NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -6 L 4.3573 8.2845 122.5139 54.6223 43.8673 178.1383 *-5 Y 3.8985 8.0110 116.2728 59.3979 37.3605 180.4945 -4 F 4.6059 8.1427 117.8937 56.7230 40.9997 176.4202 -3 Q 4.1487 8.9236 125.0880 59.9050 28.9275 178.3884 -2 S 4.3415 8.4274 114.2332 61.1925 62.4816 178.0771 -1 N 4.4638 8.4669 116.9290 56.2956 38.3012 176.9118 0 A 3.8788 8.2943 116.7453 53.4367 18.4861 178.0239 -4 A 4.3059 8.0827 121.3937 51.5230 20.4998 178.4202 -3 K 4.1287 8.8936 125.6880 60.4050 32.6275 178.9884 -2 S 4.3415 8.4274 114.2332 61.1925 62.4816 178.0771 -1 R 4.0638 8.2969 118.7290 59.1956 30.3012 178.0118 0 L 3.8988 8.2143 114.7453 56.0367 41.7861 177.8239 7 L 4.1320 7.9017 118.2500 57.8590 41.5393 179.2392 8 L 3.9669 7.8925 119.6744 58.2148 42.0713 178.8043 9 S 4.0998 8.0095 112.7029 61.0298 62.3255 175.7024 10 E 3.8965 7.9375 121.7180 59.0157 29.7370 177.8896 11 L 3.9345 8.1577 120.8113 58.5017 42.0881 179.0122 12 L 4.0263 8.2335 118.8626 58.0534 41.3634 179.3939 13 D 4.4877 8.0329 117.5428 57.0400 40.7486 178.6117 14 Q 4.1529 8.0647 118.4172 58.8004 28.8943 177.9942 15 L 4.4153 7.8291 117.6744 54.9032 42.0528 177.1880 16 S 3.6373 7.2017 113.1356 57.6532 62.7976 173.7340 17 F 4.7966 7.3190 118.4274 55.1319 41.0609 173.3383 18 A 4.6171 8.6958 121.9672 51.0918 20.6434 176.3005 19 L 5.4076 8.2711 122.3837 53.8813 45.8751 174.4411 20 C 5.3754 9.3836 119.6062 57.0702 34.0444 172.4635 21 I 4.9712 8.9006 120.5663 59.5311 39.8461 174.8401 22 V 4.9113 8.7341 126.6914 60.9960 34.0853 175.0417 23 R 4.5859 9.1209 128.8792 55.7196 31.3203 176.5059 24 N 4.3174 8.4929 119.7308 53.4999 37.4138 174.9420 25 D 4.5682 7.6111 117.8897 53.4293 40.0741 176.1250 26 Y 3.7351 7.8471 115.2113 59.4863 36.1833 169.6000 27 V 4.6670 7.2712 112.9468 60.0430 33.5556 175.0176 28 I 4.7776 8.3748 123.8214 60.8131 37.5897 176.9374 29 V 4.1631 8.4592 120.9692 62.3634 32.7436 176.6414 30 K 4.6715 7.6996 121.1887 55.2062 35.4992 174.6538 31 V 5.0273 8.2628 125.8700 59.9040 34.6594 174.2379 32 N 4.0961 9.0358 122.1068 53.7238 39.2544 176.6733 33 E 4.0821 9.1217 122.0056 61.0393 29.5998 177.3368 34 Y 4.1927 7.8986 117.5879 60.9019 39.2843 177.1600 35 F 4.2996 8.2866 121.0440 61.6452 39.4587 176.7778 36 E 4.0602 8.0127 116.6803 58.8414 29.3297 178.6142 37 S 4.6147 7.7248 111.1556 58.5616 64.0968 174.6523 38 R 4.5060 8.0112 122.6040 56.2146 31.6244 175.6190 39 V 4.9792 7.6673 117.0837 61.1028 36.5315 180.7217 40 I 3.0697 7.7659 122.3885 60.1093 34.9437 173.4826 *43 G 3.8172 8.2341 109.1425 46.8472 0.0000 173.9809 44 E 4.1055 7.8726 117.5208 57.8237 31.0870 179.6186 45 T 4.0091 7.0328 117.2705 61.0477 70.3042 173.4192 *47 Q 3.8796 8.6597 120.7596 56.6781 30.1568 174.9855 48 G 3.7246 9.7170 114.3515 45.4924 0.0000 171.7633 49 K 4.3091 7.1651 116.3365 54.8469 35.7723 173.4964 50 N 5.0728 8.3867 116.9575 52.9601 40.1893 175.4252 51 I 3.8649 8.3167 128.9282 64.5810 37.1465 178.5299 52 L 4.0568 7.9514 118.6953 57.8873 41.5018 179.1329 53 E 4.1319 8.2793 116.7046 58.6061 29.6583 178.4757 54 L 3.9650 7.4653 117.9087 55.9482 43.0473 177.0204 55 F 5.0083 7.9935 116.6865 55.4680 39.7081 174.1795 56 P 4.4262 0.0000 0.0000 65.4818 31.8540 179.1549 57 E 4.1849 8.2586 116.4258 58.9270 29.6268 177.7950 58 S 4.7111 8.7002 114.1892 57.4282 65.1352 175.9696 59 A 4.0416 8.0663 125.8745 55.1619 17.9052 180.2242 60 D 4.2649 8.0720 117.0354 57.8508 41.1315 178.0708 61 Y 3.9538 8.0833 119.3313 60.7104 38.6495 178.2341 62 L 4.0962 8.2953 119.8274 57.6560 41.7856 178.8989 63 K 3.7763 8.0374 119.6820 59.7156 32.0168 178.3954 64 R 4.0070 7.7576 117.9927 59.6319 29.9276 178.6272 65 K 4.1572 7.9406 117.6079 59.3544 32.0968 179.5865 66 I 3.8953 8.1929 120.3391 64.5928 37.3601 177.8371 67 D 4.4797 8.9499 120.6938 57.8940 40.5779 179.1601 68 T 3.8537 8.4959 116.0182 66.6539 68.5091 176.1526 69 A 4.1777 7.6124 121.1489 55.3599 18.2886 179.7236 70 L 4.1988 7.7024 116.0530 57.9709 40.6065 179.2859 71 V 3.9027 7.3674 119.3199 64.5019 32.1409 177.9651 72 I 3.7982 7.9561 118.1985 60.7270 38.5255 174.9391 73 E 3.8661 8.6879 118.2143 57.0515 26.9725 173.6270 74 S 4.7382 7.5807 111.5493 56.7719 67.5716 174.5997 75 S 5.3355 8.8082 117.9067 58.5867 63.1177 173.9574 76 S 4.9939 8.7054 116.5486 56.7332 66.7279 172.8146 77 F 5.0911 8.6726 122.5072 57.3448 41.6314 173.4748 78 S 4.7320 8.4641 122.3510 57.8698 66.1771 174.5646 79 S 4.0841 9.0013 122.2453 60.5340 58.7585 175.5954 *81 E 4.0124 9.3769 117.5468 56.0671 32.3393 177.8200 82 Q 4.5502 7.8973 119.4913 54.6196 29.1231 178.5698 83 K 4.4696 8.2342 126.0475 52.9155 32.9196 172.2193 84 P 4.7330 0.0000 0.0000 63.1253 34.5037 176.9749 *85 H 4.8074 8.3930 114.5269 54.8974 27.6256 177.5235 86 L 4.9175 7.4650 121.8487 56.6864 42.5524 180.5310 *103 Y 4.7325 7.5943 121.4068 57.3656 40.8233 173.9411 104 Q 5.2907 8.0932 115.7541 54.8102 31.7396 175.0285 105 N 5.0959 8.9824 120.0946 51.4551 41.7186 173.5778 106 L 5.2708 7.9892 123.4882 53.3121 45.9381 174.7374 107 E 5.3660 9.1577 124.4341 53.4656 33.7449 174.3221 108 V 4.8653 8.5366 125.0060 61.4731 34.8784 173.6803 109 I 4.9405 8.8400 130.0864 58.6537 39.5107 173.7059 110 P 4.7995 0.0000 0.0000 62.8190 32.0782 175.7497 111 I 4.4500 9.1426 124.3775 59.8007 39.4353 174.8159 112 H 4.7202 8.8147 125.2981 55.3347 29.4052 175.9532 113 S 4.4937 8.9827 121.1364 57.8709 63.4830 175.1561 114 E 4.0031 8.7176 121.2126 59.5552 29.2619 178.7582 115 D 4.4059 7.9807 117.3728 54.9689 39.8172 176.5435 116 G 3.9440 7.7825 106.6827 45.5219 0.0000 174.1775 117 T 4.1979 8.3001 111.8480 60.9341 69.7294 174.0562 118 I 4.4294 8.2723 127.8136 61.3875 37.7643 175.9943 119 E 4.7145 8.7310 120.7569 56.2389 32.5349 171.3546 120 H 5.4285 7.9795 115.3856 55.3029 33.6303 172.6656 121 V 4.9207 8.7614 114.6732 59.7187 35.3972 174.2162 122 C 4.8213 9.5001 125.5129 58.5032 33.4339 172.1607 123 L 5.3564 9.1179 125.7027 53.2180 44.6427 175.1659 124 C 5.4183 9.2256 121.3398 57.8147 31.9529 173.1268 125 V 4.6882 8.3174 122.9699 61.2029 34.1269 173.5716 126 Y 5.0279 8.8453 125.5442 56.2384 40.4939 174.9031 127 D 4.9500 8.8583 123.7038 54.1558 42.1266 176.5657 128 V 4.0465 8.3350 121.5617 63.1173 31.5125 175.0223 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 -6 L 8.28 4.36 0.00 1.65 1.79 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 *-5 Y 8.01 3.90 0.00 2.45 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 0.00 0.00 0.00 -4 F 8.14 4.61 0.00 3.02 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 -3 Q 8.92 4.15 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 -2 S 8.43 4.34 0.00 3.65 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 -1 N 8.47 4.46 0.00 2.98 2.97 0.00 0.00 6.83 7.35 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 A 8.29 3.88 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 -4 A 8.08 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 -3 K 8.89 4.13 0.00 1.91 2.03 0.00 0.61 0.00 0.00 1.74 0.00 0.00 2.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 -2 S 8.43 4.34 0.00 3.65 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 -1 R 8.30 4.06 0.00 2.01 1.98 0.00 2.21 0.00 0.00 3.23 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 0 L 8.21 3.90 0.00 1.34 1.73 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.90 4.13 0.00 1.85 1.73 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.89 3.97 0.00 1.76 1.82 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.01 4.10 0.00 4.00 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 10 E 7.94 3.90 0.00 2.08 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 0.00 2.38 2.37 0.00 11 L 8.16 3.93 0.00 1.77 1.83 0.93 0.56 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 12 L 8.23 4.03 0.00 1.72 1.72 0.93 1.06 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 13 D 8.03 4.49 0.00 2.73 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 14 Q 8.06 4.15 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 15 L 7.83 4.42 0.00 1.70 1.81 0.98 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.20 3.64 0.00 3.54 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 17 F 7.32 4.80 0.00 2.74 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 18 A 8.70 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.27 5.41 0.00 1.54 1.46 1.14 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 20 C 9.38 5.38 0.00 3.14 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 21 I 8.90 4.97 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.68 0.94 0.00 0.00 22 V 8.73 4.91 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 1.14 0.00 0.00 1.03 0.00 0.00 23 R 9.12 4.59 0.00 1.91 1.92 0.00 3.14 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.38 0.00 24 N 8.49 4.32 0.00 2.61 2.77 0.00 0.00 6.80 8.21 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 25 D 7.61 4.57 0.00 2.76 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 26 Y 7.85 3.74 0.00 3.22 3.11 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 27 V 7.27 4.67 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 0.84 0.00 0.00 0.95 0.00 0.00 28 I 8.37 4.78 1.85 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 1.24 0.91 0.96 0.00 0.00 29 V 8.46 4.16 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 0.66 0.00 0.00 1.00 0.00 0.00 30 K 7.70 4.67 0.00 1.80 1.61 0.00 1.67 0.00 0.00 1.88 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.43 7.81 31 V 8.26 5.03 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 0.75 0.00 0.00 1.00 0.00 0.00 32 N 9.04 4.10 0.00 3.09 3.12 0.00 0.00 7.01 7.11 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 33 E 9.12 4.08 0.00 1.97 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 2.31 1.94 0.00 34 Y 7.90 4.19 0.00 2.85 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 35 F 8.29 4.30 0.00 3.17 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 36 E 8.01 4.06 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 37 S 7.72 4.61 0.00 4.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.01 4.51 0.00 1.52 1.68 0.00 2.98 0.00 0.00 3.02 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.54 0.00 39 V 7.67 4.98 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 0.74 0.00 0.00 0.93 0.00 0.00 40 I 7.77 3.07 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 1.23 1.01 0.91 0.00 0.00 *43 G 8.23 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 44 E 7.87 4.11 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.90 0.00 45 T 7.03 4.01 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 1.18 0.00 0.00 *47 Q 8.66 3.88 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.42 0.00 0.00 0.00 0.00 0.00 2.23 2.41 0.00 48 G 9.72 3.72 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 0.00 0.00 0.00 49 K 7.17 4.31 0.00 1.87 1.88 0.00 1.52 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.33 1.33 7.81 50 N 8.39 5.07 0.00 2.80 2.78 0.00 0.00 6.92 7.62 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 51 I 8.32 3.86 2.01 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 1.60 1.24 1.13 0.00 0.00 52 L 7.95 4.06 0.00 1.64 1.66 0.18 0.72 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 53 E 8.28 4.13 0.00 1.91 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 2.29 2.37 0.00 54 L 7.47 3.96 0.00 1.60 0.76 0.77 0.27 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 55 F 7.99 5.01 0.00 3.15 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 56 P 0.00 4.43 0.00 2.18 2.11 0.00 3.61 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 57 E 8.26 4.18 0.00 2.01 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 2.35 2.43 0.00 58 S 8.70 4.71 0.00 3.79 3.72 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 59 A 8.07 4.04 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.07 4.26 0.00 2.82 2.73 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 61 Y 8.08 3.95 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.30 4.10 0.00 1.79 1.77 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.04 3.78 0.00 1.83 1.78 0.00 1.51 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.74 1.00 7.81 64 R 7.76 4.01 0.00 1.86 1.96 0.00 3.07 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 65 K 7.94 4.16 0.00 2.08 1.94 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.89 7.81 66 I 8.19 3.90 2.25 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.34 1.00 0.00 0.00 67 D 8.95 4.48 0.00 2.91 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 68 T 8.50 3.85 4.46 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 0.00 0.00 0.00 1.23 0.00 0.00 69 A 7.61 4.18 1.44 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 70 L 7.70 4.20 0.00 1.81 1.79 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.37 3.90 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 0.86 0.00 0.00 0.94 0.00 0.00 72 I 7.96 3.80 1.88 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 1.54 0.71 0.96 0.00 0.00 73 E 8.69 3.87 0.00 2.16 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 0.00 2.34 2.47 0.00 74 S 7.58 4.74 0.00 3.82 3.74 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 75 S 8.81 5.34 0.00 3.80 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 76 S 8.71 4.99 0.00 3.92 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 F 8.67 5.09 0.00 2.99 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 78 S 8.46 4.73 0.00 3.79 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 79 S 9.00 4.08 0.00 3.83 3.34 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 *81 E 9.38 4.01 0.00 1.96 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 2.21 1.88 0.00 82 Q 7.90 4.55 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.36 0.00 0.00 0.00 0.00 0.00 2.25 1.91 0.00 83 K 8.23 4.47 0.00 1.67 1.64 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.27 1.20 7.81 84 P 0.00 4.73 0.00 2.03 1.78 0.00 3.70 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 1.83 1.56 0.00 *85 H 8.39 4.81 0.00 2.83 3.03 0.00 7.15 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.46 4.92 0.00 1.59 1.50 0.77 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 *103 Y 7.59 4.73 0.00 3.16 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 0.00 104 Q 8.09 5.29 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 105 N 8.98 5.10 0.00 2.71 2.38 0.00 0.00 6.24 6.08 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 0.00 106 L 7.99 5.27 0.00 1.58 1.38 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 107 E 9.16 5.37 0.00 2.40 1.91 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 2.37 2.41 0.00 108 V 8.54 4.87 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 1.03 0.00 0.00 1.01 0.00 0.00 109 I 8.84 4.94 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.82 0.96 0.00 0.00 110 P 0.00 4.80 0.00 1.97 2.03 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 111 I 9.14 4.45 1.91 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 1.26 1.25 0.94 0.00 0.00 112 H 8.81 4.72 0.00 3.13 3.26 0.00 5.90 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.98 4.49 0.00 4.13 3.82 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 0.00 0.00 0.00 114 E 8.72 4.00 0.00 1.96 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 2.33 2.32 0.00 115 D 7.98 4.41 0.00 2.79 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 0.00 116 G 7.78 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 0.00 0.00 0.00 117 T 8.30 4.20 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 1.22 0.00 0.00 118 I 8.27 4.43 1.83 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.75 0.89 0.00 0.00 119 E 8.73 4.71 0.00 1.60 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 2.19 1.87 0.00 120 H 7.98 5.43 0.00 3.08 3.16 0.00 5.72 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 0.00 121 V 8.76 4.92 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 0.75 0.00 0.00 0.98 0.00 0.00 122 C 9.50 4.82 0.00 3.01 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 0.00 123 L 9.12 5.36 0.00 1.86 1.63 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 124 C 9.23 5.42 0.00 2.78 2.44 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 0.00 125 V 8.32 4.69 1.76 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 0.96 0.00 0.00 0.74 0.00 0.00 126 Y 8.85 5.03 0.00 2.91 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 0.00 127 D 8.86 4.95 0.00 2.65 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 V 8.33 4.05 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 0.61 0.00 0.00 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.