NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 3.1714 8.1933 116.6130 57.8595 64.9597 172.1418 2 L 4.6676 7.9939 122.3324 53.4850 42.8873 174.5131 3 A 4.8312 9.5639 124.5953 50.5935 23.7176 174.7074 4 V 4.9863 8.1838 111.4196 59.2979 34.7154 176.2633 5 D 4.4640 8.4663 121.8696 55.7605 39.4302 175.8139 6 Q 4.6064 8.0009 117.0502 54.2435 32.2213 174.4552 7 T 4.4726 8.1361 106.5918 62.0977 70.1624 174.1594 8 R 4.9373 7.1789 116.7468 55.2227 32.6811 173.8003 9 Y 4.8963 9.2287 117.0165 56.3400 42.5355 174.7115 10 I 5.0778 8.4912 122.1041 59.5602 40.1338 175.3104 11 F 4.4388 9.8182 132.1114 57.3466 39.8904 174.5624 12 R 4.4577 8.2508 124.0780 55.4362 30.4682 178.0536 13 G 3.7558 8.7591 111.6640 47.8284 0.0000 173.7904 14 D 4.7692 7.9470 118.2809 53.1191 39.6474 175.4446 15 E 4.7714 7.6724 118.1395 55.1436 33.2243 175.3104 16 D 4.7108 8.5528 118.5704 55.7105 41.7058 176.4613 17 A 5.0307 7.3984 118.3017 50.5287 22.6748 175.0524 18 L 4.5568 9.0594 121.4102 53.5257 44.9862 175.2457 19 T 4.9572 8.5432 122.7938 62.1175 70.1638 173.9019 20 I 4.4253 8.5144 127.3609 59.6060 40.0449 174.3828 21 T 5.0072 8.7222 120.8202 60.4448 69.6405 173.0711 22 V 4.9594 8.7029 122.7764 59.8548 34.3967 174.9842 23 T 5.0685 8.5570 114.3370 59.8134 71.7843 172.3724 24 N 4.8120 8.9970 123.4318 53.1504 39.7070 174.6990 25 N 4.3317 9.8181 127.7389 56.4812 38.8617 174.5521 26 D 4.3292 8.4597 119.1591 55.7415 41.4546 177.8820 27 K 4.6248 8.7866 128.4207 55.1598 32.3177 174.1451 28 E 4.6884 9.4838 114.5685 56.7116 32.4267 182.1007 29 R 4.8861 8.2663 116.8647 55.3102 32.0483 180.4982 30 T 4.4635 8.4566 114.1218 60.7924 70.2043 173.8329 31 F 4.6882 9.0441 123.1421 55.5111 42.0344 175.5821 32 G 3.9462 8.8829 110.4197 46.2473 0.0000 172.6514 33 G 3.9071 8.4363 107.2446 44.1958 0.0000 171.5711 34 Q 5.3429 9.2842 123.8063 54.1344 32.4877 173.7418 35 A 5.9400 9.4233 127.2424 49.2873 22.5039 174.8050 36 W 4.7739 7.8990 114.8210 55.9892 31.3608 173.0029 37 V 4.9040 8.7452 120.3994 61.3400 33.4273 174.1399 38 D 5.2144 9.4822 128.0505 52.8234 42.7475 176.1914 39 N 5.0197 9.0869 120.2144 54.0462 39.1761 173.5911 40 I 4.3879 7.8845 118.1911 63.1942 39.6555 177.7867 41 V 3.6938 7.4934 118.9109 65.5535 31.7709 176.8279 42 E 4.1027 8.0791 121.4144 56.7641 29.8636 177.7610 43 K 4.1502 8.6573 125.2224 57.2319 32.2526 174.9260 44 D 4.5023 7.9617 117.0487 55.0328 41.4220 175.9234 45 T 4.2228 8.2316 117.4616 62.4386 68.0770 174.7403 46 R 3.8343 8.1935 121.5810 56.2644 30.1882 174.2359 47 P 4.4045 0.0000 0.0000 63.3282 32.0550 176.5706 48 T 3.9573 8.5923 119.6727 65.3761 69.6711 174.5785 49 F 4.9522 7.9202 117.8209 55.3412 42.4422 174.9613 50 V 4.4856 8.8335 122.2924 61.1158 34.0615 174.3083 51 V 4.9284 8.5232 126.8089 61.4600 33.7493 174.5906 52 T 4.8284 8.6219 124.1728 61.0564 71.6964 172.0000 53 P 4.8029 0.0000 0.0000 62.6149 32.5442 176.3011 54 S 4.8014 8.7441 113.9463 59.6425 64.7864 173.2178 55 F 5.5132 8.3218 122.9727 56.9536 41.9824 173.0797 56 F 4.8661 8.1233 120.4695 55.9126 41.7976 172.9097 57 K 5.0509 8.6338 117.1332 54.5564 35.8487 176.2742 58 V 4.5052 9.2053 125.2091 61.4047 34.3709 175.9868 59 K 4.5600 8.8007 130.9342 54.3718 33.1284 171.1098 60 P 4.5124 0.0000 0.0000 64.8641 31.4457 176.3938 61 N 4.3337 8.1308 116.4311 53.1680 37.0965 174.4091 62 G 4.0713 8.0654 107.3436 45.4082 0.0000 172.7731 63 Q 5.2598 8.4032 117.0574 54.1346 33.0386 175.1980 64 Q 4.4787 9.1756 122.6818 54.6090 32.3360 174.0212 65 T 4.5714 8.5568 117.1408 61.2839 70.2269 173.8506 66 L 4.7244 9.3238 125.7814 52.8996 44.8588 175.3105 67 R 4.8155 8.8892 123.8725 54.8025 32.2916 174.3486 68 I 5.0643 9.1175 128.7797 59.9353 39.0952 175.1424 69 I 5.2347 8.7145 119.6988 59.1583 41.4104 174.0337 70 M 3.9117 8.8022 123.3843 55.1594 32.1590 175.5132 71 A 4.4228 8.2765 127.3272 51.8675 20.9239 176.5985 72 S 4.2845 7.3045 109.6349 55.8644 63.2414 173.6203 73 D 4.5411 8.3501 123.5662 54.2499 38.6361 177.0435 74 H 4.7559 8.1186 114.0443 56.0932 28.4294 174.8286 75 L 4.1920 7.0669 120.4677 53.3548 42.2284 175.1826 76 P 4.2890 0.0000 0.0000 63.6799 31.6792 177.1278 77 K 4.4722 8.6432 122.8702 54.8260 32.4463 174.5526 78 D 4.8400 7.9095 115.4477 53.9006 40.3548 176.1358 79 K 4.5619 7.3894 117.5648 55.0499 35.4644 175.2219 80 E 4.4991 8.4770 122.2755 56.5260 30.3736 175.7761 81 S 4.8680 8.9761 118.3999 56.7942 67.1624 172.7982 82 V 4.7397 7.7231 112.0546 59.9480 35.1121 174.6516 83 Y 4.5598 8.0861 118.3807 56.4410 43.2141 174.0876 84 W 5.1624 8.7666 121.9876 55.7065 30.9103 175.2626 85 L 4.6930 9.3092 128.5902 54.1254 43.0282 174.7779 86 N 5.0184 8.6119 124.5689 51.1256 41.2354 173.6572 87 L 4.7462 8.8578 125.5393 53.4272 44.9111 174.6838 88 Q 5.1881 9.5213 129.5010 54.4499 30.8741 174.5767 89 D 5.2026 8.9247 126.8748 52.8280 41.7967 176.7633 90 I 4.7044 8.8618 120.0349 58.5577 39.7885 173.2799 91 P 3.8951 0.0000 0.0000 61.7937 31.8117 174.7292 92 P 4.2494 0.0000 0.0000 61.9133 31.9608 176.4798 93 A 4.1197 8.1596 123.1069 52.1664 18.9138 177.5936 94 L 4.1645 8.3679 123.2647 55.3889 42.5992 178.2367 95 E 4.3872 8.9634 120.2868 55.3575 29.8601 172.4220 96 G 4.0009 8.1586 106.4643 43.4718 0.0000 173.8200 97 S 4.1788 8.4936 114.3863 57.7303 63.1995 174.2539 98 G 4.0376 7.5045 111.9576 45.9180 0.0000 171.8357 99 I 4.4707 7.7997 116.6444 57.6515 38.2568 171.1527 100 A 4.7532 8.5511 127.7199 49.3913 20.8546 175.7170 101 V 4.1958 8.4581 122.6376 61.0401 32.8462 174.6635 102 A 4.9600 8.6081 129.8023 50.2805 21.1027 174.8313 103 L 4.7297 9.5633 123.6188 52.9052 44.2337 175.4475 104 R 4.9402 8.6598 124.3356 54.9109 31.8675 174.6309 105 T 4.5666 8.9828 122.0005 60.1799 69.8876 172.9944 106 K 4.9236 8.5614 128.7386 54.7982 34.5907 174.8490 107 L 5.1216 9.0045 127.7503 52.5460 45.6078 176.2656 108 K 4.1781 8.8292 121.3971 56.3367 33.5258 175.6189 109 L 4.9613 9.0166 128.3006 53.3887 43.9022 175.1526 110 F 5.0599 9.4111 126.6097 57.0489 40.9892 174.2735 111 Y 5.1909 9.3732 124.4431 56.0433 41.1070 174.2340 112 R 4.4205 8.3150 127.7619 53.6443 31.9805 173.1660 113 P 4.4054 0.0000 0.0000 63.2518 32.4598 178.3909 114 K 3.7980 9.0097 123.4061 57.9679 31.6011 179.6186 115 A 4.3101 7.9928 119.2838 53.3014 18.4637 177.5274 116 L 4.6415 7.8554 115.3378 54.3521 43.2546 178.5199 117 L 4.0130 7.9764 119.9271 58.0292 41.8751 179.4758 118 E 3.8889 8.3996 116.2821 59.5046 29.3983 178.3930 119 G 3.8838 7.5859 103.8897 46.2714 0.0000 174.5372 120 R 2.8374 8.1056 122.8084 60.6849 31.4385 181.2047 121 K 3.6347 7.3944 111.4417 53.7388 32.9953 177.9007 122 G 3.7810 9.2437 115.5401 45.3843 0.0000 175.7041 123 A 3.1724 6.7039 126.8953 51.7112 22.0749 178.1734 124 E 4.3375 8.2351 116.9331 56.1469 37.4300 179.8335 125 E 4.2112 9.3220 117.5671 57.8726 30.7505 180.8323 126 G 3.5667 8.2970 106.2641 48.1012 0.0000 173.5247 127 I 2.6416 7.7471 120.0701 62.5387 40.3079 173.8632 *140 V 4.0913 7.8034 115.3885 67.0487 32.7429 174.7823 141 N 4.0621 6.7817 118.4723 55.2936 36.1731 173.8460 142 T 4.3011 9.0499 120.1056 63.9340 69.4591 175.9702 143 T 4.3092 7.5999 111.7253 61.0260 69.6536 172.3853 144 P 4.5052 0.0000 0.0000 62.8750 31.2740 175.0900 145 Y 4.9081 7.7308 115.9579 56.1476 40.8860 175.1427 146 I 4.3662 8.8796 123.0189 60.0272 38.5127 175.4431 147 F 5.2398 9.0153 125.6029 55.8063 42.1228 174.3491 148 A 5.2946 8.6902 124.8322 51.6146 20.0440 176.1337 *168 Q 4.1768 9.1076 122.9700 55.4652 30.0062 174.0161 169 K 4.4662 8.5701 121.3473 56.2048 32.9218 181.2256 170 L 4.2517 7.7480 117.2821 55.9169 41.7305 182.7525 171 L 4.3382 7.7100 116.3262 57.6294 42.4673 176.0700 172 M 4.9647 7.3592 116.9535 54.1997 31.0318 177.2009 173 F 4.8721 9.1670 123.7178 58.0904 39.7904 175.2616 174 M 4.4967 8.2764 124.6492 53.5535 33.7236 173.9563 175 P 4.1499 0.0000 0.0000 64.9080 31.5993 176.9081 176 G 3.8775 9.1030 112.5516 45.2311 0.0000 172.9780 177 D 4.3979 6.7536 117.3979 55.3415 42.8960 176.2401 *190 S 4.3939 7.4951 112.9658 58.6753 65.3609 172.6675 191 L 5.1194 8.2000 123.8413 54.1268 42.1592 177.4906 192 N 4.6450 8.7768 130.7070 54.8379 38.8387 176.3467 *195 G 3.9786 8.4078 106.1382 45.6373 0.0000 176.5117 196 E 4.4807 5.9000 127.2429 55.8461 29.5952 179.2127 197 L 4.8270 8.2478 117.6092 54.8773 44.9736 172.8351 198 Q 4.2376 8.8063 124.3526 55.2527 28.9600 174.9798 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 S 8.19 3.17 0.00 3.57 3.58 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 2 L 7.99 4.67 0.00 1.49 1.62 1.06 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 3 A 9.56 4.83 1.18 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 0.00 0.00 4 V 8.18 4.99 2.28 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 0.83 0.00 0.00 1.12 0.00 0.00 5 D 8.47 4.46 0.00 2.73 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 6 Q 8.00 4.61 0.00 1.16 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.79 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 7 T 8.14 4.47 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 1.20 0.00 0.00 8 R 7.18 4.94 0.00 2.02 2.00 0.00 3.00 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.74 0.00 9 Y 9.23 4.90 0.00 2.99 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 10 I 8.49 5.08 1.92 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.71 0.95 0.00 0.00 11 F 9.82 4.44 0.00 2.98 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 12 R 8.25 4.46 0.00 1.98 1.98 0.00 2.96 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 1.51 1.48 0.00 13 G 8.76 3.76 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 0.00 0.00 0.00 14 D 7.95 4.77 0.00 2.79 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 15 E 7.67 4.77 0.00 1.65 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 2.17 2.16 0.00 16 D 8.55 4.71 0.00 2.68 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 17 A 7.40 5.03 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 18 L 9.06 4.56 0.00 1.57 1.56 0.97 1.16 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 19 T 8.54 4.96 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 1.17 0.00 0.00 20 I 8.51 4.43 1.61 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 -0.12 0.76 0.00 0.00 21 T 8.72 5.01 4.23 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 1.32 0.00 0.00 22 V 8.70 4.96 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 0.61 0.00 0.00 1.00 0.00 0.00 23 T 8.56 5.07 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 1.26 0.00 0.00 24 N 9.00 4.81 0.00 2.86 2.88 0.00 0.00 6.84 6.98 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 25 N 9.82 4.33 0.00 2.76 2.78 0.00 0.00 7.17 8.35 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 26 D 8.46 4.33 0.00 3.13 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 27 K 8.79 4.62 0.00 1.81 1.69 0.00 1.69 0.00 0.00 0.87 0.00 0.00 3.00 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.33 0.95 7.81 28 E 9.48 4.69 0.00 1.88 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 0.00 2.14 2.08 0.00 29 R 8.27 4.89 0.00 1.55 1.70 0.00 3.23 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 1.44 1.15 0.00 30 T 8.46 4.46 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 1.21 0.00 0.00 31 F 9.04 4.69 0.00 3.06 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 32 G 8.88 3.95 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 0.00 0.00 0.00 33 G 8.44 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 34 Q 9.28 5.34 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.59 2.68 0.00 35 A 9.42 5.94 1.43 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 36 W 7.90 4.77 0.00 3.44 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.75 4.90 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 0.97 0.00 0.00 0.94 0.00 0.00 38 D 9.48 5.21 0.00 2.92 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 39 N 9.09 5.02 0.00 2.73 3.01 0.00 0.00 6.83 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 40 I 7.88 4.39 1.53 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.38 0.81 0.00 0.00 41 V 7.49 3.69 1.98 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 0.76 0.00 0.00 0.82 0.00 0.00 42 E 8.08 4.10 0.00 2.04 1.90 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 2.37 2.42 0.00 43 K 8.66 4.15 0.00 1.77 1.72 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 0.99 7.81 44 D 7.96 4.50 0.00 2.60 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.23 4.22 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 1.21 0.00 0.00 46 R 8.19 3.83 0.00 1.78 1.83 0.00 3.28 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 47 P 0.00 4.40 0.00 2.09 2.05 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 48 T 8.59 3.96 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 0.32 0.00 0.00 49 F 7.92 4.95 0.00 2.68 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 50 V 8.83 4.49 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 0.98 0.00 0.00 0.93 0.00 0.00 51 V 8.52 4.93 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 0.93 0.00 0.00 1.00 0.00 0.00 52 T 8.62 4.83 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 1.24 0.00 0.00 53 P 0.00 4.80 0.00 2.38 2.11 0.00 3.54 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.89 0.00 54 S 8.74 4.80 0.00 4.25 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 55 F 8.32 5.51 0.00 2.96 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 56 F 8.12 4.87 0.00 3.12 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 57 K 8.63 5.05 0.00 1.85 1.69 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.60 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 0.96 7.81 58 V 9.21 4.51 2.24 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 1.01 0.00 0.00 1.19 0.00 0.00 59 K 8.80 4.56 0.00 1.49 1.68 0.00 1.86 0.00 0.00 1.82 0.00 0.00 2.79 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.44 1.05 7.81 60 P 0.00 4.51 0.00 2.07 2.07 0.00 3.82 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 61 N 8.13 4.33 0.00 3.00 2.92 0.00 0.00 6.74 7.75 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 62 G 8.07 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 0.00 0.00 0.00 63 Q 8.40 5.26 0.00 1.89 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.66 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 64 Q 9.18 4.48 0.00 2.01 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.98 0.00 0.00 0.00 0.00 0.00 1.41 1.85 0.00 65 T 8.56 4.57 4.18 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 1.17 0.00 0.00 66 L 9.32 4.72 0.00 1.37 1.48 0.88 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.89 4.82 0.00 1.83 1.78 0.00 3.08 0.00 0.00 3.18 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 68 I 9.12 5.06 1.99 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 1.28 0.56 1.01 0.00 0.00 69 I 8.71 5.23 1.99 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 1.16 1.23 1.01 0.00 0.00 70 M 8.80 3.91 0.00 1.86 1.61 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.86 0.00 71 A 8.28 4.42 1.14 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 0.00 0.00 72 S 7.30 4.28 0.00 3.65 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.35 4.54 0.00 2.80 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 74 H 8.12 4.76 0.00 3.20 3.38 0.00 5.74 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.07 4.19 0.00 1.23 1.41 0.14 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.29 0.00 2.07 2.00 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 77 K 8.64 4.47 0.00 1.77 1.70 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 0.98 7.81 78 D 7.91 4.84 0.00 2.72 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 79 K 7.39 4.56 0.00 1.81 1.67 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.39 7.81 80 E 8.48 4.50 0.00 2.01 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 2.49 2.42 0.00 81 S 8.98 4.87 0.00 3.74 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 82 V 7.72 4.74 1.39 0.00 0.00 0.00 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 0.62 0.00 0.00 83 Y 8.09 4.56 0.00 2.84 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 84 W 8.77 5.16 0.00 3.34 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 85 L 9.31 4.69 0.00 1.68 1.69 0.88 0.31 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 86 N 8.61 5.02 0.00 1.44 1.42 0.00 0.00 5.96 6.46 0.00 0.00 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 L 8.86 4.75 0.00 1.60 1.49 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 9.52 5.19 0.00 2.50 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 89 D 8.92 5.20 0.00 2.75 2.63 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 90 I 8.86 4.70 1.91 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.08 0.96 0.00 0.00 91 P 0.00 3.90 0.00 2.01 2.22 0.00 3.89 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.25 0.00 92 P 0.00 4.25 0.00 1.92 1.87 0.00 3.30 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.98 0.00 93 A 8.16 4.12 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 94 L 8.37 4.16 0.00 1.64 1.82 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.96 4.39 0.00 1.98 1.80 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 2.18 1.86 0.00 96 G 8.16 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.49 4.18 0.00 3.99 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 G 7.50 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 0.00 0.00 0.00 99 I 7.80 4.47 1.87 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 1.35 0.88 0.91 0.00 0.00 100 A 8.55 4.75 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 0.00 101 V 8.46 4.20 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 0.87 0.00 0.00 0.97 0.00 0.00 102 A 8.61 4.96 1.29 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 0.00 103 L 9.56 4.73 0.00 1.70 1.55 0.88 0.62 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 0.00 104 R 8.66 4.94 0.00 2.21 1.84 0.00 3.25 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 105 T 8.98 4.57 4.23 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 1.25 0.00 0.00 106 K 8.56 4.92 0.00 1.65 1.45 0.00 1.27 0.00 0.00 1.14 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.76 1.20 7.81 107 L 9.00 5.12 0.00 1.77 1.81 1.15 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.83 4.18 0.00 1.63 0.97 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.80 1.59 7.81 109 L 9.02 4.96 0.00 1.67 1.60 0.97 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 110 F 9.41 5.06 0.00 3.09 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 0.00 111 Y 9.37 5.19 0.00 3.31 3.14 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 0.00 112 R 8.32 4.42 0.00 1.89 1.69 0.00 3.18 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 113 P 0.00 4.41 0.00 2.15 2.05 0.00 3.56 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 2.24 2.43 0.00 114 K 9.01 3.80 0.00 1.68 1.83 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.03 7.81 115 A 7.99 4.31 1.29 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 0.00 116 L 7.86 4.64 0.00 1.79 1.61 0.61 0.24 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 0.00 117 L 7.98 4.01 0.00 1.80 1.73 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.40 3.89 0.00 1.98 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 2.32 2.32 0.00 119 G 7.59 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 R 8.11 2.84 0.00 1.78 1.87 0.00 2.66 0.00 0.00 3.04 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.46 0.00 121 K 7.39 3.63 0.00 1.88 1.72 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.03 7.81 122 G 9.24 3.78 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 0.00 0.00 0.00 123 A 6.70 3.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.24 4.34 0.00 1.84 1.61 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 2.15 1.80 0.00 125 E 9.32 4.21 0.00 1.98 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 2.23 1.88 0.00 126 G 8.30 3.57 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 0.00 127 I 7.75 2.64 1.89 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 1.20 1.29 0.95 0.00 0.00 *140 V 7.80 4.09 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 0.77 0.00 0.00 0.93 0.00 0.00 141 N 6.78 4.06 0.00 1.58 2.62 0.00 0.00 7.01 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 0.00 142 T 9.05 4.30 4.70 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 1.25 0.00 0.00 143 T 7.60 4.31 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 144 P 0.00 4.51 0.00 1.62 2.04 0.00 3.60 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.01 0.00 145 Y 7.73 4.91 0.00 2.25 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 I 8.88 4.37 2.05 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 1.19 0.48 1.09 0.00 0.00 147 F 9.02 5.24 0.00 3.31 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 0.00 148 A 8.69 5.29 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 *168 Q 9.11 4.18 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.26 1.93 0.00 169 K 8.57 4.47 0.00 1.68 1.82 0.00 1.74 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.00 7.81 170 L 7.75 4.25 0.00 1.65 1.59 0.92 0.90 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 0.00 171 L 7.71 4.34 0.00 1.96 1.84 0.98 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 172 M 7.36 4.96 0.00 1.88 2.02 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 173 F 9.17 4.87 0.00 3.22 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 0.00 174 M 8.28 4.50 0.00 1.90 2.18 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.72 0.00 175 P 0.00 4.15 0.00 1.93 2.07 0.00 3.53 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.09 0.00 176 G 9.10 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 D 6.75 4.40 0.00 2.47 2.53 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 *190 S 7.50 4.39 0.00 3.81 3.78 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 0.00 191 L 8.20 5.12 0.00 1.58 1.26 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 192 N 8.78 4.64 0.00 2.78 2.87 0.00 0.00 5.79 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *195 G 8.41 3.98 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 0.00 0.00 0.00 196 E 5.90 4.48 0.00 1.88 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.12 0.00 197 L 8.25 4.83 0.00 1.60 1.41 0.92 0.62 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 0.00 198 Q 8.81 4.24 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.52 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 * Residues marked with a * may have inaccurate shift predictions.