NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 P 4.3109 0.0000 0.0000 64.4057 32.6358 175.5139 11 S 4.3314 8.7728 113.7009 59.1596 63.8972 178.1730 12 F 3.5819 6.6370 118.0037 59.3071 42.0187 173.5357 13 P 4.5936 0.0000 0.0000 62.9471 31.8783 175.6033 14 Y 4.6171 7.1035 115.9635 58.4645 38.2396 177.3333 15 G 3.9173 8.2418 110.8011 47.7710 0.0000 174.4078 16 S 4.5781 7.5244 112.8649 56.0005 65.5713 172.8839 17 P 4.5092 0.0000 0.0000 65.1464 31.0748 178.8905 18 G 3.8578 7.5321 104.7750 47.3430 0.0000 175.5608 19 E 4.1696 8.0574 119.5793 59.0279 29.8295 178.4534 20 L 3.9145 8.4429 120.7198 58.1689 41.8383 178.4990 21 N 4.7274 7.7988 113.5873 55.1857 38.5369 176.2316 22 S 4.8725 8.0349 115.3627 57.7454 64.0725 174.2918 23 F 4.8343 7.8944 124.5686 57.0294 39.5942 175.2691 24 L 3.8278 8.4446 128.5488 57.9211 42.0168 176.5903 25 P 4.0059 0.0000 0.0000 65.8214 31.0673 177.7753 26 Y 4.1155 7.3081 117.3199 60.8092 38.9371 177.6661 27 L 3.7162 7.8752 119.8087 57.7450 41.6732 179.4865 28 L 3.8474 8.2508 119.0440 58.2674 41.6314 179.6484 29 T 3.8562 7.8964 115.3889 66.5503 68.3580 176.7371 30 R 3.7243 7.7557 120.4369 59.6653 30.1754 178.7554 31 I 3.8455 7.6499 119.4603 64.2346 37.0201 178.5731 32 T 3.8810 8.2791 117.3301 66.7562 68.2917 176.0449 33 H 4.1835 8.0584 119.5567 59.5483 29.5038 177.1344 34 I 3.8117 7.9070 121.5740 64.1278 36.8741 178.1156 35 W 4.0609 8.1298 128.7975 60.3048 30.9162 178.3294 36 S 4.0962 9.0078 116.2630 61.6175 62.3042 177.0649 37 S 3.9721 8.3417 117.1047 61.3428 62.8062 176.1201 38 E 3.6783 7.4572 121.7901 59.1271 29.1045 179.5387 39 L 3.4204 7.1044 118.5138 57.3929 41.2469 179.1734 40 N 4.1928 7.4145 116.0655 56.6265 38.9886 176.4892 41 Q 4.1516 7.7561 117.3998 57.5680 29.1429 177.3132 42 A 4.3783 7.6062 120.2151 52.7839 19.4323 177.0907 43 L 4.7729 7.6469 118.1606 54.2863 43.2332 179.1865 44 A 3.9855 8.2418 123.3783 55.2345 18.8287 180.7601 45 S 4.2255 7.9170 108.0387 60.4861 63.3269 174.8116 46 E 4.1406 8.0875 119.1585 56.4514 29.6915 176.1886 47 K 3.9384 7.9715 117.3891 58.0353 30.1029 176.4907 48 L 4.7291 7.4684 115.3131 51.9457 41.7049 174.9542 49 P 4.3877 0.0000 0.0000 62.6194 32.8649 177.8791 50 T 3.8322 8.6555 111.0240 65.0113 68.2666 174.4307 51 P 4.2239 0.0000 0.0000 65.3118 31.2363 178.4217 52 K 4.1718 8.1113 116.8272 58.8194 32.0149 179.1183 53 L 4.0385 7.7337 120.4033 57.8924 42.1043 179.0642 54 R 3.9819 8.1733 118.2102 59.0937 29.9820 178.8368 55 L 3.9462 7.5071 117.2833 57.8912 41.6875 179.2494 56 L 3.9714 7.8111 118.6687 58.3068 41.4701 179.8261 57 S 4.2126 8.7985 112.4270 61.1275 62.4903 175.9020 58 S 4.5156 8.0800 117.8628 61.0934 62.9318 176.3246 59 L 4.0555 8.1944 121.7645 57.8331 41.0608 179.5006 60 S 4.2606 8.0834 112.1931 60.4390 62.3352 175.2688 61 A 4.3657 7.9771 122.5429 54.1003 19.5082 178.0551 62 Y 4.2167 8.1826 111.3386 57.2636 38.5107 176.5628 63 G 4.3749 8.3056 113.3896 45.9255 0.0000 174.0148 64 E 4.9975 7.7805 118.2374 54.6408 32.7966 174.0643 65 L 5.0065 8.8108 124.9088 53.8835 46.9601 174.7082 66 T 4.7866 9.4014 112.8204 60.3660 70.6097 176.2982 67 V 3.9217 8.6326 123.3327 64.8979 30.6758 178.8345 68 G 3.5505 7.9953 106.2489 47.8351 0.0000 175.6516 69 Q 3.8914 7.8647 120.3701 58.6990 28.8310 178.7421 70 L 3.9826 8.4501 120.0312 57.4625 41.3334 179.3053 71 A 4.2834 7.5400 121.2654 54.1365 18.4571 179.4455 72 T 4.1254 7.2246 113.4426 66.6472 68.9165 177.0520 73 L 4.2118 8.0819 119.8384 56.8193 41.6371 178.0023 74 G 3.8346 7.7613 106.4106 47.8736 0.0000 175.8717 75 V 2.9739 7.2943 107.4466 62.0401 27.6897 174.2515 *77 E 4.1683 7.7974 127.0069 55.4778 31.7275 176.2022 78 Q 4.2376 8.4087 119.5551 59.2440 28.7482 179.1371 79 S 4.1679 8.1141 114.5692 62.2133 62.8648 176.5417 80 T 3.8371 7.8801 119.4800 66.1494 68.0712 176.6907 81 T 3.8945 8.9377 118.6451 66.7025 68.3137 176.9885 82 S 4.0959 9.1768 115.8164 61.2603 61.8453 175.9928 83 R 4.6842 8.2131 121.4829 57.6042 29.7260 178.7300 84 T 3.8172 7.7233 115.9192 66.2106 68.5314 177.0603 85 V 3.6573 8.1675 120.5539 65.5846 31.3613 177.7486 86 D 4.3788 7.7466 117.6893 57.5582 40.6147 178.7600 87 Q 4.0101 7.5888 117.9857 59.1198 28.7191 179.0675 88 L 4.0142 7.7097 119.5811 57.5301 41.5138 179.7420 89 V 4.2595 7.8884 119.8606 65.5501 31.2382 177.8578 90 D 4.3808 8.0530 117.8698 57.3625 40.7882 178.1745 91 E 4.1907 8.3881 117.5533 57.3232 29.6849 178.0169 92 G 4.0108 7.7226 106.9974 44.9264 0.0000 174.4248 93 L 4.2950 8.1617 120.1808 57.1075 43.0870 176.5328 94 A 5.2932 7.8586 118.2544 50.4759 23.4416 174.5310 95 A 4.9060 9.0755 119.4636 50.6217 23.2037 175.4667 96 R 4.7691 8.5163 118.7477 55.3502 31.0128 175.9343 97 S 4.7966 8.7597 120.3213 57.5599 66.0024 172.2760 98 I 5.0868 8.3146 117.0762 59.3560 41.3253 176.7306 99 S 4.6085 8.0413 118.5555 58.6007 61.6738 177.0157 *103 Q 4.0207 8.4958 129.0981 56.7391 29.2763 173.5580 104 R 4.4931 8.3950 121.8166 54.3573 31.9551 174.6084 105 K 4.6574 8.2666 124.9868 54.7199 36.8246 174.9512 106 R 4.7573 8.5690 121.9352 55.5247 30.3488 176.0196 107 T 4.7322 7.8145 117.1364 60.2087 72.3924 173.6000 108 V 5.0610 8.6722 119.6030 62.1559 35.5576 175.3933 109 V 4.8061 8.6326 117.1995 60.0643 36.9391 173.4477 110 L 4.7195 8.3726 122.5039 54.2434 42.3630 177.4689 111 T 4.1911 8.4731 114.4611 61.1558 70.4796 175.7506 112 R 3.8922 8.8126 120.0986 59.4851 29.8964 178.9375 113 K 3.9016 8.2016 118.7641 59.5887 32.1986 178.3098 114 G 4.1667 8.0469 107.0714 47.4269 0.0000 175.5876 115 K 4.0005 8.5071 121.7998 58.6335 32.0911 179.4430 116 K 3.8752 8.7735 119.2729 59.6558 32.1335 179.3123 117 K 4.0466 8.3561 119.2438 58.9169 31.7005 178.7360 118 L 4.0939 7.8780 118.9830 57.5304 41.4046 178.8994 119 A 4.0805 7.8239 119.7970 54.5153 18.4133 179.1473 120 E 4.0403 8.1417 117.7730 59.4195 30.2185 178.5353 121 I 4.0935 7.5708 110.7757 61.8796 37.9546 177.6938 122 S 4.2259 7.7216 117.2293 61.2448 62.9046 174.6064 123 P 4.3048 0.0000 0.0000 64.8371 31.1152 178.3411 124 L 3.8966 7.8545 119.1043 58.1606 42.1258 178.7886 125 I 3.8545 7.8321 119.7558 64.7494 37.1210 178.2616 126 N 4.6112 8.4973 117.1148 56.0201 38.3130 177.3495 127 D 4.3364 8.2928 120.6558 57.5228 40.7205 178.7684 128 F 4.2753 7.9846 116.7833 60.6703 39.0776 176.9995 129 H 4.6583 8.7689 117.7539 59.5570 29.5465 177.0986 130 A 4.0552 8.2383 122.4832 55.4259 17.9485 179.4415 131 E 3.9984 8.2432 115.9491 58.6521 29.7430 178.8113 132 L 4.4486 7.9535 120.5607 57.4200 42.4976 178.3968 133 V 4.1992 7.7911 110.4181 61.8451 31.3528 178.4480 134 G 3.6106 7.0872 102.9971 48.4774 0.0000 173.7934 135 N 4.8305 8.2315 116.4371 52.5331 39.9878 175.2672 136 V 3.9809 7.3224 118.6607 61.4717 32.4725 175.6047 137 D 4.3574 8.8031 125.5448 54.8951 41.8719 175.7593 138 P 4.3422 0.0000 0.0000 65.4196 31.4444 178.7668 139 D 4.3462 8.4328 118.0772 57.1746 40.8901 178.6673 140 K 3.8860 8.2507 118.5242 59.6045 32.2118 178.9188 141 L 3.9741 8.5924 120.6704 57.9959 41.9023 178.9104 142 Q 3.9377 7.7016 119.1574 59.2687 28.9586 177.9283 143 T 3.8345 7.8300 116.8505 66.8837 68.4978 175.8695 144 C 4.0128 7.9464 120.2089 62.7795 31.5894 175.7340 145 I 3.8224 7.6758 120.4331 63.8477 36.7024 178.2676 146 E 3.9910 8.1959 119.9852 59.1801 29.3147 179.3366 147 V 3.5967 8.0317 118.5655 66.0015 31.5942 178.1621 148 L 4.1194 8.2072 118.9759 57.5771 41.3400 179.7656 149 G 3.5618 8.1297 105.9689 47.6901 0.0000 175.5021 150 E 4.0532 8.2667 121.6169 58.9104 29.7136 178.9730 151 I 3.8272 7.7977 120.2129 63.9922 37.2460 178.0256 152 L 4.0484 7.9564 121.3595 57.7897 41.6942 178.8047 153 K 4.2636 8.3543 119.3417 58.6310 32.2183 178.2681 154 G 3.8555 7.7282 103.7638 45.4388 0.0000 174.1919 155 K 4.4625 6.9690 117.4158 56.5869 33.5252 175.4529 156 T 4.3545 7.3441 114.1244 63.4637 72.7264 172.4605 157 D 4.9275 8.7434 118.9483 53.1271 40.5078 175.2807 158 Y 4.1854 7.8431 126.0024 57.9891 39.1598 174.5256 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 10 P 0.00 4.31 0.00 2.02 2.03 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.04 0.00 11 S 8.77 4.33 0.00 3.80 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 12 F 6.64 3.58 0.00 3.32 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 13 P 0.00 4.59 0.00 1.78 2.00 0.00 2.20 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.40 0.00 14 Y 7.10 4.62 0.00 2.64 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 15 G 8.24 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 0.00 0.00 0.00 16 S 7.52 4.58 0.00 3.97 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 17 P 0.00 4.51 0.00 2.21 2.16 0.00 3.59 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 2.12 2.09 0.00 18 G 7.53 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 0.00 0.00 0.00 19 E 8.06 4.17 0.00 2.28 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 2.42 2.39 0.00 20 L 8.44 3.91 0.00 1.68 1.40 0.21 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 21 N 7.80 4.73 0.00 2.94 2.94 0.00 0.00 6.96 7.45 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 22 S 8.03 4.87 0.00 4.01 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 23 F 7.89 4.83 0.00 3.02 3.13 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 24 L 8.44 3.83 0.00 1.75 1.50 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.01 0.00 1.05 1.78 0.00 2.20 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.77 0.00 26 Y 7.31 4.12 0.00 3.25 3.33 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 27 L 7.88 3.72 0.00 1.82 1.65 1.01 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.25 3.85 0.00 1.86 1.62 0.88 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 29 T 7.90 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 1.21 0.00 0.00 30 R 7.76 3.72 0.00 1.64 1.79 0.00 3.04 0.00 0.00 2.82 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.57 0.00 31 I 7.65 3.85 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.45 0.90 0.00 0.00 32 T 8.28 3.88 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 33 H 8.06 4.18 0.00 3.32 3.49 0.00 5.81 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 34 I 7.91 3.81 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.97 0.97 0.00 0.00 35 W 8.13 4.06 0.00 3.46 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 36 S 9.01 4.10 0.00 3.86 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 37 S 8.34 3.97 0.00 3.85 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 7.46 3.68 0.00 1.63 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 2.22 2.42 0.00 39 L 7.10 3.42 0.00 1.27 1.32 -0.93 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 40 N 7.41 4.19 0.00 2.96 2.75 0.00 0.00 7.24 6.35 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 41 Q 7.76 4.15 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 42 A 7.61 4.38 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 43 L 7.65 4.77 0.00 1.67 1.58 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.24 3.99 1.28 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 0.00 0.00 45 S 7.92 4.23 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.09 4.14 0.00 1.97 2.04 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 2.30 2.27 0.00 47 K 7.97 3.94 0.00 1.89 1.93 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.43 7.81 48 L 7.47 4.73 0.00 1.61 1.57 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.39 0.00 2.16 1.97 0.00 3.59 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 2.11 2.08 0.00 50 T 8.66 3.83 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 1.17 0.00 0.00 51 P 0.00 4.22 0.00 2.17 2.17 0.00 3.51 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 2.21 0.00 52 K 8.11 4.17 0.00 1.98 1.85 0.00 1.82 0.00 0.00 1.57 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.43 7.81 53 L 7.73 4.04 0.00 1.75 1.78 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.17 3.98 0.00 1.92 1.97 0.00 3.21 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 55 L 7.51 3.95 0.00 1.89 1.73 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.81 3.97 0.00 1.94 1.76 0.94 0.82 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 57 S 8.80 4.21 0.00 3.86 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 58 S 8.08 4.52 0.00 4.19 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 59 L 8.19 4.06 0.00 1.92 1.77 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.08 4.26 0.00 3.92 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 61 A 7.98 4.37 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 62 Y 8.18 4.22 0.00 2.96 3.12 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 63 G 8.31 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.78 5.00 0.00 1.98 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 2.22 2.52 0.00 65 L 8.81 5.01 0.00 1.64 1.48 0.97 0.47 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 66 T 9.40 4.79 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 1.23 0.00 0.00 67 V 8.63 3.92 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 0.84 0.00 0.00 0.92 0.00 0.00 68 G 8.00 3.55 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 0.00 69 Q 7.86 3.89 0.00 2.38 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 1.84 2.19 0.00 70 L 8.45 3.98 0.00 1.63 1.71 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.54 4.28 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 72 T 7.22 4.13 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 1.37 0.00 0.00 73 L 8.08 4.21 0.00 1.52 1.60 0.03 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 74 G 7.76 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 75 V 7.29 2.97 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 0.71 0.00 0.00 0.93 0.00 0.00 *77 E 7.80 4.17 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 78 Q 8.41 4.24 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 79 S 8.11 4.17 0.00 4.04 4.14 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 80 T 7.88 3.84 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 1.21 0.00 0.00 81 T 8.94 3.89 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 1.26 0.00 0.00 82 S 9.18 4.10 0.00 3.72 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 83 R 8.21 4.68 0.00 2.08 1.95 0.00 3.18 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 84 T 7.72 3.82 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 1.21 0.00 0.00 85 V 8.17 3.66 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 1.03 0.00 0.00 0.98 0.00 0.00 86 D 7.75 4.38 0.00 2.93 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 87 Q 7.59 4.01 0.00 2.08 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 88 L 7.71 4.01 0.00 1.69 1.72 0.98 0.72 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 89 V 7.89 4.26 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 1.40 0.00 0.00 0.98 0.00 0.00 90 D 8.05 4.38 0.00 2.87 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 91 E 8.39 4.19 0.00 1.97 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 2.34 2.40 0.00 92 G 7.72 4.01 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 0.00 0.00 0.00 93 L 8.16 4.29 0.00 1.74 1.73 0.97 0.81 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 94 A 7.86 5.29 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 95 A 9.08 4.91 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 96 R 8.52 4.77 0.00 1.71 1.87 0.00 3.15 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 97 S 8.76 4.80 0.00 3.86 3.63 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 98 I 8.31 5.09 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.88 0.91 0.00 0.00 99 S 8.04 4.61 0.00 4.10 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 *103 Q 8.50 4.02 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.73 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 104 R 8.39 4.49 0.00 1.77 1.78 0.00 3.23 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.74 0.00 105 K 8.27 4.66 0.00 1.81 1.58 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.41 7.81 106 R 8.57 4.76 0.00 1.72 1.89 0.00 3.24 0.00 0.00 3.27 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 107 T 7.81 4.73 4.39 0.00 0.00 0.00 0.00 0.00 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 0.00 108 V 8.67 5.06 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 0.98 0.00 0.00 0.93 0.00 0.00 109 V 8.63 4.81 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 0.67 0.00 0.00 0.94 0.00 0.00 110 L 8.37 4.72 0.00 1.55 1.63 0.97 0.93 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 0.00 111 T 8.47 4.19 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 0.00 112 R 8.81 3.89 0.00 1.88 2.04 0.00 3.15 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 113 K 8.20 3.90 0.00 1.82 1.98 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.53 7.81 114 G 8.05 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 0.00 115 K 8.51 4.00 0.00 1.89 1.89 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.48 1.83 7.81 116 K 8.77 3.88 0.00 2.00 1.87 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.51 7.81 117 K 8.36 4.05 0.00 1.82 1.93 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.49 7.81 118 L 7.88 4.09 0.00 1.92 1.72 0.95 0.68 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 0.00 119 A 7.82 4.08 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 0.00 120 E 8.14 4.04 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 121 I 7.57 4.09 1.89 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 1.68 0.66 0.95 0.00 0.00 122 S 7.72 4.23 0.00 4.11 4.42 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 0.00 123 P 0.00 4.30 0.00 2.18 2.13 0.00 3.73 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 124 L 7.85 3.90 0.00 1.71 1.90 0.97 1.29 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 0.00 125 I 7.83 3.85 2.09 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.72 1.11 0.00 0.00 126 N 8.50 4.61 0.00 2.79 2.92 0.00 0.00 7.07 7.70 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 0.00 127 D 8.29 4.34 0.00 2.80 2.48 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 0.00 128 F 7.98 4.28 0.00 3.04 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 0.00 129 H 8.77 4.66 0.00 3.62 3.52 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 0.00 130 A 8.24 4.06 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.24 4.00 0.00 2.32 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 2.35 2.30 0.00 132 L 7.95 4.45 0.00 2.19 2.04 1.10 0.86 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 0.00 133 V 7.79 4.20 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 0.91 0.00 0.00 0.97 0.00 0.00 134 G 7.09 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 0.00 135 N 8.23 4.83 0.00 2.71 2.84 0.00 0.00 6.76 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 0.00 136 V 7.32 3.98 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 0.72 0.00 0.00 0.94 0.00 0.00 137 D 8.80 4.36 0.00 2.82 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 0.00 138 P 0.00 4.34 0.00 2.19 2.07 0.00 3.64 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 2.10 2.16 0.00 139 D 8.43 4.35 0.00 2.86 2.70 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 0.00 140 K 8.25 3.89 0.00 1.99 1.86 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.51 7.81 141 L 8.59 3.97 0.00 1.69 1.79 0.90 0.65 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 0.00 142 Q 7.70 3.94 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.54 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 143 T 7.83 3.83 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 1.20 0.00 0.00 144 C 7.95 4.01 0.00 3.00 3.08 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 0.00 0.00 0.00 145 I 7.68 3.82 1.84 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 1.47 0.67 0.88 0.00 0.00 146 E 8.20 3.99 0.00 2.17 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 2.31 2.47 0.00 147 V 8.03 3.60 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 1.02 0.00 0.00 0.94 0.00 0.00 148 L 8.21 4.12 0.00 1.83 1.65 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 149 G 8.13 3.56 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 0.00 150 E 8.27 4.05 0.00 2.05 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 2.30 2.34 0.00 151 I 7.80 3.83 2.01 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 1.39 0.80 0.89 0.00 0.00 152 L 7.96 4.05 0.00 1.75 1.76 0.90 0.34 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 0.00 153 K 8.35 4.26 0.00 1.98 1.93 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.45 7.81 154 G 7.73 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 0.00 0.00 0.00 155 K 6.97 4.46 0.00 1.96 1.83 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.51 7.81 156 T 7.34 4.35 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 1.33 0.00 0.00 157 D 8.74 4.93 0.00 2.76 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 0.00 158 Y 7.84 4.19 0.00 2.89 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 * Residues marked with a * may have inaccurate shift predictions.