NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2128 8.4045 120.3409 55.2050 33.3660 175.0148 2 N 4.7282 8.3514 122.6781 50.1300 40.1603 169.8590 3 Y 4.7403 9.0168 121.7433 54.2263 41.6727 173.4985 4 P 4.4003 0.0000 0.0000 62.7432 32.0017 176.2146 5 V 4.1951 8.0210 120.9689 60.8262 33.0048 175.1274 6 N 4.4044 8.6839 126.3408 53.0613 39.0498 173.5288 7 P 4.4873 0.0000 0.0000 64.7763 31.9631 176.8800 8 D 4.5659 8.6048 119.2442 56.1682 41.6049 178.7076 9 L 3.9691 7.9538 119.7361 57.8861 41.5116 178.8769 10 M 4.0143 7.9482 117.5356 58.3509 32.2391 176.2625 11 P 4.2257 0.0000 0.0000 65.4451 31.6072 178.4350 12 A 3.9836 8.1022 119.6858 54.9851 18.3184 179.5025 13 L 3.9289 8.0624 118.8266 58.5388 42.1599 178.6945 14 M 4.0490 8.3627 118.2465 58.7107 32.0293 177.9995 15 A 4.0114 8.3203 121.0038 55.0504 18.5429 179.7151 16 V 3.5215 7.7238 116.2747 66.1133 31.5760 177.7581 17 F 4.0457 8.2697 120.2899 61.7278 39.2171 177.1770 18 Q 3.9975 8.5960 117.6834 58.9964 28.3763 178.1875 19 H 4.0811 8.5020 119.6004 59.3320 29.8618 177.4900 20 V 3.2821 7.6921 119.9230 65.7701 31.4276 177.8036 21 R 3.6050 7.7221 118.5797 59.7140 29.8373 178.5946 22 T 3.8108 7.7325 115.3273 66.7448 68.4034 176.9329 23 R 3.8296 8.0441 120.1683 59.0673 29.9353 179.1487 24 I 3.5984 7.8316 119.8903 64.4472 37.0137 178.2693 25 Q 3.8923 7.8449 119.9766 59.1542 28.7930 178.0387 26 S 4.0659 8.1471 114.2128 61.5540 62.3780 176.1517 27 E 3.9396 8.3418 121.2178 59.2640 29.2543 179.0671 28 L 3.9476 8.1618 119.4022 58.1590 41.6337 179.4762 29 D 4.3868 8.3560 118.7354 57.3909 40.5132 178.5584 30 C 4.1467 8.1553 117.0173 62.5426 28.1592 175.1577 31 Q 4.3109 7.8598 116.8156 54.6613 28.6999 175.7615 32 R 3.8210 7.9112 118.0203 57.1980 28.3326 177.5926 33 L 4.0266 7.9741 118.1472 55.5499 42.3008 176.9112 34 D 4.3892 8.0822 116.4975 55.3319 39.3949 172.7137 35 L 5.0332 7.6855 115.4293 52.5054 46.1308 176.8889 36 T 5.0229 8.3408 112.5186 58.3348 72.6527 173.5403 37 P 4.2520 0.0000 0.0000 65.6077 31.4376 177.1432 38 P 4.3110 0.0000 0.0000 65.5282 31.1928 178.3533 39 D 4.3461 7.6579 118.1115 57.4582 40.7931 179.0008 40 V 3.6206 7.7483 118.5080 66.0786 31.5043 177.3477 41 H 4.1720 8.4533 118.2189 59.2830 29.6719 177.2892 42 V 3.4625 7.6430 119.4957 66.0557 31.3196 177.8739 43 L 3.9373 7.8069 118.6437 57.6943 41.3944 179.4793 44 K 3.5974 8.4846 119.7106 59.4473 32.1115 178.8627 45 L 3.9537 7.9284 119.1928 57.8694 41.3902 179.5937 46 I 3.6383 7.7986 119.8017 64.0952 36.7395 177.9798 47 D 4.3330 8.0380 118.3124 57.6412 41.2394 178.0481 48 E 4.2109 8.2426 117.5914 58.1422 29.8870 177.4634 49 Q 4.5827 8.0074 118.4496 55.3293 29.7446 175.1057 50 R 4.0273 7.4016 116.2430 57.9706 30.1784 175.9042 51 G 3.2990 8.2448 114.7210 44.4640 0.0000 173.5166 52 L 4.0406 7.5216 120.5949 55.3608 41.1781 176.5262 53 N 4.8555 8.2365 118.0258 51.9765 39.9622 175.9955 54 L 3.8992 8.2220 122.1039 58.3754 42.1959 178.9764 55 Q 3.9583 8.0530 117.5781 58.8348 28.7187 178.0857 56 D 4.2466 8.9565 119.3168 57.2842 41.3550 177.8020 57 L 3.9947 8.0644 121.0622 58.2466 41.7786 179.1449 58 G 3.6388 7.9970 104.2659 47.9307 0.0000 175.4757 59 R 4.0900 8.1013 120.6654 59.2018 29.9019 179.3149 60 Q 4.0624 7.9901 116.4088 59.0101 28.7201 178.3702 61 M 4.1092 8.0551 119.0728 55.9194 33.1183 175.8046 62 C 3.6136 7.4415 114.8337 60.6712 25.9017 172.8049 *66 A 4.3904 7.6002 125.4765 52.2198 20.7552 179.2753 67 L 4.0017 7.6976 116.4690 58.0788 42.0768 178.9122 68 I 3.8472 7.6798 119.5333 64.3770 37.1927 178.1790 69 T 3.6935 7.8865 116.2430 66.4939 68.1763 176.6376 70 R 3.9240 8.2022 120.1580 59.2614 30.0548 179.3044 71 K 3.9706 7.8756 117.6548 59.5508 31.9932 179.4482 72 I 3.6671 8.4259 120.8281 64.4671 37.0063 178.4988 73 R 4.1196 8.0427 120.8610 58.6521 29.8642 178.1100 74 E 3.8998 8.4120 119.3830 59.4340 29.6606 178.8761 75 L 4.0343 8.1916 119.1578 57.6830 41.6013 179.3979 76 E 4.3210 7.9987 120.2833 58.9942 29.2747 179.6817 77 G 3.8319 8.4213 104.4039 47.3945 0.0000 174.7993 78 R 4.3278 7.6149 117.4808 54.9053 30.4969 175.5713 79 N 4.2275 8.0946 116.4838 54.6772 38.2185 174.7386 80 L 4.5708 8.0437 117.1466 55.2479 43.5993 177.3281 81 V 4.9869 7.7748 118.1592 60.8192 35.0191 174.5669 82 R 4.8910 9.5904 123.1184 54.5877 32.8578 174.8504 83 R 5.6540 8.3625 117.8067 53.9572 32.9338 175.9019 *94 Q 4.2863 8.1611 117.5189 55.8668 30.0863 174.2788 95 L 5.2740 7.9196 121.4228 53.0698 44.9658 175.5950 96 F 5.1529 8.9939 120.0919 55.6986 43.8055 173.9518 97 L 4.7539 8.6495 122.2470 54.8746 42.5797 177.2301 98 T 4.2651 8.4848 113.8831 61.1046 70.6707 175.2637 99 D 4.3833 8.7854 120.3774 57.6870 40.6865 178.8627 100 E 4.1219 8.2226 118.7526 59.2828 29.5171 179.5031 101 G 3.6101 8.3050 106.0336 47.5618 0.0000 175.5318 102 L 4.0005 8.4112 123.0440 57.8846 42.1550 178.9186 103 A 3.9751 8.0653 120.6841 55.3139 18.2904 179.4944 104 I 3.7582 7.8868 117.1347 64.1237 37.9928 177.6587 105 H 4.2215 8.4463 119.4080 59.2672 29.7755 177.1640 106 L 3.8731 8.1099 120.9888 58.0728 41.4215 179.1484 107 H 4.1928 8.4556 117.9001 59.0933 29.7582 176.9678 108 A 4.0074 8.2047 122.7659 55.4746 18.1863 179.4866 109 E 3.9102 8.3415 116.8883 59.4519 29.4396 179.4751 110 L 4.0052 7.9986 119.0138 57.9366 41.6519 179.7520 111 I 3.6867 7.7641 119.5774 64.4653 36.9217 178.0090 112 M 4.0010 8.2804 119.3110 58.8590 31.9908 178.4132 113 S 4.1522 8.1684 115.0610 61.6916 62.9977 176.6832 114 R 3.8684 8.1735 121.4473 59.4667 29.7814 178.6811 115 V 3.6717 7.9712 118.1187 66.3029 31.5510 177.8105 116 H 3.8802 8.0022 115.9771 58.6531 28.6144 177.2899 117 D 4.5084 8.3339 120.8990 57.7774 40.5052 178.9868 118 E 3.9870 8.2977 117.8731 59.0318 29.4403 178.8551 119 L 3.9197 7.5126 119.8087 57.9803 42.4854 178.5180 120 F 4.7526 7.7231 115.3468 58.1322 38.9682 177.4299 121 A 4.0590 7.7337 121.7490 54.9915 18.1664 177.0579 122 P 4.4633 0.0000 0.0000 63.8427 31.6982 176.1583 123 L 4.7714 7.7221 119.4488 53.3585 43.1288 177.2862 124 T 4.2292 8.9678 114.1963 60.6612 70.9382 173.9296 125 P 4.2808 0.0000 0.0000 65.8690 31.1850 179.3372 126 V 3.6257 7.7190 117.3166 64.8217 31.3370 178.0959 127 E 3.9452 8.0394 118.8655 59.1437 29.2779 179.2790 128 Q 3.8954 8.6300 118.1106 59.0619 28.8119 178.9448 129 A 3.9712 8.1209 121.6489 55.3198 18.3393 179.8615 130 T 3.8084 8.2486 114.7118 66.6427 68.5006 176.6374 131 L 3.9149 8.1347 122.4822 58.0526 42.1309 178.8759 132 V 3.4971 7.8004 118.2804 66.4535 31.2790 177.5106 133 H 4.1472 8.1689 117.5873 59.3229 29.7649 177.2835 134 L 3.8706 8.0517 120.8267 57.7099 41.3235 179.4547 135 L 4.0049 8.0912 119.0973 57.7252 41.4261 179.1088 136 D 4.2737 8.1799 118.0284 57.3186 40.9664 178.0780 137 Q 3.8839 7.9624 119.1263 59.2224 29.3889 177.4322 138 C 4.1820 8.0394 117.7659 63.1465 28.2518 176.3800 139 L 4.0176 7.7469 119.7259 57.7571 41.0339 179.4671 140 A 4.0746 8.1669 119.5234 54.5184 18.3425 178.5134 141 A 4.3246 7.3028 116.2866 52.6687 19.0212 177.3900 142 Q 4.1345 7.9351 122.3047 56.0565 28.9364 175.7073 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 8.40 4.21 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 2.33 0.00 2 N 8.35 4.73 0.00 2.83 2.55 0.00 0.00 6.69 6.66 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 3 Y 9.02 4.74 0.00 2.95 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 4 P 0.00 4.40 0.00 2.08 2.02 0.00 3.85 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 2.09 2.12 0.00 5 V 8.02 4.20 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 0.80 0.00 0.00 1.01 0.00 0.00 6 N 8.68 4.40 0.00 2.76 2.70 0.00 0.00 6.96 7.71 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 7 P 0.00 4.49 0.00 2.22 2.17 0.00 3.82 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 1.99 0.00 8 D 8.60 4.57 0.00 2.87 2.75 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 9 L 7.95 3.97 0.00 1.89 1.72 0.93 0.62 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 10 M 7.95 4.01 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.57 0.00 11 P 0.00 4.23 0.00 2.20 2.09 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 12 A 8.10 3.98 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 13 L 8.06 3.93 0.00 1.88 1.84 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 14 M 8.36 4.05 0.00 2.13 2.05 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 2.63 2.61 0.00 15 A 8.32 4.01 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 16 V 7.72 3.52 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 1.03 0.00 0.00 0.99 0.00 0.00 17 F 8.27 4.05 0.00 3.23 3.23 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 18 Q 8.60 4.00 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.56 2.75 0.00 19 H 8.50 4.08 0.00 3.27 3.46 0.00 5.79 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.69 3.28 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 0.72 0.00 0.00 0.79 0.00 0.00 21 R 7.72 3.61 0.00 1.34 1.79 0.00 3.17 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 22 T 7.73 3.81 4.36 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 1.17 0.00 0.00 23 R 8.04 3.83 0.00 1.71 1.83 0.00 3.20 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.43 0.00 24 I 7.83 3.60 1.90 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 1.33 0.69 0.87 0.00 0.00 25 Q 7.84 3.89 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 26 S 8.15 4.07 0.00 3.93 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 27 E 8.34 3.94 0.00 2.10 1.94 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 2.43 2.45 0.00 28 L 8.16 3.95 0.00 1.78 1.70 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.36 4.39 0.00 2.80 2.69 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 30 C 8.16 4.15 0.00 3.11 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 31 Q 7.86 4.31 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 32 R 7.91 3.82 0.00 1.90 1.97 0.00 3.15 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 33 L 7.97 4.03 0.00 1.71 1.70 0.81 0.71 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 34 D 8.08 4.39 0.00 2.75 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 35 L 7.69 5.03 0.00 1.61 1.50 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.34 5.02 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 1.21 0.00 0.00 37 P 0.00 4.25 0.00 2.18 2.15 0.00 3.60 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 38 P 0.00 4.31 0.00 2.17 2.13 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 39 D 7.66 4.35 0.00 2.96 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 40 V 7.75 3.62 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 0.87 0.00 0.00 0.95 0.00 0.00 41 H 8.45 4.17 0.00 3.23 3.49 0.00 5.66 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.64 3.46 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 0.94 0.00 0.00 0.91 0.00 0.00 43 L 7.81 3.94 0.00 1.86 1.65 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.48 3.60 0.00 1.81 1.96 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.53 7.81 45 L 7.93 3.95 0.00 1.80 1.64 0.79 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.80 3.64 1.94 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 1.33 0.89 0.86 0.00 0.00 47 D 8.04 4.33 0.00 2.77 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 48 E 8.24 4.21 0.00 2.03 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 2.36 2.48 0.00 49 Q 8.01 4.58 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.78 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 50 R 7.40 4.03 0.00 1.95 1.89 0.00 3.13 0.00 0.00 2.25 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.84 0.00 51 G 8.24 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.52 4.04 0.00 1.78 1.88 0.92 0.26 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 53 N 8.24 4.86 0.00 2.99 2.95 0.00 0.00 5.64 6.67 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 54 L 8.22 3.90 0.00 1.72 1.69 0.92 0.78 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 55 Q 8.05 3.96 0.00 2.33 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 56 D 8.96 4.25 0.00 2.73 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 57 L 8.06 3.99 0.00 1.73 1.79 0.85 0.89 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 58 G 8.00 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 0.00 0.00 0.00 59 R 8.10 4.09 0.00 2.02 1.98 0.00 3.12 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 60 Q 7.99 4.06 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.01 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 61 M 8.06 4.11 0.00 1.99 2.23 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 2.58 2.81 0.00 62 C 7.44 3.61 0.00 3.10 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 *66 A 7.60 4.39 1.32 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 67 L 7.70 4.00 0.00 1.77 1.67 0.92 0.89 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 68 I 7.68 3.85 1.86 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 1.64 0.99 0.89 0.00 0.00 69 T 7.89 3.69 4.40 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 1.21 0.00 0.00 70 R 8.20 3.92 0.00 2.02 1.98 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 71 K 7.88 3.97 0.00 1.94 1.85 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.61 1.48 7.81 72 I 8.43 3.67 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.91 0.91 0.00 0.00 73 R 8.04 4.12 0.00 2.06 2.05 0.00 3.15 0.00 0.00 3.19 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.49 0.00 74 E 8.41 3.90 0.00 2.07 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 0.00 2.31 2.36 0.00 75 L 8.19 4.03 0.00 1.86 1.71 0.91 1.25 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 76 E 8.00 4.32 0.00 2.23 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 2.50 2.37 0.00 77 G 8.42 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 R 7.61 4.33 0.00 1.79 1.97 0.00 3.32 0.00 0.00 3.15 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 79 N 8.09 4.23 0.00 2.77 2.84 0.00 0.00 7.06 8.44 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 80 L 8.04 4.57 0.00 1.77 1.70 0.93 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 81 V 7.77 4.99 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 1.10 0.00 0.00 0.94 0.00 0.00 82 R 9.59 4.89 0.00 1.88 2.01 0.00 2.73 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 83 R 8.36 5.65 0.00 1.85 1.93 0.00 3.31 0.00 0.00 3.90 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 *94 Q 8.16 4.29 0.00 2.34 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 95 L 7.92 5.27 0.00 1.40 1.44 0.87 0.69 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 96 F 8.99 5.15 0.00 2.95 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 97 L 8.65 4.75 0.00 1.59 1.64 1.01 0.93 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 98 T 8.48 4.27 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 1.27 0.00 0.00 99 D 8.79 4.38 0.00 2.71 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 0.00 100 E 8.22 4.12 0.00 2.24 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 2.41 2.45 0.00 101 G 8.30 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 0.00 0.00 0.00 102 L 8.41 4.00 0.00 1.84 1.87 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.07 3.98 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 0.00 104 I 7.89 3.76 2.00 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 1.42 1.56 0.98 0.00 0.00 105 H 8.45 4.22 0.00 3.31 3.51 0.00 5.67 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 0.00 106 L 8.11 3.87 0.00 1.88 1.68 0.92 1.07 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 0.00 107 H 8.46 4.19 0.00 3.38 3.36 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.20 4.01 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 0.00 109 E 8.34 3.91 0.00 2.11 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 2.36 2.36 0.00 110 L 8.00 4.01 0.00 1.96 1.74 0.86 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.76 3.69 2.03 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 1.41 0.73 0.88 0.00 0.00 112 M 8.28 4.00 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.66 0.00 113 S 8.17 4.15 0.00 4.07 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 0.00 114 R 8.17 3.87 0.00 1.97 2.04 0.00 3.09 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 115 V 7.97 3.67 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 0.76 0.00 0.00 0.86 0.00 0.00 116 H 8.00 3.88 0.00 3.40 3.45 0.00 5.88 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 0.00 117 D 8.33 4.51 0.00 2.88 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 0.00 118 E 8.30 3.99 0.00 1.99 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 2.33 2.43 0.00 119 L 7.51 3.92 0.00 1.35 1.15 0.81 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 120 F 7.72 4.75 0.00 3.22 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 0.00 121 A 7.73 4.06 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 0.00 122 P 0.00 4.46 0.00 2.08 2.12 0.00 3.81 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 2.03 2.11 0.00 123 L 7.72 4.77 0.00 1.82 1.62 1.03 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.97 4.23 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 1.22 0.00 0.00 125 P 0.00 4.28 0.00 2.17 2.15 0.00 3.60 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 126 V 7.72 3.63 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 0.98 0.00 0.00 0.92 0.00 0.00 127 E 8.04 3.95 0.00 2.29 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 2.34 2.36 0.00 128 Q 8.63 3.90 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 129 A 8.12 3.97 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 0.00 130 T 8.25 3.81 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 1.22 0.00 0.00 131 L 8.13 3.91 0.00 1.82 1.76 0.95 1.25 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 0.00 132 V 7.80 3.50 2.18 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 0.90 0.00 0.00 0.84 0.00 0.00 133 H 8.17 4.15 0.00 3.30 3.46 0.00 5.84 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 0.00 134 L 8.05 3.87 0.00 1.72 1.67 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.09 4.00 0.00 1.80 1.71 0.95 0.82 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 0.00 136 D 8.18 4.27 0.00 2.94 2.78 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 0.00 137 Q 7.96 3.88 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.65 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 138 C 8.04 4.18 0.00 3.21 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 0.00 139 L 7.75 4.02 0.00 1.77 1.71 0.92 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.17 4.07 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 0.00 141 A 7.30 4.32 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 0.00 142 Q 7.94 4.13 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.49 0.00 0.00 0.00 0.00 0.00 2.67 2.44 0.00 * Residues marked with a * may have inaccurate shift predictions.