NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.9466 8.2033 118.3872 59.3386 29.8417 174.9912 2 D 4.1913 8.3256 122.7951 57.0963 40.5775 177.0587 3 A 4.2088 8.7185 121.2619 53.8445 19.7030 177.6877 4 F 4.4678 8.1862 114.0178 58.7807 39.6245 176.8079 5 V 3.9787 7.5340 120.4453 61.8729 32.0187 176.4659 6 G 3.7807 7.7505 113.9256 44.9196 0.0000 170.5361 7 T 5.0571 7.6518 116.3650 61.6098 70.7929 174.0234 8 W 5.4943 9.7221 126.4472 54.6205 33.2277 174.5506 9 K 5.1210 9.6043 121.8160 54.7453 35.4376 175.1071 10 L 3.4782 8.2113 125.3183 55.3831 41.6824 176.6957 11 V 4.3496 8.5161 120.2053 62.3465 33.5895 176.1045 12 S 4.6347 7.4196 112.6389 57.3833 66.1115 173.5115 13 S 4.9777 8.3569 114.6130 56.8514 65.5736 172.8463 14 E 4.5533 8.6610 124.8352 55.3231 33.5456 175.7319 15 N 4.4396 9.0721 119.4506 54.4120 36.5605 176.0507 16 F 4.4214 8.1012 124.2204 60.7105 39.4052 176.5422 17 D 4.1990 8.1602 117.5633 57.2812 41.0850 177.8289 18 D 4.3180 8.0088 119.0341 57.3331 40.9160 177.8130 19 Y 4.0281 7.9994 120.0418 61.0321 38.7726 178.0991 20 M 3.6349 7.7812 119.5125 58.2375 31.4476 178.8995 21 K 3.8923 8.0109 118.5849 59.4058 31.9462 179.0196 22 E 3.9356 7.7638 118.8632 59.0363 29.6094 178.7135 23 V 3.8507 7.3071 117.7738 64.2883 31.5202 176.6580 24 G 4.1684 7.2006 105.2601 45.1377 0.0000 173.6633 25 V 3.6596 7.7063 120.1397 62.1731 32.0975 177.0224 26 G 3.9406 8.4532 113.4809 43.7316 0.0000 174.1010 27 F 4.0323 8.8986 121.4858 61.5960 39.2097 177.2182 28 A 3.9085 8.1346 119.4069 55.4219 18.2436 179.5317 29 T 3.8846 7.8720 113.7766 66.8210 68.5336 176.8492 30 R 3.7512 7.9750 119.9490 59.0723 29.6532 179.2851 31 K 3.7031 7.7429 118.2170 59.4278 31.8142 179.6884 32 V 3.5433 7.4125 116.8354 65.8355 31.8934 177.6457 33 A 3.5343 7.8978 121.0916 54.7717 17.8756 179.7400 34 G 3.6929 7.9100 103.3994 48.3185 0.0000 175.4228 35 M 4.1956 7.5591 119.1381 56.7412 32.3269 177.1077 36 A 4.2617 6.9772 120.6586 52.1807 19.4102 177.4639 37 K 4.5580 8.0597 118.4343 53.6491 32.0795 174.4773 38 P 4.8055 0.0000 0.0000 62.9080 33.2453 176.6652 39 N 5.2088 8.4161 118.8246 52.0219 40.0951 173.7411 40 M 5.0201 9.1956 117.5710 53.7310 36.3996 174.9724 41 I 4.7674 9.3429 124.7959 59.9319 39.6511 174.3360 42 I 5.0576 9.1496 129.5662 59.5578 39.3589 175.4271 43 S 5.0226 9.1042 120.7311 56.5934 66.9813 172.9682 44 V 4.7494 8.2878 119.8438 61.1929 34.4816 174.3949 45 N 4.7530 8.9768 125.8709 52.3001 41.4723 174.6473 46 G 3.7519 8.1783 117.6863 47.3294 0.0000 173.5871 47 D 4.5441 8.8351 124.3728 54.0251 41.2048 175.5555 48 V 4.1847 7.6559 121.5018 61.4911 33.0830 174.4967 49 I 4.5740 7.9830 129.2468 59.8968 39.4390 174.7848 50 T 4.7982 8.7824 122.7468 61.6980 71.9515 172.9292 51 I 4.6403 8.9424 127.5078 59.5839 39.5457 174.4691 52 K 5.0030 8.9628 128.9824 54.6727 35.3169 174.8425 53 S 5.1506 9.3702 122.5817 57.4233 66.2781 172.8072 *54 E 5.1469 9.8713 125.4305 55.0099 31.5904 172.4243 55 S 5.0976 8.3201 116.3900 56.6867 66.6033 175.5067 56 T 4.0759 8.6472 109.8535 64.2698 68.9304 175.8966 57 F 4.5023 7.7767 121.2804 60.2046 39.8484 175.0052 58 K 4.2124 7.9474 119.2323 55.2522 35.1600 173.3101 59 N 5.0610 8.5690 122.0738 52.2282 39.9393 174.3049 60 T 4.8307 8.5546 119.5379 62.1919 73.7409 172.5029 61 E 5.2880 8.4257 121.4597 55.3299 32.6815 174.1516 62 I 4.7420 8.9121 120.0442 59.2057 40.8221 174.3940 63 S 5.1895 8.3790 120.2934 56.9067 65.9402 173.0712 64 F 4.5830 8.0639 116.9306 56.0651 41.6437 172.5959 65 I 4.8768 8.1438 119.9500 59.0405 39.9550 175.4305 66 L 4.5088 8.7249 126.3960 56.9036 41.8467 177.8831 67 G 3.9735 9.2943 111.9485 45.2206 0.0000 173.0201 68 Q 4.6047 7.7920 118.8580 53.5949 30.3790 175.1677 69 E 4.5686 8.7579 124.7460 56.4767 30.5629 175.6040 70 F 5.1455 8.8997 119.6085 55.3130 42.0913 173.0386 71 D 5.0237 8.8289 119.8181 54.1487 41.7574 175.5850 72 E 4.7067 8.9949 123.3615 54.4636 33.1289 174.3571 73 V 4.6557 8.5023 127.3812 61.3661 32.2586 175.5416 74 T 4.1499 8.6897 119.1001 60.9296 69.4413 175.6039 75 A 4.0204 8.5390 124.8166 54.7843 18.5061 178.1068 76 D 4.7806 8.1219 113.3577 53.2668 39.7186 175.9507 77 D 4.5537 8.3130 118.0022 55.3446 40.1126 173.9590 78 R 4.0511 7.8293 116.4940 54.7879 30.7748 175.6636 79 K 4.8154 8.3947 121.8310 55.8222 33.7273 175.9457 80 V 4.7564 8.7158 118.1148 59.2615 36.2932 174.8057 81 K 4.8279 9.2175 122.0390 55.2246 33.7632 175.9798 82 S 5.5885 8.4435 121.3036 55.9055 66.6290 173.4075 83 T 4.9162 8.1572 118.6475 61.8067 72.4731 172.6684 84 I 5.1115 8.5085 126.1619 59.6866 40.4656 174.6553 85 T 5.0671 8.8746 115.8461 59.8710 73.0036 172.0605 86 L 5.0250 8.4806 123.4253 53.3060 44.1928 174.9730 87 D 4.6557 9.2613 126.2165 52.8430 42.5455 175.5529 88 G 4.1185 9.8503 117.9733 46.6206 0.0000 173.2252 89 G 3.9712 8.5786 105.6681 44.7698 0.0000 173.5846 90 V 4.6069 7.5629 120.7770 60.9209 33.7183 174.7740 91 L 4.5547 8.6035 128.8662 54.6407 42.8132 176.0041 92 V 4.6777 9.1583 124.6143 61.2920 34.1915 173.6287 93 H 5.1490 9.3252 128.7296 54.5685 32.2642 172.2613 94 V 4.8010 8.5774 126.6734 61.2365 33.9172 174.1570 95 Q 5.0985 9.2070 127.1706 54.0943 31.5063 174.5358 96 K 5.3808 8.9258 123.9061 54.4097 35.0324 175.2804 97 W 5.0205 9.2853 119.9634 56.2837 31.8438 174.2096 98 D 4.3538 9.9476 120.7584 55.4467 37.9970 174.8734 99 G 3.7639 8.2431 104.2223 45.5954 0.0000 174.2325 100 K 4.1799 7.8973 120.2960 54.5092 34.0892 175.0705 101 S 5.2124 7.7246 113.9567 57.1387 65.5904 172.9215 102 T 4.9919 9.2064 120.0330 60.7212 71.1965 172.3168 103 T 5.1627 8.6865 123.3508 61.8143 71.8899 172.9681 104 I 4.9053 9.1129 126.7227 59.4120 40.4155 174.5864 105 K 5.1257 9.1959 126.5748 54.6037 35.3448 175.3782 106 R 5.2824 8.7951 122.7458 54.3029 33.6832 174.7306 107 K 5.1798 8.9157 121.5444 55.4391 36.6313 175.2975 108 R 4.5456 8.2361 121.0825 55.5998 31.3070 175.7661 109 E 4.4967 9.0431 124.3577 55.4550 33.1189 174.8148 110 D 4.2545 8.3869 127.5386 56.1871 40.3651 174.2170 111 D 4.8294 8.8574 127.3745 55.3396 40.9035 175.6444 112 K 4.9359 8.4089 120.1585 54.8626 35.0464 175.1741 113 L 4.5845 8.8303 125.5705 53.4792 43.8517 175.1171 114 V 4.6313 8.7781 127.8262 61.3541 33.6220 174.3966 115 V 4.7999 8.9603 128.6663 61.2438 33.7976 173.9269 116 E 5.0905 9.4973 128.0503 54.9012 32.1158 174.6297 117 C 4.9153 8.9089 123.5238 57.8476 30.6047 173.1999 118 V 5.0642 8.7406 123.8900 61.4247 34.6449 174.1575 119 M 4.9202 9.4620 126.5768 55.0104 35.9201 174.8755 120 K 3.8982 9.9709 126.8947 57.4920 30.0053 175.6233 121 G 3.9687 8.5497 106.8923 44.9966 0.0000 173.8722 122 V 4.2182 7.9892 120.7667 61.6665 32.5175 174.3069 123 T 5.1614 8.4808 123.3974 61.8079 70.7043 173.2466 124 S 4.9957 9.0878 120.9196 56.7803 65.6360 172.5672 125 T 5.0565 8.3891 122.7975 61.8523 71.1877 173.1927 126 R 4.9512 9.2552 125.8502 54.3121 33.1719 174.8709 127 V 4.6514 8.5398 124.3392 61.4064 33.8096 174.0531 128 Y 5.2785 9.1440 125.0226 56.3986 41.5575 174.4406 129 E 5.5097 9.3274 120.6682 54.3105 34.5074 175.3231 130 R 3.8639 8.5766 119.9706 55.8804 30.7629 177.0730 131 A 4.1089 8.1732 125.5794 52.5084 18.3172 177.1658 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 C 8.20 4.95 0.00 3.09 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 2 D 8.33 4.19 0.00 2.81 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 3 A 8.72 4.21 1.09 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 0.00 0.00 4 F 8.19 4.47 0.00 3.23 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 5 V 7.53 3.98 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 0.78 0.00 0.00 1.07 0.00 0.00 6 G 7.75 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 7 T 7.65 5.06 4.11 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 1.20 0.00 0.00 8 W 9.72 5.49 0.00 3.20 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 9 K 9.60 5.12 0.00 1.78 1.94 0.00 1.33 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.61 1.41 7.81 10 L 8.21 3.48 0.00 1.28 1.41 0.29 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.52 4.35 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 0.89 0.00 0.00 0.95 0.00 0.00 12 S 7.42 4.63 0.00 3.81 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 13 S 8.36 4.98 0.00 3.69 3.64 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 14 E 8.66 4.55 0.00 1.90 1.79 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 2.21 2.41 0.00 15 N 9.07 4.44 0.00 3.15 2.95 0.00 0.00 6.79 8.13 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 16 F 8.10 4.42 0.00 3.10 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 17 D 8.16 4.20 0.00 2.82 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 18 D 8.01 4.32 0.00 2.92 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 19 Y 8.00 4.03 0.00 3.05 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 20 M 7.78 3.63 0.00 1.85 1.97 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 2.10 0.00 21 K 8.01 3.89 0.00 1.93 1.82 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.44 1.60 7.81 22 E 7.76 3.94 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.31 0.00 23 V 7.31 3.85 1.88 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 0.72 0.00 0.00 0.26 0.00 0.00 24 G 7.20 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.71 3.66 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 0.72 0.00 0.00 0.92 0.00 0.00 26 G 8.45 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 27 F 8.90 4.03 0.00 3.07 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 28 A 8.13 3.91 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 29 T 7.87 3.88 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 30 R 7.97 3.75 0.00 1.83 1.95 0.00 3.19 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.91 0.00 31 K 7.74 3.70 0.00 1.64 1.63 0.00 1.09 0.00 0.00 1.26 0.00 0.00 2.53 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.61 0.58 7.81 32 V 7.41 3.54 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 0.99 0.00 0.00 0.98 0.00 0.00 33 A 7.90 3.53 0.57 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 34 G 7.91 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.56 4.20 0.00 2.00 2.24 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.74 0.00 36 A 6.98 4.26 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 37 K 8.06 4.56 0.00 1.70 1.70 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.30 7.81 38 P 0.00 4.81 0.00 2.25 2.28 0.00 3.62 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 2.18 2.01 0.00 39 N 8.42 5.21 0.00 3.04 2.98 0.00 0.00 6.69 7.83 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 40 M 9.20 5.02 0.00 1.86 1.75 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.38 0.00 41 I 9.34 4.77 1.90 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 1.27 1.02 0.93 0.00 0.00 42 I 9.15 5.06 2.29 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 1.33 0.88 0.99 0.00 0.00 43 S 9.10 5.02 0.00 3.81 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 44 V 8.29 4.75 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 0.77 0.00 0.00 0.92 0.00 0.00 45 N 8.98 4.75 0.00 2.66 2.57 0.00 0.00 6.75 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.18 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.84 4.54 0.00 2.64 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.66 4.18 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 0.85 0.00 0.00 0.85 0.00 0.00 49 I 7.98 4.57 0.56 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.19 0.65 0.00 0.00 50 T 8.78 4.80 4.16 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 1.17 0.00 0.00 51 I 8.94 4.64 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.93 0.91 0.00 0.00 52 K 8.96 5.00 0.00 1.81 1.79 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.36 7.81 53 S 9.37 5.15 0.00 3.89 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 *54 E 9.87 5.15 0.00 1.62 1.78 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 2.14 2.09 0.00 55 S 8.32 5.10 0.00 3.99 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 56 T 8.65 4.08 4.29 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 1.24 0.00 0.00 57 F 7.78 4.50 0.00 2.93 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 58 K 7.95 4.21 0.00 0.96 1.25 0.00 1.37 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.20 1.19 7.81 59 N 8.57 5.06 0.00 2.61 2.73 0.00 0.00 6.73 7.54 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 60 T 8.55 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 1.23 0.00 0.00 61 E 8.43 5.29 0.00 1.94 1.77 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 2.19 2.28 0.00 62 I 8.91 4.74 1.93 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 1.33 1.39 1.10 0.00 0.00 63 S 8.38 5.19 0.00 3.62 3.60 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 64 F 8.06 4.58 0.00 2.59 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 0.00 0.00 0.00 65 I 8.14 4.88 1.91 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 1.49 0.93 0.93 0.00 0.00 66 L 8.72 4.51 0.00 1.69 1.70 0.96 1.13 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 67 G 9.29 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 7.79 4.60 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 69 E 8.76 4.57 0.00 1.98 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 2.24 2.33 0.00 70 F 8.90 5.15 0.00 3.05 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.83 5.02 0.00 2.67 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.99 4.71 0.00 2.03 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 2.24 2.41 0.00 73 V 8.50 4.66 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 74 T 8.69 4.15 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 1.05 0.00 0.00 75 A 8.54 4.02 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.12 4.78 0.00 2.83 2.86 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 77 D 8.31 4.55 0.00 2.80 2.86 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 78 R 7.83 4.05 0.00 1.50 1.21 0.00 2.21 0.00 0.00 2.74 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.40 0.00 79 K 8.39 4.82 0.00 2.01 1.83 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.33 1.02 7.81 80 V 8.72 4.76 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 0.42 0.00 0.00 0.87 0.00 0.00 81 K 9.22 4.83 0.00 1.61 1.83 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.55 7.81 82 S 8.44 5.59 0.00 2.72 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 83 T 8.16 4.92 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 1.24 0.00 0.00 84 I 8.51 5.11 1.27 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.54 0.72 0.00 0.00 85 T 8.87 5.07 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 1.23 0.00 0.00 86 L 8.48 5.02 0.00 1.66 1.61 1.02 1.15 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 87 D 9.26 4.66 0.00 2.71 2.51 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 88 G 9.85 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 0.00 0.00 0.00 89 G 8.58 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.56 4.61 2.26 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 1.01 0.00 0.00 0.98 0.00 0.00 91 L 8.60 4.55 0.00 1.32 1.37 0.15 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 92 V 9.16 4.68 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 1.02 0.00 0.00 1.00 0.00 0.00 93 H 9.33 5.15 0.00 3.08 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.58 4.80 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 0.93 0.00 0.00 0.94 0.00 0.00 95 Q 9.21 5.10 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.54 0.00 0.00 0.00 0.00 0.00 2.31 2.17 0.00 96 K 8.93 5.38 0.00 1.74 1.70 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.48 7.81 97 W 9.29 5.02 0.00 3.37 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 98 D 9.95 4.35 0.00 2.49 2.62 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 0.00 0.00 0.00 99 G 8.24 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 0.00 100 K 7.90 4.18 0.00 0.79 0.74 0.00 0.88 0.00 0.00 1.19 0.00 0.00 2.73 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.95 0.94 7.81 101 S 7.72 5.21 0.00 3.75 3.60 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 0.00 102 T 9.21 4.99 4.57 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 1.45 0.00 0.00 103 T 8.69 5.16 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 1.22 0.00 0.00 104 I 9.11 4.91 1.80 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.71 0.86 0.00 0.00 105 K 9.20 5.13 0.00 1.63 1.67 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.37 7.81 106 R 8.80 5.28 0.00 1.54 1.74 0.00 2.95 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00 107 K 8.92 5.18 0.00 1.83 1.91 0.00 1.31 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.42 7.81 108 R 8.24 4.55 0.00 1.43 1.75 0.00 3.03 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.24 0.00 109 E 9.04 4.50 0.00 1.90 1.73 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 2.19 2.25 0.00 110 D 8.39 4.25 0.00 2.82 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 0.00 0.00 0.00 111 D 8.86 4.83 0.00 2.71 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 0.00 112 K 8.41 4.94 0.00 1.81 1.74 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.43 7.81 113 L 8.83 4.58 0.00 0.27 0.86 -0.14 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.78 4.63 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 0.87 0.00 0.00 0.93 0.00 0.00 115 V 8.96 4.80 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 0.71 0.00 0.00 0.88 0.00 0.00 116 E 9.50 5.09 0.00 1.86 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 2.20 2.24 0.00 117 C 8.91 4.92 0.00 1.79 1.48 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.74 5.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.94 0.00 0.00 119 M 9.46 4.92 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 120 K 9.97 3.90 0.00 1.96 1.80 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.72 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.37 7.81 121 G 8.55 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 7.99 4.22 2.27 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 1.08 0.00 0.00 0.95 0.00 0.00 123 T 8.48 5.16 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 0.00 124 S 9.09 5.00 0.00 4.12 3.61 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 0.00 125 T 8.39 5.06 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 1.20 0.00 0.00 126 R 9.26 4.95 0.00 1.70 1.67 0.00 2.99 0.00 0.00 2.56 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 127 V 8.54 4.65 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 0.95 0.00 0.00 0.92 0.00 0.00 128 Y 9.14 5.28 0.00 3.00 3.05 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 0.00 129 E 9.33 5.51 0.00 1.97 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 2.34 2.36 0.00 130 R 8.58 3.86 0.00 1.48 1.52 0.00 2.96 0.00 0.00 2.79 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.20 0.00 131 A 8.17 4.11 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 * Residues marked with a * may have inaccurate shift predictions.