NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 Q 4.3895 8.2027 121.9960 55.7202 30.8379 173.6176 6 L 3.6331 8.7353 129.5035 54.8304 41.9012 174.6463 7 L 4.3010 8.8573 127.4751 57.1065 43.2214 176.3725 8 H 4.6955 7.2844 115.6636 55.2342 33.3920 172.4928 9 T 5.0208 8.1046 120.2808 61.7087 71.0837 173.0338 10 A 4.8298 9.0563 128.4752 50.3571 22.3117 174.5511 11 H 5.1799 8.7571 117.5333 54.1215 31.2445 174.0091 12 I 4.3522 8.7416 124.6513 58.4817 39.6998 173.2937 13 P 4.4689 0.0000 0.0000 62.5521 31.8535 176.6756 14 V 3.9780 8.4912 124.9485 62.7458 32.3319 175.6235 15 R 4.7623 9.1818 126.5055 54.0785 32.0481 177.3116 16 W 3.7866 8.9237 131.0682 60.5095 30.7235 177.5187 17 G 3.8476 8.2323 104.5770 47.2244 0.0000 174.7340 18 D 4.4672 7.9475 123.0701 53.8202 40.1134 175.4530 *20 D 4.2823 7.8392 119.4469 53.1376 40.5025 175.4989 21 S 4.1988 8.2508 112.0859 60.9326 63.0219 174.6448 22 Y 4.3131 7.7550 118.6658 59.1669 37.7819 176.5555 23 G 3.7863 8.5304 107.9611 46.1091 0.0000 172.3040 24 H 5.1189 7.7267 114.7312 52.9656 33.2687 173.2368 25 V 3.6408 8.7070 120.2270 63.2944 31.8608 175.4076 26 N 4.9693 9.1396 126.9125 53.1951 39.1340 175.6477 27 N 4.8039 9.1459 122.8450 56.7214 39.2705 177.4864 28 T 4.3178 8.1198 109.2240 64.7506 68.7314 176.5815 29 L 3.7211 7.8782 121.7935 57.6413 41.3843 178.9463 30 Y 3.5130 7.1286 115.6476 60.8393 37.5861 178.6435 31 F 4.1950 7.9324 118.4742 60.1111 38.9206 177.6078 32 Q 3.9799 7.7955 119.2295 59.2301 28.9796 177.2948 33 Y 4.4096 7.7793 117.8660 61.3273 37.8555 178.8758 34 L 4.0009 8.2148 119.8512 57.6573 41.6697 179.1096 35 E 3.9415 8.4934 119.4847 59.3330 29.5639 178.4111 36 E 3.9612 8.7356 119.5197 59.2569 29.6016 178.7073 37 A 4.0034 8.1925 120.7209 55.2018 18.4980 179.8065 38 R 3.6471 8.1218 116.7251 59.3035 30.0394 179.3614 39 V 3.7162 8.1462 118.1598 65.9833 31.5098 177.8364 40 A 3.9875 8.1625 120.4622 54.8565 18.0348 179.2680 41 W 4.0580 8.0715 126.8403 60.8163 30.7063 177.9418 42 F 4.1799 8.2966 117.9215 60.7562 38.2461 177.3541 43 E 3.9627 8.5924 119.3675 59.4891 29.2441 178.9875 44 T 3.9003 7.8916 108.7182 64.1519 68.7409 175.3541 45 L 4.4570 7.1933 119.4815 53.4671 41.8238 176.6566 46 G 3.8124 7.9173 106.7124 46.4875 0.0000 174.6413 47 I 4.0439 7.8500 121.8629 59.9550 36.4978 174.7047 48 D 4.9257 8.2723 125.5900 52.6228 42.6414 177.1165 49 L 4.4024 8.3729 122.9874 55.0161 41.6200 177.6846 50 E 4.3562 7.7548 118.6104 56.5554 28.8041 177.1496 51 G 3.9101 8.2850 103.7154 44.9708 0.0000 174.6276 52 A 4.1034 7.9805 121.3761 51.4022 19.2034 179.6043 53 A 4.3424 8.6660 123.5991 54.6065 18.8090 177.4080 54 E 4.9628 7.6593 112.0887 54.4279 33.8072 175.8354 55 G 3.9203 7.6064 108.0892 45.5278 0.0000 169.9024 56 P 3.6270 0.0000 0.0000 61.8924 32.1407 176.0388 57 V 4.3256 8.3735 122.3996 60.7328 34.6977 174.6040 58 V 3.9115 8.4148 127.8289 63.2339 31.2850 175.0252 59 L 4.4113 8.9985 131.0949 57.0920 43.1617 176.4946 60 Q 4.7120 7.8052 117.7827 54.8227 32.7196 173.3500 61 S 5.2227 8.6609 120.5699 56.6514 66.3936 173.0607 62 L 4.8866 9.1932 126.2139 53.5196 45.1379 174.6318 63 H 5.1557 8.8606 124.7629 54.9838 33.1503 172.0246 64 T 4.4238 8.6577 122.8231 62.1107 70.5271 173.1071 65 Y 4.3263 8.5827 124.5402 57.1166 38.3134 174.9529 66 L 4.6022 8.9015 124.8141 55.4912 44.2488 177.6405 67 K 4.4908 7.6088 115.8223 53.8196 36.0211 174.0334 68 P 4.7148 0.0000 0.0000 62.8071 32.5683 175.4265 69 V 4.6536 8.6289 120.8094 61.3352 34.0802 174.5054 70 V 4.7938 8.2394 126.0959 60.9673 34.0266 174.7384 71 H 4.3114 8.9974 127.4415 55.4396 30.4949 172.9533 72 P 4.0298 0.0000 0.0000 62.7598 32.2382 175.0465 73 A 4.4426 7.7123 119.4342 51.7077 22.8720 175.0752 74 T 4.7017 8.0049 115.5737 61.6053 71.5978 173.8510 75 V 4.0566 8.2912 127.5325 62.4306 33.2217 174.7739 76 V 4.6950 8.6763 127.7867 61.1896 33.7400 174.2189 77 V 4.6421 8.7452 128.8121 61.3848 33.5492 173.9828 78 E 4.7968 9.1916 128.7573 54.9111 31.4756 174.9664 79 L 5.0284 8.5719 125.3510 53.2406 43.9258 175.2456 80 Y 5.1052 9.1241 121.0875 55.7508 41.6155 174.9082 81 A 4.2250 8.8588 125.3401 52.1853 18.7046 177.4103 82 G 4.2844 8.6266 115.0243 45.5961 0.0000 173.0047 83 R 4.2796 8.6289 117.8364 56.1511 31.0630 175.4879 84 L 4.9737 8.6183 124.4648 53.5801 43.7965 175.9643 85 G 4.1858 8.8589 116.6311 43.7618 0.0000 173.0604 86 T 4.0255 8.4715 108.3512 64.3361 68.9196 175.4583 87 S 4.8583 7.9988 114.5993 57.4386 65.0519 173.5534 88 S 5.4025 8.1484 113.3665 57.8673 66.9281 172.2949 89 L 5.1065 9.2421 122.5076 54.0205 45.9854 174.3954 90 V 4.5636 8.9120 126.8598 62.0299 33.1262 174.3787 91 L 5.0101 9.0995 129.0528 53.2760 43.4648 175.6341 92 E 4.9369 9.0911 124.8471 55.8705 31.3164 175.4934 93 H 5.6834 9.1806 118.2384 54.0570 32.5631 172.4398 94 R 5.1161 9.0782 117.9178 54.5476 34.5851 174.0509 95 L 5.2308 8.8150 122.5977 53.6035 44.9663 175.5442 96 H 5.4037 9.0819 119.6868 54.6862 33.8290 171.9096 97 T 4.7997 8.0256 107.1434 59.9947 71.7325 174.9417 98 L 4.0400 8.4705 123.0060 58.0101 41.5105 179.0096 99 E 4.0839 8.2199 114.8472 58.1804 30.9128 176.1833 100 D 4.9038 7.7496 118.7660 52.1212 40.9715 174.1936 101 P 4.4233 0.0000 0.0000 64.9368 32.0852 177.8651 102 Q 4.3827 7.9618 115.8539 55.5182 29.7009 175.7702 103 G 3.7951 7.9605 107.8712 45.4896 0.0000 173.4728 104 T 4.6479 8.2784 120.3465 62.4633 68.9381 174.1744 105 Y 4.0187 9.5763 126.3771 60.2302 39.4325 175.8941 106 G 4.2409 7.9006 103.5272 45.7825 0.0000 172.1600 107 E 5.0039 7.5543 117.7085 54.7993 33.1745 175.2219 108 G 3.9726 7.6152 107.8181 46.5281 0.0000 171.1250 109 H 5.2973 7.9346 117.4188 54.9977 32.8711 172.8966 110 C 5.2846 9.2273 118.8610 57.8319 34.6943 172.6408 111 K 4.9321 9.1956 126.8820 55.5803 33.2237 175.8911 112 L 5.2953 9.2756 125.4824 53.0488 44.9891 175.9198 113 V 5.0746 8.4962 114.9782 59.4534 35.5968 174.7697 114 W 4.6573 9.7152 125.4335 56.0570 30.7594 175.6823 115 V 4.8594 8.3467 123.5047 61.0174 35.3579 174.0791 116 R 4.4031 9.0225 128.3755 56.3500 30.6481 176.7083 117 H 4.1428 9.2297 124.6094 59.3074 28.9002 177.6359 118 A 4.5085 7.9123 117.6007 52.5276 17.6968 177.3896 119 E 4.4505 7.9762 117.6906 55.5222 32.3958 174.6317 120 N 4.1597 8.0043 115.5080 54.0144 37.5912 173.6600 121 R 4.8157 7.1719 118.3547 54.6570 34.3185 175.0546 122 S 4.9944 8.8519 121.1712 58.8928 63.8167 173.1719 123 T 4.8484 8.8002 111.9268 59.2098 72.0179 171.7119 124 P 4.6693 0.0000 0.0000 61.9647 32.2966 176.7322 125 V 2.6215 7.8630 122.6980 62.2331 32.1061 174.4661 126 P 4.2249 0.0000 0.0000 62.5762 32.1418 176.9251 127 D 4.3331 8.6979 120.8137 57.6329 40.5963 179.3152 128 S 4.0684 7.9434 114.1003 61.6652 62.7350 176.6816 129 I 3.7958 7.4715 122.8519 63.9634 37.0157 178.2218 130 R 3.8792 7.7250 118.3203 59.4230 29.7190 178.9295 131 A 4.0366 8.4496 119.0715 54.9801 18.3941 179.3288 132 A 4.1420 8.0601 118.4463 55.7891 18.6582 179.5527 133 I 4.1318 8.2572 118.4574 63.7219 37.3305 176.3067 134 A 4.2283 8.6583 127.0837 52.4397 18.5179 177.0701 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 5 Q 8.20 4.39 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.05 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 6 L 8.74 3.63 0.00 1.73 1.52 0.27 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.86 4.30 0.00 0.94 0.83 0.33 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 8 H 7.28 4.70 0.00 2.88 2.88 0.00 5.61 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 9 T 8.10 5.02 4.12 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 0.00 0.00 0.00 1.20 0.00 0.00 10 A 9.06 4.83 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 11 H 8.76 5.18 0.00 2.96 3.15 0.00 5.66 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 12 I 8.74 4.35 1.44 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 1.14 0.97 0.70 0.00 0.00 13 P 0.00 4.47 0.00 1.91 1.96 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 14 V 8.49 3.98 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 0.88 0.00 0.00 0.78 0.00 0.00 15 R 9.18 4.76 0.00 2.16 1.91 0.00 3.25 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 16 W 8.92 3.79 0.00 2.95 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 17 G 8.23 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 18 D 7.95 4.47 0.00 2.90 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 *20 D 7.84 4.28 0.00 2.76 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 21 S 8.25 4.20 0.00 3.88 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.76 4.31 0.00 3.22 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 23 G 8.53 3.79 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 0.00 0.00 0.00 24 H 7.73 5.12 0.00 3.06 3.46 0.00 5.91 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 25 V 8.71 3.64 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 0.15 0.00 0.00 1.05 0.00 0.00 26 N 9.14 4.97 0.00 2.71 2.66 0.00 0.00 7.08 6.74 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 27 N 9.15 4.80 0.00 2.79 2.80 0.00 0.00 6.86 7.05 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 28 T 8.12 4.32 4.34 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 1.33 0.00 0.00 29 L 7.88 3.72 0.00 1.46 0.87 0.85 0.74 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 30 Y 7.13 3.51 0.00 2.72 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 31 F 7.93 4.19 0.00 3.31 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 32 Q 7.80 3.98 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.87 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 33 Y 7.78 4.41 0.00 3.13 2.83 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 34 L 8.21 4.00 0.00 1.87 1.70 0.59 0.39 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 35 E 8.49 3.94 0.00 2.17 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 0.00 2.36 2.38 0.00 36 E 8.74 3.96 0.00 2.24 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 0.00 2.35 2.41 0.00 37 A 8.19 4.00 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 38 R 8.12 3.65 0.00 1.90 1.45 0.00 3.21 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 39 V 8.15 3.72 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 1.17 0.00 0.00 1.07 0.00 0.00 40 A 8.16 3.99 1.41 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 0.00 0.00 0.00 41 W 8.07 4.06 0.00 3.08 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 42 F 8.30 4.18 0.00 3.19 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 43 E 8.59 3.96 0.00 2.12 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 2.32 2.34 0.00 44 T 7.89 3.90 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 1.40 0.00 0.00 45 L 7.19 4.46 0.00 1.53 1.57 0.31 0.80 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 46 G 7.92 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 47 I 7.85 4.04 1.92 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.54 0.53 0.00 0.00 48 D 8.27 4.93 0.00 2.68 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 49 L 8.37 4.40 0.00 1.72 1.63 1.10 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.75 4.36 0.00 1.97 1.93 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 2.32 2.26 0.00 51 G 8.28 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 0.00 0.00 0.00 52 A 7.98 4.10 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 53 A 8.67 4.34 1.31 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 0.00 0.00 0.00 54 E 7.66 4.96 0.00 1.85 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 2.22 2.23 0.00 55 G 7.61 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 56 P 0.00 3.63 0.00 1.31 0.49 0.00 3.20 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.44 0.00 57 V 8.37 4.33 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 0.98 0.00 0.00 0.89 0.00 0.00 58 V 8.41 3.91 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 0.82 0.00 0.00 0.98 0.00 0.00 59 L 9.00 4.41 0.00 1.67 1.85 0.94 0.61 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 60 Q 7.81 4.71 0.00 2.17 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.64 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 61 S 8.66 5.22 0.00 3.62 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 62 L 9.19 4.89 0.00 1.57 1.07 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.86 5.16 0.00 2.93 2.85 0.00 5.95 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 T 8.66 4.42 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 1.15 0.00 0.00 65 Y 8.58 4.33 0.00 2.77 2.77 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 66 L 8.90 4.60 0.00 1.51 1.56 0.83 0.64 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 67 K 7.61 4.49 0.00 0.89 1.21 0.00 1.40 0.00 0.00 1.01 0.00 0.00 2.52 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 1.19 7.81 68 P 0.00 4.71 0.00 1.93 1.84 0.00 3.67 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.79 0.00 69 V 8.63 4.65 2.34 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 1.02 0.00 0.00 1.10 0.00 0.00 70 V 8.24 4.79 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 0.91 0.00 0.00 1.14 0.00 0.00 71 H 9.00 4.31 0.00 3.17 3.23 0.00 5.78 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.03 0.00 2.13 1.84 0.00 3.88 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 1.94 0.00 73 A 7.71 4.44 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 74 T 8.00 4.70 4.12 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 0.00 0.00 0.00 1.08 0.00 0.00 75 V 8.29 4.06 1.57 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 0.83 0.00 0.00 0.78 0.00 0.00 76 V 8.68 4.70 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 0.98 0.00 0.00 0.72 0.00 0.00 77 V 8.75 4.64 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 1.00 0.00 0.00 0.95 0.00 0.00 78 E 9.19 4.80 0.00 2.02 1.50 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 2.21 2.33 0.00 79 L 8.57 5.03 0.00 1.13 1.20 0.76 0.48 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 80 Y 9.12 5.11 0.00 2.78 2.77 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 81 A 8.86 4.23 1.25 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 82 G 8.63 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 0.00 0.00 0.00 0.00 83 R 8.63 4.28 0.00 1.92 2.08 0.00 2.94 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 84 L 8.62 4.97 0.00 1.68 1.61 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.86 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 86 T 8.47 4.03 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 1.21 0.00 0.00 87 S 8.00 4.86 0.00 4.16 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 88 S 8.15 5.40 0.00 4.08 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 89 L 9.24 5.11 0.00 1.97 1.97 1.10 1.66 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 90 V 8.91 4.56 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 0.94 0.00 0.00 0.94 0.00 0.00 91 L 9.10 5.01 0.00 1.81 1.58 0.99 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 92 E 9.09 4.94 0.00 1.99 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 2.33 2.42 0.00 93 H 9.18 5.68 0.00 3.20 3.37 0.00 5.40 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 94 R 9.08 5.12 0.00 1.87 1.75 0.00 3.19 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.77 0.00 95 L 8.81 5.23 0.00 1.84 1.62 0.96 1.02 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 96 H 9.08 5.40 0.00 3.07 3.38 0.00 5.75 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 T 8.03 4.80 4.03 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 0.53 0.00 0.00 98 L 8.47 4.04 0.00 1.46 1.71 0.87 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.22 4.08 0.00 2.07 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 2.25 2.32 0.00 100 D 7.75 4.90 0.00 2.88 2.71 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 0.00 0.00 0.00 101 P 0.00 4.42 0.00 2.18 2.14 0.00 3.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 102 Q 7.96 4.38 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.99 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 103 G 7.96 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 0.00 104 T 8.28 4.65 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 0.00 105 Y 9.58 4.02 0.00 3.05 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 0.00 106 G 7.90 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 0.00 107 E 7.55 5.00 0.00 2.00 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 2.06 2.13 0.00 108 G 7.62 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 0.00 109 H 7.93 5.30 0.00 3.36 3.56 0.00 5.41 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 C 9.23 5.28 0.00 3.09 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 0.00 111 K 9.20 4.93 0.00 1.82 1.79 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.43 1.51 7.81 112 L 9.28 5.30 0.00 1.80 1.40 1.39 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.50 5.07 2.16 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 0.78 0.00 0.00 0.98 0.00 0.00 114 W 9.72 4.66 0.00 3.36 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 0.00 115 V 8.35 4.86 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 0.99 0.00 0.00 0.93 0.00 0.00 116 R 9.02 4.40 0.00 1.90 1.79 0.00 3.15 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 117 H 9.23 4.14 0.00 3.24 3.29 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 7.91 4.51 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 0.00 119 E 7.98 4.45 0.00 1.88 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 2.21 2.23 0.00 120 N 8.00 4.16 0.00 2.89 2.81 0.00 0.00 6.87 7.22 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 0.00 121 R 7.17 4.82 0.00 1.88 1.84 0.00 3.40 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 122 S 8.85 4.99 0.00 3.98 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.80 4.85 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 1.31 0.00 0.00 124 P 0.00 4.67 0.00 1.88 1.97 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 125 V 7.86 2.62 1.82 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 0.17 0.00 0.00 0.76 0.00 0.00 126 P 0.00 4.22 0.00 1.97 1.80 0.00 2.38 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.87 0.00 127 D 8.70 4.33 0.00 2.62 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 0.00 128 S 7.94 4.07 0.00 3.98 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 0.00 129 I 7.47 3.80 1.64 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.52 1.07 0.00 0.00 130 R 7.72 3.88 0.00 1.98 1.95 0.00 3.03 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 131 A 8.45 4.04 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 0.00 132 A 8.06 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 133 I 8.26 4.13 1.92 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.79 0.95 0.00 0.00 134 A 8.66 4.23 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 * Residues marked with a * may have inaccurate shift predictions.