NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 4.9566 8.1827 122.8309 58.5137 41.2129 175.9482 4 E 3.4869 7.5882 118.1117 55.2672 29.3858 175.2280 5 Y 4.1644 8.0656 119.4129 58.6155 37.7640 173.5740 6 N 4.4524 7.9130 122.7158 51.2610 38.3213 175.9752 7 E 3.5389 8.2043 126.8932 59.5137 29.4603 179.7307 8 K 4.0278 7.9066 126.5034 59.9978 31.8328 184.7859 9 V 3.8800 7.6139 119.5500 66.0129 31.5196 180.1918 10 L 4.3240 7.9879 120.1719 58.0621 40.7662 179.4436 11 D 4.2340 7.8905 117.3066 57.6121 41.2671 177.9854 12 H 4.9100 8.0984 116.4199 58.6304 28.4516 177.6552 13 F 4.2801 8.8855 122.6521 61.3075 39.3893 177.0484 14 L 3.8623 8.4073 117.6776 56.4912 42.8358 177.5522 15 N 4.9346 8.9943 115.5729 50.2149 38.5371 171.9334 16 P 4.9172 0.0000 0.0000 62.0327 32.6404 177.0476 17 R 4.4970 9.2619 121.2956 55.9894 31.8538 175.9274 18 N 4.1459 8.5277 116.8478 54.3258 35.9333 174.2785 19 V 3.5037 7.8620 117.0279 60.8652 32.8106 176.3225 20 G 3.5404 6.4740 114.1643 45.2788 0.0000 171.9208 21 V 4.1034 7.5377 122.0712 61.1035 33.5415 175.6659 22 L 4.1221 8.7066 129.3160 54.4921 41.5330 178.2984 23 E 4.0278 8.9045 123.3172 58.6618 29.8002 177.1991 24 D 4.8169 7.8490 116.9714 52.6865 39.9477 176.1352 25 A 4.2331 7.6501 122.7920 53.3194 18.4229 177.9389 26 N 5.0581 9.1746 118.3973 52.4498 39.0594 174.1520 27 G 4.5576 7.8575 106.7787 45.0834 0.0000 172.0625 28 V 5.0532 9.5308 124.7906 61.2234 35.1456 174.3483 29 G 4.5328 9.5954 114.3276 44.8147 0.0000 171.2762 30 Q 5.8529 8.5261 119.6506 53.5462 32.9551 175.0264 31 C 5.1048 8.8341 118.6114 55.6631 45.2218 173.0508 32 G 4.6106 8.5548 106.7169 44.8470 0.0000 171.2629 33 N 5.1929 8.7982 121.6818 50.7754 40.4978 174.0049 34 P 4.2683 0.0000 0.0000 65.0513 31.9696 177.5797 35 A 4.1028 8.5823 122.8056 54.7099 17.3876 177.9768 36 C 4.4964 8.0711 108.4610 57.2807 31.0649 175.0606 37 G 3.7196 8.3913 108.1844 46.1995 0.0000 173.0604 38 A 4.7568 7.3510 118.1548 50.5564 20.6331 177.1593 39 A 5.3161 8.6098 121.2182 50.4229 23.0626 174.8874 40 M 5.2246 9.2705 119.8979 53.4743 36.0947 174.7196 41 L 5.3928 8.9609 123.2910 53.5515 45.6108 174.9903 42 F 5.4042 9.7528 125.4144 55.8604 42.4256 174.5251 43 T 5.3454 9.2376 112.8211 59.9615 72.0089 172.8339 44 I 5.0736 9.0455 117.4671 59.0943 41.9053 174.1783 45 K 4.7717 9.1953 126.0749 55.0305 33.7761 174.4443 46 V 4.6275 9.2605 128.8711 60.7966 33.3765 174.7796 47 N 4.5748 8.9802 127.3789 52.7751 39.0022 174.0288 48 P 4.6477 0.0000 0.0000 64.5023 31.6812 177.4603 49 E 4.3237 9.0501 117.3180 57.8932 29.7390 177.3109 50 N 4.9179 7.8507 112.5753 52.0957 38.7933 173.5742 51 D 4.4831 8.4433 116.4768 55.4728 39.4652 172.8243 52 V 4.1869 8.1363 119.6531 62.5040 33.0310 175.5023 53 I 4.1056 8.9055 131.8394 61.7228 36.5665 177.1505 54 E 4.0422 8.8765 126.4250 59.1808 30.1912 174.4869 55 D 4.9747 7.8832 118.3338 52.7863 45.1866 174.2734 56 V 5.0961 8.0853 121.0952 60.7438 34.4163 173.6112 57 R 5.0591 9.3679 121.6161 54.6469 34.8738 173.9816 58 F 5.0217 8.4744 115.3370 55.0908 41.9876 173.4549 59 K 4.3264 8.8661 120.7441 55.3483 35.6926 174.8188 60 T 4.7395 7.5688 119.7740 61.6345 70.5183 171.8246 61 F 4.6237 8.2885 122.3613 57.1925 42.6835 174.5182 62 G 4.2491 9.6214 117.4997 45.9872 0.0000 173.7027 63 C 4.4393 7.8834 122.2066 57.6990 32.4700 174.5647 64 G 3.5809 8.6267 116.0412 47.7837 0.0000 175.0154 65 S 4.0332 7.9258 116.6383 61.4968 63.0416 176.1186 66 A 4.0049 8.0780 122.8733 55.4265 17.9955 179.6082 67 I 3.8441 7.8006 117.2500 64.4982 37.2911 178.4665 68 A 4.0713 8.2149 121.5611 55.4258 18.2432 179.9580 69 V 3.5177 8.1973 117.0806 66.1438 31.0256 178.4033 70 S 3.9562 7.9674 115.0095 60.8961 62.3393 176.5426 71 S 4.1945 7.6570 116.0364 61.5546 62.2097 175.6863 72 M 3.7966 7.5656 120.7562 58.4921 31.9306 177.5874 73 L 3.9165 7.9436 120.6793 58.6967 42.1530 179.1752 74 T 4.0416 8.1697 109.5169 64.9034 68.2335 176.1037 75 E 4.0527 7.7240 120.8064 59.4586 29.5894 178.7177 76 M 4.2862 7.8998 118.0602 58.1987 32.3688 178.5802 77 V 4.2790 7.9540 111.7886 61.5442 32.0415 176.3429 78 K 4.0878 7.2769 120.3507 58.0136 32.1976 176.7688 79 G 3.9404 9.6084 114.8416 45.2396 0.0000 172.7264 80 K 4.6147 7.7395 118.3149 53.1718 35.6795 174.0862 81 P 4.8762 0.0000 0.0000 62.4268 32.0183 177.9245 82 I 3.7978 8.6412 115.8076 64.2347 36.9794 178.6565 83 Q 3.9854 8.0832 118.7899 58.9657 28.8995 177.5758 84 Y 4.2071 7.9291 119.6954 60.7384 38.9171 177.9399 85 A 3.8182 8.1859 120.9596 55.3960 18.3124 179.5271 86 L 3.7583 8.0216 116.0430 57.5506 41.6816 178.9898 87 N 4.4322 7.6575 115.1281 54.0727 38.9432 175.7386 88 L 3.9632 6.7252 120.1385 55.0596 42.4462 176.2610 89 T 4.7324 8.2113 117.1514 61.0062 72.2944 174.9456 90 Y 4.2523 8.3219 121.0662 59.8171 37.9200 178.3096 91 K 3.2055 7.0094 120.4059 59.6134 32.6152 178.6290 92 D 4.5049 7.8920 120.2742 56.9734 40.8526 178.5499 93 I 3.9225 7.6246 119.7383 64.1901 37.2522 176.9891 94 F 4.1950 9.1116 123.1448 60.9800 39.0835 176.5218 95 E 3.8937 9.4011 117.9951 59.7651 29.4101 179.3267 96 E 3.9707 8.1526 117.8692 58.8546 29.7759 177.9660 97 L 4.3844 7.7018 116.1973 54.0117 42.2918 176.5599 98 G 3.5099 7.7588 107.0464 46.2281 0.0000 174.2006 99 G 3.0288 8.4300 105.6694 45.3055 0.0000 173.8507 100 L 4.6381 7.5578 119.7746 51.9245 46.0566 174.2034 101 P 4.4546 0.0000 0.0000 62.0740 31.6928 175.5567 102 P 4.3933 0.0000 0.0000 64.8128 31.5288 177.4054 103 Q 4.1224 8.0561 118.9572 58.9648 28.8413 177.0373 104 K 4.6417 7.9869 116.8866 57.0616 33.2376 179.4098 105 I 3.6615 7.3595 122.5384 64.2314 37.2149 177.1998 106 H 4.2418 8.0354 118.5617 59.4798 29.4008 176.9706 107 C 3.9838 7.7638 118.1276 62.8182 27.9985 175.9995 108 T 4.0106 7.4025 116.1297 66.5919 68.1148 176.7659 109 N 4.3853 8.7035 118.6480 55.7620 38.4212 177.2664 110 L 4.0036 7.6933 122.4657 58.1274 42.2047 179.3158 111 G 3.6819 7.4484 107.0091 47.1155 0.0000 175.6752 112 L 3.7303 7.7407 121.4739 57.6089 41.6973 179.5258 113 E 3.8438 8.5430 118.6967 59.6588 29.3226 179.6636 114 T 3.8554 7.7233 115.8791 66.1889 68.4915 176.5320 115 L 3.2970 7.1124 122.2682 58.3010 41.9497 178.7752 116 H 4.1913 7.8716 116.0401 58.9980 28.5542 178.0236 117 V 3.5987 7.9359 119.7373 65.7533 31.2018 178.0279 118 A 4.2485 7.9413 122.1009 54.6269 18.1988 179.5866 119 I 3.7351 7.8520 118.3926 64.4126 37.1314 178.5090 120 K 3.9232 8.4302 120.7674 59.6209 32.0011 178.1965 121 D 4.3356 8.3661 118.5237 57.4487 40.8767 177.5980 122 Y 4.3720 8.2765 121.4417 60.2020 38.8810 177.8351 123 L 3.5650 8.0573 119.9094 58.0714 41.7924 179.3756 124 M 3.9941 8.0822 118.3148 58.5779 31.7941 179.0637 125 K 4.0962 8.0038 116.2687 58.6020 32.2527 178.4932 126 Q 4.2304 7.7079 117.0246 55.9321 29.0939 176.6518 127 G 3.8879 7.8950 108.0923 45.5168 0.0000 175.0048 128 R 4.2683 7.3409 120.6517 55.1395 26.9498 177.2990 129 V 3.6049 7.3620 120.8616 65.8696 31.9302 176.7472 130 E 3.9195 7.9965 117.1629 59.5350 29.7705 178.5929 131 E 4.0833 8.1409 117.7002 59.4075 29.5095 179.1220 132 A 4.0178 8.0043 121.0230 55.1867 18.2471 179.7315 133 S 4.0691 7.9456 111.3967 61.1004 62.9463 176.1854 134 K 4.2800 7.8773 120.4895 56.3929 32.1619 176.5141 135 I 4.2449 7.2882 121.6518 58.8827 37.9366 174.1087 136 P 4.4405 0.0000 0.0000 62.4160 31.9442 175.7376 137 D 4.5570 8.2478 119.7747 53.3134 41.7218 176.1885 138 C 4.3027 8.6415 119.9205 59.0212 39.7662 174.3232 *139 Y 4.7301 8.5051 124.5274 56.0627 41.4992 173.9757 140 E 4.4325 8.5763 126.6753 57.8093 29.3355 175.1385 141 E 4.2503 9.2073 114.0252 58.1925 28.7170 172.6517 142 E 4.2507 7.9639 116.1356 56.7863 29.6845 181.5417 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 3 F 8.18 4.96 0.00 3.06 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 4 E 7.59 3.49 0.00 1.53 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 2.00 2.10 0.00 5 Y 8.07 4.16 0.00 2.97 2.93 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 6 N 7.91 4.45 0.00 2.70 2.69 0.00 0.00 7.01 7.66 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 7 E 8.20 3.54 0.00 1.86 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 1.84 2.18 0.00 8 K 7.91 4.03 0.00 1.76 1.77 0.00 1.81 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.07 7.81 9 V 7.61 3.88 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 0.79 0.00 0.00 0.93 0.00 0.00 10 L 7.99 4.32 0.00 1.75 1.80 1.08 1.18 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 11 D 7.89 4.23 0.00 2.70 2.56 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 12 H 8.10 4.91 0.00 3.42 3.46 0.00 5.67 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 13 F 8.89 4.28 0.00 2.94 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 14 L 8.41 3.86 0.00 1.67 1.65 1.02 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.99 4.93 0.00 2.83 2.69 0.00 0.00 7.13 7.90 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 16 P 0.00 4.92 0.00 2.25 2.22 0.00 3.34 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.86 0.00 17 R 9.26 4.50 0.00 1.87 1.95 0.00 3.37 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.65 0.00 18 N 8.53 4.15 0.00 3.11 3.10 0.00 0.00 6.72 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 19 V 7.86 3.50 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 0.41 0.00 0.00 0.53 0.00 0.00 20 G 6.47 3.54 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 0.00 21 V 7.54 4.10 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 0.83 0.00 0.00 0.89 0.00 0.00 22 L 8.71 4.12 0.00 1.76 1.60 0.99 0.59 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 23 E 8.90 4.03 0.00 2.05 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 0.00 2.27 2.35 0.00 24 D 7.85 4.82 0.00 2.81 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 25 A 7.65 4.23 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 26 N 9.17 5.06 0.00 2.88 3.08 0.00 0.00 6.47 6.83 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 27 G 7.86 4.56 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 0.00 0.00 0.00 28 V 9.53 5.05 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 1.00 0.00 0.00 0.98 0.00 0.00 29 G 9.60 4.53 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 0.00 30 Q 8.53 5.85 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 31 C 8.83 5.10 0.00 2.85 2.92 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 32 G 8.55 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 33 N 8.80 5.19 0.00 2.85 2.75 0.00 0.00 7.01 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 34 P 0.00 4.27 0.00 2.22 2.17 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 35 A 8.58 4.10 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 36 C 8.07 4.50 0.00 3.14 3.22 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 0.00 37 G 8.39 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 38 A 7.35 4.76 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 39 A 8.61 5.32 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 40 M 9.27 5.22 0.00 2.12 2.05 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 2.63 2.71 0.00 41 L 8.96 5.39 0.00 1.75 1.49 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 42 F 9.75 5.40 0.00 2.98 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 43 T 9.24 5.35 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 44 I 9.05 5.07 1.85 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 1.31 0.67 1.02 0.00 0.00 45 K 9.20 4.77 0.00 1.78 1.70 0.00 1.64 0.00 0.00 1.80 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.46 7.81 46 V 9.26 4.63 0.91 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 0.46 0.00 0.00 0.47 0.00 0.00 47 N 8.98 4.57 0.00 2.80 2.90 0.00 0.00 6.90 8.41 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 48 P 0.00 4.65 0.00 2.14 2.40 0.00 3.83 0.00 0.00 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.26 0.00 49 E 9.05 4.32 0.00 2.10 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 2.34 2.40 0.00 50 N 7.85 4.92 0.00 2.75 2.83 0.00 0.00 6.19 8.06 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 51 D 8.44 4.48 0.00 2.92 2.80 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 52 V 8.14 4.19 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 1.02 0.00 0.00 1.01 0.00 0.00 53 I 8.91 4.11 2.09 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 1.01 0.55 0.92 0.00 0.00 54 E 8.88 4.04 0.00 1.77 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 2.13 0.00 55 D 7.88 4.97 0.00 2.65 2.46 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 0.00 56 V 8.09 5.10 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 0.79 0.00 0.00 1.17 0.00 0.00 57 R 9.37 5.06 0.00 1.58 1.70 0.00 3.25 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 58 F 8.47 5.02 0.00 2.12 1.68 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 59 K 8.87 4.33 0.00 1.57 1.45 0.00 1.10 0.00 0.00 1.01 0.00 0.00 2.53 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.02 1.36 7.81 60 T 7.57 4.74 4.35 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 1.32 0.00 0.00 61 F 8.29 4.62 0.00 2.95 2.90 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 62 G 9.62 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 0.00 0.00 0.00 63 C 7.88 4.44 0.00 3.03 2.87 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 64 G 8.63 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 0.00 0.00 0.00 65 S 7.93 4.03 0.00 3.82 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 66 A 8.08 4.00 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 67 I 7.80 3.84 2.29 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 1.64 1.25 1.12 0.00 0.00 68 A 8.21 4.07 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.20 3.52 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 1.07 0.00 0.00 0.94 0.00 0.00 70 S 7.97 3.96 0.00 3.27 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 71 S 7.66 4.19 0.00 4.12 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 0.00 72 M 7.57 3.80 0.00 2.22 1.82 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 73 L 7.94 3.92 0.00 1.94 1.83 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.17 4.04 4.32 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 1.36 0.00 0.00 75 E 7.72 4.05 0.00 2.11 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 0.00 2.37 2.39 0.00 76 M 7.90 4.29 0.00 2.18 2.34 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.64 0.00 77 V 7.95 4.28 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 0.91 0.00 0.00 1.11 0.00 0.00 78 K 7.28 4.09 0.00 1.85 1.76 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.19 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.41 7.81 79 G 9.61 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 80 K 7.74 4.61 0.00 1.82 1.39 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.64 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.07 1.15 7.81 81 P 0.00 4.88 0.00 2.23 2.00 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 82 I 8.64 3.80 1.91 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.26 0.88 0.00 0.00 83 Q 8.08 3.99 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.06 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 84 Y 7.93 4.21 0.00 3.07 3.21 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 85 A 8.19 3.82 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 86 L 8.02 3.76 0.00 1.65 1.60 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 87 N 7.66 4.43 0.00 2.76 2.75 0.00 0.00 7.02 7.87 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 88 L 6.73 3.96 0.00 1.68 1.48 0.80 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.21 4.73 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 0.95 0.00 0.00 90 Y 8.32 4.25 0.00 3.24 3.22 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 0.00 91 K 7.01 3.21 0.00 1.55 1.26 0.00 1.26 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.17 1.33 7.81 92 D 7.89 4.50 0.00 2.88 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 93 I 7.62 3.92 2.09 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 1.53 0.98 0.93 0.00 0.00 94 F 9.11 4.19 0.00 3.29 3.10 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 95 E 9.40 3.89 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 2.64 2.93 0.00 96 E 8.15 3.97 0.00 2.15 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 2.34 2.41 0.00 97 L 7.70 4.38 0.00 1.78 1.60 0.90 0.82 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 98 G 7.76 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.43 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 0.00 0.00 0.00 100 L 7.56 4.64 0.00 1.73 1.58 0.93 0.97 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 0.00 101 P 0.00 4.45 0.00 2.45 2.29 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.86 0.00 102 P 0.00 4.39 0.00 2.19 2.24 0.00 3.83 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 103 Q 8.06 4.12 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 7.23 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 104 K 7.99 4.64 0.00 1.78 1.75 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.42 7.81 105 I 7.36 3.66 1.71 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.35 0.30 0.00 0.00 106 H 8.04 4.24 0.00 3.18 3.26 0.00 5.86 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 C 7.76 3.98 0.00 3.06 2.87 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 0.00 108 T 7.40 4.01 4.32 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 1.31 0.00 0.00 109 N 8.70 4.39 0.00 2.84 2.85 0.00 0.00 6.65 6.63 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 0.00 110 L 7.69 4.00 0.00 1.69 1.80 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 111 G 7.45 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 0.00 0.00 0.00 112 L 7.74 3.73 0.00 1.75 1.53 0.99 0.89 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 0.00 113 E 8.54 3.84 0.00 1.94 1.95 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 2.37 2.47 0.00 114 T 7.72 3.86 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 1.56 0.00 0.00 115 L 7.11 3.30 0.00 1.06 1.45 0.86 0.89 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 0.00 116 H 7.87 4.19 0.00 3.32 3.28 0.00 5.69 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 0.00 117 V 7.94 3.60 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 1.12 0.00 0.00 1.02 0.00 0.00 118 A 7.94 4.25 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 0.00 119 I 7.85 3.74 2.08 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 1.68 0.85 1.01 0.00 0.00 120 K 8.43 3.92 0.00 1.90 2.03 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.45 1.58 7.81 121 D 8.37 4.34 0.00 2.89 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 0.00 122 Y 8.28 4.37 0.00 3.09 3.28 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 0.00 123 L 8.06 3.56 0.00 1.94 1.76 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 124 M 8.08 3.99 0.00 2.00 2.28 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.87 0.00 125 K 8.00 4.10 0.00 1.85 1.88 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.49 1.59 7.81 126 Q 7.71 4.23 0.00 1.88 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.53 0.00 0.00 0.00 0.00 0.00 1.93 1.64 0.00 127 G 7.89 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 0.00 0.00 0.00 128 R 7.34 4.27 0.00 1.85 1.96 0.00 3.07 0.00 0.00 3.07 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 129 V 7.36 3.60 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 1.06 0.00 0.00 0.91 0.00 0.00 130 E 8.00 3.92 0.00 1.96 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 0.00 2.30 2.34 0.00 131 E 8.14 4.08 0.00 1.99 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 2.40 2.37 0.00 132 A 8.00 4.02 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 0.00 133 S 7.95 4.07 0.00 4.05 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 0.00 134 K 7.88 4.28 0.00 1.97 1.89 0.00 1.57 0.00 0.00 1.84 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.51 7.81 135 I 7.29 4.24 1.87 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 1.35 0.79 0.91 0.00 0.00 136 P 0.00 4.44 0.00 2.18 2.05 0.00 3.75 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 137 D 8.25 4.56 0.00 2.70 2.67 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 0.00 138 C 8.64 4.30 0.00 2.96 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 *139 Y 8.51 4.73 0.00 2.33 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 0.00 0.00 0.00 0.00 140 E 8.58 4.43 0.00 1.98 1.63 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 2.23 1.87 0.00 141 E 9.21 4.25 0.00 2.11 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 2.08 1.83 0.00 142 E 7.96 4.25 0.00 1.98 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 0.00 2.23 1.88 0.00 * Residues marked with a * may have inaccurate shift predictions.