NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6755 8.3049 120.3453 54.4889 33.6622 174.8339 2 R 5.1750 7.1763 114.4107 54.3364 34.2516 172.8321 3 I 3.9334 8.8730 122.0329 61.2001 39.0407 174.7560 4 Y 5.0409 8.2718 125.3155 59.1268 40.6481 174.7311 5 Y 5.1406 8.3277 119.1474 56.4943 42.8475 173.7548 6 I 4.8857 8.1639 124.7932 59.4121 42.6290 175.4551 7 G 3.9026 7.4307 108.8822 46.4977 0.0000 171.2856 8 V 4.6801 6.6289 117.8879 61.7671 35.4232 174.9920 9 F 5.2090 8.9379 125.1240 56.4486 43.4535 173.9897 10 R 4.1239 8.8205 125.3788 55.9410 31.3233 175.6110 11 S 4.4469 8.2227 122.3865 58.7185 62.7529 174.3712 12 G 4.1318 8.5908 119.6564 45.3731 0.0000 173.9149 13 G 3.7022 9.2989 112.0821 45.7697 0.0000 174.3061 14 E 4.0611 9.2489 121.1054 58.2058 30.4612 176.4021 15 K 4.7534 7.8215 115.0525 53.9001 35.8846 173.6107 16 A 4.7819 8.1217 120.0906 50.3409 20.4382 176.8704 17 L 3.9679 9.3157 125.3352 55.1363 43.1800 175.1826 18 E 4.3626 9.1031 127.3089 57.2467 29.9732 178.0007 19 L 4.0026 8.5887 128.0235 57.4541 42.5381 177.0975 20 S 4.5913 6.8601 111.4173 57.0889 66.3776 172.8606 21 E 5.1530 8.9302 121.1836 53.6085 32.4990 175.3451 22 V 4.3973 8.1752 124.8049 59.6049 34.2079 175.0108 23 K 4.9208 8.5864 121.8398 54.5597 36.1962 175.2415 24 D 4.7068 9.5138 121.5966 52.7738 43.5340 174.8543 25 L 5.3949 8.5180 127.7593 53.5246 41.4826 176.4127 26 S 4.3765 7.9183 117.4755 60.8987 63.8932 176.2470 27 Q 3.9512 7.1089 116.3113 57.2744 28.9221 176.0997 28 F 4.8722 6.1116 116.5350 55.3451 39.9494 176.2258 29 G 3.6678 8.0818 114.8637 44.7712 0.0000 173.5683 30 F 4.2653 8.7168 113.6787 59.4520 38.2402 176.3599 31 F 4.5008 6.5776 115.5103 58.7001 38.8498 177.4797 32 E 3.7234 6.3770 121.5254 58.8407 29.4162 178.4595 33 R 3.9459 8.3060 116.5797 59.6211 29.1966 178.6842 34 S 4.0450 7.6733 112.1281 61.3734 62.5329 176.3222 35 S 4.0735 7.9280 117.2868 61.6801 62.6712 176.8020 36 V 3.6586 8.2357 121.4288 65.6259 31.0915 178.1715 37 G 3.6976 8.3195 106.0718 47.9740 0.0000 175.3430 38 Q 4.0339 8.0108 122.0044 58.7153 29.0498 178.0762 39 F 4.2607 8.0690 121.5943 61.7298 39.4326 176.8105 40 M 3.9034 8.4935 118.5489 58.7081 31.7108 178.6496 41 T 3.3508 7.8197 115.3660 66.7562 68.8275 176.1960 42 F 4.1346 8.3102 123.5989 60.7957 39.2430 177.0511 43 F 4.5109 8.4208 119.7878 61.1796 39.3432 177.2045 44 A 3.6597 8.1803 121.1856 54.6901 17.7299 179.4351 45 E 3.0596 8.3134 116.8254 59.2334 29.6059 179.6062 46 T 3.6398 7.3348 116.5464 66.3773 68.4669 176.7705 47 V 3.7022 7.6311 114.0059 64.6359 31.4171 178.5072 48 A 3.8032 7.2435 118.3080 55.1287 18.3953 179.4498 49 S 4.1265 7.7796 112.0401 61.4755 62.3532 176.4190 50 R 4.2648 8.4922 117.9680 57.5164 29.4432 176.5133 51 T 4.6649 7.5294 116.8327 61.7833 67.9273 174.6974 52 G 3.7610 8.6865 118.2354 45.5985 0.0000 169.0498 53 A 3.5764 8.7674 128.9976 52.1712 18.7259 179.5225 54 G 4.0396 8.7529 108.7092 45.4829 0.0000 172.7124 55 E 4.8303 7.6131 116.6681 54.5587 33.5781 174.5654 56 R 4.5916 8.3859 118.0595 54.5194 33.4068 175.7307 57 Q 4.3453 8.2491 119.6319 54.4206 32.9753 174.2906 58 S 4.6539 8.7144 120.4976 56.5650 65.0264 173.9173 59 I 4.0016 8.1421 120.6011 59.8477 38.4676 175.4022 60 E 4.4587 8.7433 128.2196 55.5821 29.3924 175.9958 61 E 4.6033 8.9679 125.9774 54.0153 32.5487 176.0328 62 G 4.0308 8.1754 110.7717 43.9167 0.0000 172.2720 63 N 4.2681 7.5226 125.0029 53.9566 42.4853 172.6884 64 Y 4.9559 6.2868 114.8096 56.6556 42.0897 173.3809 65 I 4.7918 9.2609 120.1344 59.7794 40.6022 175.6319 66 G 4.3159 8.1899 110.3677 44.1209 0.0000 171.6590 67 H 4.8608 8.6774 122.1671 56.6046 30.7394 174.6661 68 V 4.6870 8.1294 119.9618 61.7237 35.7464 173.6378 69 Y 4.5057 8.7896 123.6683 56.5876 41.4524 174.2104 70 A 4.8303 8.4447 126.1273 50.7403 21.5044 176.4744 71 R 4.4314 7.7983 116.0048 54.5222 33.2324 176.5193 72 S 5.1679 8.4154 112.1287 59.0242 62.8521 174.4351 73 E 4.5967 9.5379 118.5553 56.9594 31.6189 176.4192 74 G 3.8928 7.5507 112.4264 45.9170 0.0000 171.8502 75 I 4.6069 7.6849 122.6061 59.3497 39.8781 174.4848 76 C 4.8695 8.6334 123.9108 56.5079 33.1822 172.5426 77 G 4.4654 8.5136 105.8347 44.3843 0.0000 172.2912 78 V 4.8174 8.5402 121.4008 60.7816 35.1648 174.5491 79 L 4.5486 9.2683 128.2036 53.5549 44.6122 174.5376 80 I 4.5934 8.7353 128.0077 59.9982 38.8827 175.0879 81 T 4.7589 8.3337 120.9657 59.8215 71.7841 172.3389 82 D 4.9691 7.9613 123.7563 53.8410 41.9857 177.1263 83 K 4.0960 8.9150 123.0883 59.2521 32.3163 176.9650 84 Q 4.5002 8.0594 116.5993 56.2234 28.5468 175.6588 85 Y 4.7408 7.6068 119.1034 53.3679 39.3144 172.9442 86 P 4.4939 0.0000 0.0000 62.4603 32.4573 177.7928 87 V 3.4245 8.3694 118.3892 65.6451 31.3976 178.3488 88 R 4.0138 8.1252 118.0778 58.9690 30.0326 177.0216 89 P 4.3888 0.0000 0.0000 65.8068 31.3389 178.1872 90 A 4.3503 7.9003 120.3116 54.8921 18.2259 179.0597 91 Y 2.4460 8.3925 118.8118 60.7874 38.9496 178.1880 92 T 3.9248 8.0157 116.7091 66.4634 68.5666 176.4224 93 L 3.9429 8.3447 122.4461 58.1131 42.3633 178.5607 94 L 4.0491 8.1021 119.2137 56.5544 41.9592 178.2214 95 N 4.2323 7.8155 117.2598 57.3771 39.1055 176.9528 96 K 3.9942 7.9568 119.8058 59.1500 32.0943 179.2677 97 I 3.4423 7.6098 118.9142 64.0657 38.0729 177.9148 98 L 3.8984 7.6155 119.2606 58.0684 41.4531 179.4503 99 D 4.4707 8.0706 118.5622 57.1411 40.6681 178.4739 100 E 3.9458 8.5033 120.6002 59.3008 29.3876 178.2024 101 Y 3.8570 8.2122 119.2565 60.5138 38.8529 177.6711 102 L 4.8674 7.7266 118.7378 57.3298 41.8922 179.3681 103 V 3.7872 7.6675 117.9765 65.9525 31.4672 177.7378 104 A 3.9410 7.5734 119.2876 54.3997 18.2991 177.3933 105 H 4.5074 7.9729 108.5815 54.4260 32.0249 171.7869 106 P 4.1125 0.0000 0.0000 61.1995 32.7276 176.7236 107 K 2.7996 8.7744 121.2383 59.5422 31.9864 179.2886 108 E 3.6355 7.4754 115.6153 58.5239 29.8308 177.5637 109 E 3.8982 7.1992 119.4882 58.6437 30.0020 177.8422 110 W 4.3918 7.1247 114.1080 58.5786 29.7042 176.6165 111 A 3.8125 8.0615 119.7016 52.6430 16.0754 174.4637 112 D 4.9411 8.6936 123.0853 52.9941 38.8480 173.3963 113 V 3.4079 8.4506 124.2873 62.9845 30.5955 172.0452 114 T 4.4138 8.5322 115.9416 61.5376 68.7625 175.1945 115 E 4.5210 7.6520 118.2132 56.7622 30.1847 174.2077 116 T 4.6508 7.7597 120.7421 62.1852 73.0448 172.1195 117 N 4.6431 8.0207 119.0637 53.5827 41.2271 174.1081 118 D 4.3453 7.9190 117.4573 56.4572 41.4558 177.9780 119 A 4.0632 8.2622 121.1943 55.6636 18.4555 178.6232 120 L 3.8877 7.6976 113.8723 56.9487 41.6856 178.8525 121 K 3.6992 7.4878 118.7581 56.2653 32.7873 174.4730 122 M 4.2818 8.4733 115.6713 53.4188 34.7057 175.7683 123 K 3.7975 8.7345 125.5196 60.3471 32.1018 177.9815 124 Q 3.8607 8.0407 119.8698 58.2588 28.9971 177.5477 125 L 3.9718 7.5767 120.4530 59.0339 40.4592 179.2837 126 D 4.2411 8.3396 119.7624 57.7211 41.0858 178.9300 127 T 4.0392 8.2053 116.1314 66.6062 68.2695 176.5354 128 Y 4.2563 8.8089 119.4657 61.2978 37.8294 177.9670 129 I 3.4038 7.6642 118.2003 64.0990 38.0117 177.7282 130 S 4.5646 8.1664 114.7777 60.7317 62.7995 175.8457 131 K 4.1918 8.0954 121.0092 59.6047 32.4828 178.2752 132 Y 4.0346 8.9007 117.4022 59.7563 37.9992 177.5652 133 Q 4.2290 8.3314 119.5072 59.5584 28.8362 177.4637 134 D 4.7751 7.4844 117.4441 53.2211 41.9492 173.9273 135 P 4.3808 0.0000 0.0000 66.2861 31.0765 177.7750 136 S 4.1446 7.4837 109.4274 57.3509 68.9473 174.1177 137 Q 3.1547 7.8229 116.4999 56.8219 25.8795 174.0610 138 A 4.0979 7.7584 117.4067 52.0613 17.8586 178.4346 139 D 4.1635 7.6321 119.4793 55.3303 39.5519 173.0411 140 A 4.2582 7.4397 125.3371 52.3370 19.2540 176.3104 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 M 8.30 4.68 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.82 0.00 2 R 7.18 5.17 0.00 1.83 1.63 0.00 3.46 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 3 I 8.87 3.93 1.49 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.19 1.00 0.00 0.00 4 Y 8.27 5.04 0.00 2.70 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 5 Y 8.33 5.14 0.00 2.97 2.64 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 0.00 6 I 8.16 4.89 1.69 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 1.08 0.47 0.86 0.00 0.00 7 G 7.43 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 0.00 0.00 0.00 8 V 6.63 4.68 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 0.69 0.00 0.00 0.71 0.00 0.00 9 F 8.94 5.21 0.00 2.71 2.99 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 10 R 8.82 4.12 0.00 1.81 1.77 0.00 3.44 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.84 0.00 11 S 8.22 4.45 0.00 3.63 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 12 G 8.59 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 13 G 9.30 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 9.25 4.06 0.00 1.96 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 15 K 7.82 4.75 0.00 1.70 1.79 0.00 1.65 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.29 7.81 16 A 8.12 4.78 1.20 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 0.00 0.00 17 L 9.32 3.97 0.00 1.73 1.64 1.03 1.17 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 18 E 9.10 4.36 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.82 0.00 19 L 8.59 4.00 0.00 1.32 1.24 0.74 -0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 20 S 6.86 4.59 0.00 3.78 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 21 E 8.93 5.15 0.00 1.84 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 2.54 2.17 0.00 22 V 8.18 4.40 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.86 0.00 0.00 23 K 8.59 4.92 0.00 1.68 1.86 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.28 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.62 1.73 7.81 24 D 9.51 4.71 0.00 2.69 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.52 5.39 0.00 1.79 1.89 1.02 1.11 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 26 S 7.92 4.38 0.00 3.77 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 27 Q 7.11 3.95 0.00 1.32 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.85 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 28 F 6.11 4.87 0.00 3.02 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 29 G 8.08 3.67 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 0.00 0.00 0.00 30 F 8.72 4.27 0.00 3.21 3.27 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 31 F 6.58 4.50 0.00 3.09 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 32 E 6.38 3.72 0.00 1.16 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 2.28 2.21 0.00 33 R 8.31 3.95 0.00 2.15 2.58 0.00 2.92 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.72 0.00 34 S 7.67 4.05 0.00 4.05 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 35 S 7.93 4.07 0.00 3.96 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 36 V 8.24 3.66 1.17 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 -0.07 0.00 0.00 0.53 0.00 0.00 37 G 8.32 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.01 4.03 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 39 F 8.07 4.26 0.00 3.21 3.01 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 40 M 8.49 3.90 0.00 1.96 2.32 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 41 T 7.82 3.35 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 1.48 0.00 0.00 42 F 8.31 4.13 0.00 3.39 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 43 F 8.42 4.51 0.00 3.50 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 44 A 8.18 3.66 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.31 3.06 0.00 1.97 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 2.19 1.91 0.00 46 T 7.33 3.64 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 1.24 0.00 0.00 47 V 7.63 3.70 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 0.65 0.00 0.00 0.74 0.00 0.00 48 A 7.24 3.80 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 49 S 7.78 4.13 0.00 4.05 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 50 R 8.49 4.26 0.00 1.88 2.01 0.00 3.06 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 51 T 7.53 4.66 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 1.28 0.00 0.00 52 G 8.69 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 53 A 8.77 3.58 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.75 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 55 E 7.61 4.83 0.00 1.90 1.99 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 2.15 2.26 0.00 56 R 8.39 4.59 0.00 1.42 1.36 0.00 2.86 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.48 0.00 57 Q 8.25 4.35 0.00 1.81 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 58 S 8.71 4.65 0.00 3.69 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 59 I 8.14 4.00 1.51 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.37 0.93 0.00 0.00 60 E 8.74 4.46 0.00 1.88 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 2.25 0.00 61 E 8.97 4.60 0.00 2.09 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 2.14 2.29 0.00 62 G 8.18 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 0.00 0.00 0.00 63 N 7.52 4.27 0.00 2.48 2.16 0.00 0.00 7.06 7.57 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 64 Y 6.29 4.96 0.00 3.53 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 9.26 4.79 1.94 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 1.18 0.68 0.57 0.00 0.00 66 G 8.19 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 0.00 0.00 0.00 0.00 67 H 8.68 4.86 0.00 3.33 3.26 0.00 5.59 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 8.13 4.69 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 0.80 0.00 0.00 0.82 0.00 0.00 69 Y 8.79 4.51 0.00 2.77 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.44 4.83 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 71 R 7.80 4.43 0.00 1.96 1.96 0.00 3.45 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 1.62 1.71 0.00 72 S 8.42 5.17 0.00 3.87 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 73 E 9.54 4.60 0.00 2.35 2.31 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 2.35 2.61 0.00 74 G 7.55 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 75 I 7.68 4.61 1.77 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.97 0.97 0.00 0.00 76 C 8.63 4.87 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 77 G 8.51 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.54 4.82 2.50 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 1.00 0.00 0.00 0.89 0.00 0.00 79 L 9.27 4.55 0.00 1.74 1.54 0.92 0.88 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 80 I 8.74 4.59 1.77 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.04 0.75 0.00 0.00 81 T 8.33 4.76 3.46 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 0.72 0.00 0.00 82 D 7.96 4.97 0.00 2.82 2.54 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 83 K 8.92 4.10 0.00 1.83 1.89 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.66 7.81 84 Q 8.06 4.50 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 85 Y 7.61 4.74 0.00 2.91 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 86 P 0.00 4.49 0.00 2.22 2.03 0.00 3.76 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 2.09 2.12 0.00 87 V 8.37 3.42 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 1.02 0.00 0.00 88 R 8.13 4.01 0.00 1.88 1.98 0.00 3.33 0.00 0.00 3.40 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.67 0.00 89 P 0.00 4.39 0.00 2.28 2.35 0.00 3.67 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 2.06 1.79 0.00 90 A 7.90 4.35 1.65 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 0.00 0.00 91 Y 8.39 2.45 0.00 3.15 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 92 T 8.02 3.92 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 1.32 0.00 0.00 93 L 8.34 3.94 0.00 1.20 1.55 0.49 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.10 4.05 0.00 1.67 1.18 1.00 0.55 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 95 N 7.82 4.23 0.00 3.16 2.95 0.00 0.00 7.34 6.29 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 96 K 7.96 3.99 0.00 1.94 1.55 0.00 1.74 0.00 0.00 1.92 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.63 1.55 7.81 97 I 7.61 3.44 1.81 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.88 0.86 0.00 0.00 98 L 7.62 3.90 0.00 2.00 1.68 0.86 0.89 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 99 D 8.07 4.47 0.00 2.86 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.50 3.95 0.00 2.06 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 2.18 2.29 0.00 101 Y 8.21 3.86 0.00 2.80 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.73 4.87 0.00 1.89 2.13 1.07 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 103 V 7.67 3.79 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 0.97 0.00 0.00 1.02 0.00 0.00 104 A 7.57 3.94 1.13 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 0.00 0.00 0.00 0.00 0.00 105 H 7.97 4.51 0.00 3.27 3.25 0.00 5.62 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 0.00 106 P 0.00 4.11 0.00 2.03 1.90 0.00 3.84 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 2.06 2.12 0.00 107 K 8.77 2.80 0.00 1.61 1.62 0.00 1.75 0.00 0.00 1.94 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.70 1.62 7.81 108 E 7.48 3.64 0.00 1.73 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 2.15 2.11 0.00 109 E 7.20 3.90 0.00 1.81 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.28 0.00 110 W 7.12 4.39 0.00 3.73 3.31 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 0.00 111 A 8.06 3.81 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 0.00 112 D 8.69 4.94 0.00 2.94 3.25 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 0.00 113 V 8.45 3.41 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.23 0.00 0.00 114 T 8.53 4.41 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 1.25 0.00 0.00 115 E 7.65 4.52 0.00 2.13 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 2.24 2.31 0.00 116 T 7.76 4.65 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 117 N 8.02 4.64 0.00 2.73 2.68 0.00 0.00 7.45 8.67 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 0.00 118 D 7.92 4.35 0.00 3.07 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 0.00 119 A 8.26 4.06 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 0.00 120 L 7.70 3.89 0.00 1.62 1.72 1.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 121 K 7.49 3.70 0.00 1.84 1.78 0.00 1.93 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.51 7.81 122 M 8.47 4.28 0.00 2.01 1.87 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 123 K 8.73 3.80 0.00 1.77 1.89 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.53 7.81 124 Q 8.04 3.86 0.00 2.05 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.94 0.00 0.00 0.00 0.00 0.00 2.19 1.63 0.00 125 L 7.58 3.97 0.00 1.76 1.79 0.77 0.71 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 0.00 126 D 8.34 4.24 0.00 2.73 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 T 8.21 4.04 4.51 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 1.31 0.00 0.00 128 Y 8.81 4.26 0.00 3.00 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 0.00 129 I 7.66 3.40 1.88 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 1.38 1.00 0.95 0.00 0.00 130 S 8.17 4.56 0.00 4.07 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 0.00 131 K 8.10 4.19 0.00 1.97 2.13 0.00 1.56 0.00 0.00 1.78 0.00 0.00 2.59 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.22 1.39 7.81 132 Y 8.90 4.03 0.00 3.23 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Q 8.33 4.23 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.62 2.68 0.00 134 D 7.48 4.78 0.00 2.89 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 0.00 135 P 0.00 4.38 0.00 2.11 2.26 0.00 3.61 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 136 S 7.48 4.14 0.00 3.68 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 0.00 137 Q 7.82 3.15 0.00 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.60 0.00 0.00 0.00 0.00 0.00 1.52 1.92 0.00 138 A 7.76 4.10 1.19 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 0.00 139 D 7.63 4.16 0.00 2.73 2.64 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 0.00 140 A 7.44 4.26 1.11 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 0.00 0.00