 G 3.8736 8.7447 110.1980 44.3081 0.0000 171.4166 82 A 4.1513 9.4537 122.4337 54.7881 18.6839 177.9107 83 G 4.2357 7.5386 101.8985 43.5425 0.0000 172.1024 84 D 4.3420 8.9313 117.7918 57.5817 40.8209 178.4057 85 E 3.9151 8.1946 119.0345 59.5715 29.6536 178.5725 86 Q 4.0000 8.0335 118.9267 59.2067 29.0890 178.0288 87 T 3.8793 7.9477 117.2014 66.7353 68.6368 176.8603 88 S 4.2777 8.4475 116.0847 61.0180 63.0088 176.2386 89 Q 3.9368 7.9661 123.4412 58.9186 28.7846 177.8596 90 A 3.9044 8.0526 121.8567 55.0475 18.4762 179.5549 91 V 3.4902 7.9474 116.9986 66.5201 31.5132 178.0346 92 N 4.3831 8.2434 115.9028 56.1170 38.3724 177.4938 93 L 3.9849 7.8348 120.4564 57.8179 41.7971 179.4563 94 L 4.1079 7.8734 118.8381 57.9213 41.4567 179.8486 95 R 4.1892 8.1742 118.1563 59.4073 29.8577 179.3555 96 S 4.1432 8.3415 112.6103 60.7788 62.9614 175.2985 97 A 4.4483 7.6228 122.3465 51.9907 18.7057 177.8970 98 G 3.7745 8.2349 107.3308 45.1084 0.0000 174.1953 99 F 4.2418 7.9513 119.0261 57.3756 38.6588 175.4662 100 E 4.1264 9.0285 126.9721 58.8188 30.2289 177.0377 101 H 4.9316 7.9719 114.8013 54.1180 28.6371 172.6952 102 V 4.6480 7.6021 117.7847 61.5169 33.6073 175.9494 103 S 4.8073 8.8912 122.9535 56.6984 67.0068 173.2570 104 E 4.5626 8.8911 122.6996 56.3029 30.6408 177.0009 105 L 4.5702 9.5172 129.6032 53.3531 41.5258 175.1322 106 K 4.0480 8.8079 124.3320 55.9725 32.4224 177.3236 107 G 4.0505 8.9409 112.2411 43.1702 0.0000 174.6142 108 G 3.8439 8.1095 109.1258 46.0220 0.0000 174.5502 109 L 3.7599 8.8461 118.7728 58.3704 41.9503 179.5242 110 A 3.9937 8.0602 119.5980 55.2517 17.6008 179.1894 111 A 3.9564 8.0417 119.2830 55.1172 18.3780 179.6699 112 W 4.3071 8.2908 126.8423 60.4295 30.7645 178.5231 113 K 3.7689 8.2985 118.2516 59.4403 31.4223 179.0779 114 A 4.3074 7.9627 120.2138 54.1668 18.0953 178.1063 115 I 4.1361 6.9242 109.6179 60.5798 37.7322 176.5547 116 G 3.7001 8.5142 108.2786 45.5308 0.0000 174.4334 117 G 2.0000 7.0456 109.5386 43.8839 0.0000 172.1469 118 P 4.4774 0.0000 0.0000 62.8110 32.3692 175.8152 119 T 4.8359 8.2636 117.7527 62.2563 71.1231 173.4378 120 E 4.5889 8.9336 123.6458 54.5058 32.7830 174.6355 121 G 4.4282 8.4885 112.5167 44.5300 0.0000 171.9933 122 I 4.3603 9.1315 124.2819 60.2740 38.5358 176.8428 123 I 4.5032 7.5417 123.0159 60.4525 38.4195 174.3517 *133 D 4.5884 7.9708 122.5582 54.7525 43.6968 177.1065 *134 Y 4.2425 7.7552 120.3227 61.5220 37.1035 181.5847 135 N 4.7139 8.1060 121.4986 56.2909 38.5181 178.0528 136 V 3.6379 7.7968 119.1652 66.4325 31.7212 180.0815 137 V 4.0158 7.7117 111.5127 64.2233 31.6377 178.4881 138 S 4.4353 7.9831 113.5760 61.2329 62.8328 176.5501 139 R 3.9557 8.2413 118.5795 57.4160 29.3381 177.7225 *141 Q 4.3166 7.9795 118.1178 55.7989 30.9924 177.3112 142 N 4.2815 8.3344 115.3047 56.6710 38.2480 177.2558 143 H 4.2239 7.8546 116.1407 58.8062 28.9245 177.6060 144 L 4.1829 7.8971 120.4407 57.6584 41.5211 179.2074 145 E 3.9808 8.4622 118.8822 59.4813 29.2492 179.0008 146 N 4.5153 8.2038 114.7668 55.1667 38.6156 176.0556 147 Q 4.3871 7.3128 119.5954 54.9887 29.9265 175.5669 148 K 4.1732 7.6452 120.6400 55.9822 34.0640 176.8742 149 K 3.8350 8.7459 127.4888 60.0377 32.0222 178.7188 150 E 3.9731 8.0849 117.0021 59.4213 29.1972 178.9907 151 V 3.9697 7.6290 120.0183 65.1773 31.6588 177.8024 152 L 4.1548 8.1412 118.6526 57.2373 41.1641 179.3278 153 E 3.9775 7.5820 118.4556 59.6460 29.6046 178.4604 154 H 4.2433 8.0749 116.7035 58.9847 29.8691 176.1181 155 H 4.7379 7.7085 118.3874 58.0487 29.2416 175.9374 *156 H 4.6011 8.0659 124.6693 56.8250 28.0980 178.7292 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 20 S 8.19 4.47 0.00 4.13 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 0.00 21 D 8.18 4.78 0.00 2.90 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 22 A 9.31 4.19 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 23 H 9.49 4.06 0.00 3.30 3.36 0.00 5.82 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.71 3.58 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 1.02 0.00 0.00 0.97 0.00 0.00 25 L 7.65 3.43 0.00 1.11 1.72 0.26 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.40 4.08 0.00 1.72 1.90 0.00 1.21 0.00 0.00 1.44 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.27 7.81 27 S 8.04 4.48 0.00 4.16 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 28 R 7.97 4.03 0.00 1.37 1.46 0.00 3.29 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.37 0.00 29 L 7.93 4.34 0.00 1.80 1.87 1.22 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.07 4.02 0.00 1.99 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 2.15 2.39 0.00 31 W 8.70 5.21 0.00 3.32 3.23 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 32 G 8.29 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 33 E 8.78 4.83 0.00 1.98 1.72 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 2.14 1.87 0.00 34 P 0.00 4.53 0.00 1.97 1.95 0.00 3.67 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 1.96 2.06 0.00 35 A 8.15 4.59 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.33 5.60 0.00 3.25 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 37 T 9.30 4.78 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 1.21 0.00 0.00 38 I 8.49 5.07 1.96 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 1.51 1.80 1.00 0.00 0.00 39 L 9.33 4.73 0.00 1.51 1.45 0.89 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.63 3.74 0.00 2.65 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 41 V 8.32 4.03 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 0.65 0.00 0.00 0.85 0.00 0.00 42 R 7.90 4.42 0.00 1.81 1.94 0.00 3.09 0.00 0.00 3.56 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.45 0.00 43 D 8.60 4.35 0.00 2.75 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.87 3.90 0.00 1.87 1.92 0.00 3.14 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 1.69 1.69 0.00 45 S 8.30 4.22 0.00 4.13 3.92 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 46 T 7.73 3.89 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 1.26 0.00 0.00 47 Y 8.12 4.25 0.00 3.05 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 48 N 8.50 4.42 0.00 3.04 2.94 0.00 0.00 7.14 7.49 0.00 0.00 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 D 8.13 4.08 0.00 2.83 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 50 G 6.45 4.61 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 0.00 0.00 0.00 51 H 8.01 5.14 0.00 3.15 3.00 0.00 5.27 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 9.49 3.52 1.43 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 -0.22 -0.49 0.00 0.00 *54 G 9.23 3.92 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 0.00 0.00 0.00 55 A 8.10 5.04 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.48 3.35 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 0.00 *59 P 0.00 4.29 0.00 2.22 1.96 0.00 3.52 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.11 0.00 60 I 8.39 3.57 1.84 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 1.26 0.70 0.87 0.00 0.00 61 E 8.24 3.97 0.00 1.95 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 0.00 2.29 2.32 0.00 62 D 8.60 4.83 0.00 2.55 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.72 3.83 0.00 1.69 1.77 0.77 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 64 V 7.67 3.66 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 0.84 0.00 0.00 0.98 0.00 0.00 65 D 8.14 4.41 0.00 2.84 2.75 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 66 R 8.26 4.05 0.00 1.82 1.93 0.00 3.26 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 67 A 8.21 4.25 1.15 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 68 S 8.29 3.88 0.00 4.03 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 69 S 7.58 4.72 0.00 4.18 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 70 S 7.62 4.56 0.00 4.01 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 71 L 8.59 4.79 0.00 1.87 1.71 0.91 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.59 4.21 0.00 1.89 1.84 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 2.31 1.90 0.00 73 K 8.61 3.73 0.00 1.54 1.69 0.00 1.28 0.00 0.00 1.58 0.00 0.00 2.57 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.35 0.21 7.81 74 S 7.79 4.74 0.00 3.99 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 75 R 8.01 4.12 0.00 1.88 2.11 0.00 3.36 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 76 D 8.29 4.70 0.00 3.19 2.57 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 77 I 8.77 5.06 1.78 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.95 0.80 0.00 0.00 78 Y 9.22 5.13 0.00 2.89 2.84 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 79 V 9.01 5.10 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 0.96 0.00 0.00 0.88 0.00 0.00 80 Y 8.75 5.14 0.00 3.10 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 81 G 8.74 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 82 A 9.45 4.15 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 83 G 7.54 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 84 D 8.93 4.34 0.00 2.72 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 85 E 8.19 3.92 0.00 2.04 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 2.39 2.38 0.00 86 Q 8.03 4.00 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 87 T 7.95 3.88 4.45 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 0.00 0.00 0.00 1.31 0.00 0.00 88 S 8.45 4.28 0.00 4.04 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 89 Q 7.97 3.94 0.00 2.33 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 90 A 8.05 3.90 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 91 V 7.95 3.49 2.22 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 1.03 0.00 0.00 0.99 0.00 0.00 92 N 8.24 4.38 0.00 2.92 2.86 0.00 0.00 7.11 6.02 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 93 L 7.83 3.98 0.00 1.87 1.71 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.87 4.11 0.00 1.80 1.63 0.64 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.17 4.19 0.00 2.03 2.00 0.00 3.14 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 96 S 8.34 4.14 0.00 4.01 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 97 A 7.62 4.45 1.53 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 0.00 0.00 0.00 0.00 0.00 98 G 8.23 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 99 F 7.95 4.24 0.00 3.12 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 0.00 100 E 9.03 4.13 0.00 2.07 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 2.32 2.45 0.00 101 H 7.97 4.93 0.00 3.23 3.22 0.00 5.79 0.00 0.00 0.00 0.00 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.60 4.65 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 0.73 0.00 0.00 1.02 0.00 0.00 103 S 8.89 4.81 0.00 3.74 3.68 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 0.00 104 E 8.89 4.56 0.00 1.91 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 0.00 2.33 2.34 0.00 105 L 9.52 4.57 0.00 1.90 1.63 0.87 0.49 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 0.00 106 K 8.81 4.05 0.00 1.80 1.62 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.40 1.29 7.81 107 G 8.94 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 0.00 108 G 8.11 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 0.00 109 L 8.85 3.76 0.00 1.85 1.76 1.05 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.06 3.99 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 0.00 111 A 8.04 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.29 4.31 0.00 3.28 3.17 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 0.00 0.00 0.00 0.00 113 K 8.30 3.77 0.00 2.00 1.80 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.71 7.81 114 A 7.96 4.31 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 0.00 115 I 6.92 4.14 1.68 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 1.02 0.33 0.79 0.00 0.00 116 G 8.51 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 0.00 117 G 7.05 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 0.00 0.00 0.00 0.00 0.00 0.00 118 P 0.00 4.48 0.00 2.26 2.07 0.00 3.83 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 2.23 2.06 0.00 119 T 8.26 4.84 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 1.19 0.00 0.00 120 E 8.93 4.59 0.00 1.89 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 2.12 2.21 0.00 121 G 8.49 4.43 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 0.00 122 I 9.13 4.36 2.07 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 1.32 0.54 0.95 0.00 0.00 123 I 7.54 4.50 1.88 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 0.40 0.92 0.00 0.00 *133 D 7.97 4.59 0.00 2.66 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 *134 Y 7.76 4.24 0.00 2.36 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 0.00 135 N 8.11 4.71 0.00 2.76 2.89 0.00 0.00 7.71 7.68 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 0.00 136 V 7.80 3.64 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 0.82 0.00 0.00 0.93 0.00 0.00 137 V 7.71 4.02 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 0.98 0.00 0.00 1.02 0.00 0.00 138 S 7.98 4.44 0.00 4.02 4.10 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 0.00 139 R 8.24 3.96 0.00 2.17 2.02 0.00 3.14 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 *141 Q 7.98 4.32 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 142 N 8.33 4.28 0.00 2.89 2.78 0.00 0.00 7.04 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 0.00 143 H 7.85 4.22 0.00 3.13 3.36 0.00 5.85 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.90 4.18 0.00 1.85 1.74 0.95 1.00 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 0.00 145 E 8.46 3.98 0.00 2.11 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 2.31 2.61 0.00 146 N 8.20 4.52 0.00 2.73 2.92 0.00 0.00 6.95 7.30 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 0.00 147 Q 7.31 4.39 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 148 K 7.65 4.17 0.00 2.08 1.64 0.00 1.92 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.43 7.81 149 K 8.75 3.84 0.00 1.88 1.80 0.00 1.66 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.58 7.81 150 E 8.08 3.97 0.00 2.20 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 0.00 2.34 2.29 0.00 151 V 7.63 3.97 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 1.39 0.00 0.00 0.93 0.00 0.00 152 L 8.14 4.15 0.00 1.96 1.72 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 153 E 7.58 3.98 0.00 2.06 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 2.35 2.46 0.00 154 H 8.07 4.24 0.00 3.11 3.50 0.00 5.93 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 H 7.71 4.74 0.00 3.31 3.29 0.00 5.72 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *156 H 8.07 4.60 0.00 3.02 2.82 0.00 7.23 0.00 0.00 0.00 0.00 6.98 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.