NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 L 4.3067 8.1849 122.4940 55.0578 43.3622 177.9805 12 R 4.1631 8.1814 125.8095 53.9657 28.0741 175.3545 13 L 4.0927 8.3711 124.6397 58.6439 42.2701 179.1116 *14 R 3.9816 8.2042 120.9093 62.0228 29.2027 180.8552 *15 R 4.4664 7.7729 118.7930 60.5260 30.2565 180.3159 16 D 5.1420 8.0831 117.0135 53.2966 41.7961 177.7423 17 F 4.2222 8.5481 123.5693 61.4261 39.3579 176.7260 18 L 3.7308 7.9944 119.3182 57.9512 41.8363 178.4748 19 L 3.9209 7.8362 119.7112 58.3323 42.1227 178.9184 20 I 3.6687 7.8341 119.7515 64.1953 36.7740 178.2574 21 F 3.8439 7.9082 120.7956 61.1798 39.2385 177.0935 22 K 4.1829 8.2342 117.1636 58.5292 32.0432 178.2446 23 E 4.6115 8.3097 116.2661 57.3669 31.4379 176.3122 24 G 3.8414 7.9888 107.7155 44.2612 0.0000 172.1378 25 K 4.5296 7.6502 118.4838 54.4507 36.0235 175.3820 26 S 5.0720 7.9414 114.0150 57.1812 65.9540 173.4384 27 L 5.1682 9.0474 121.1542 53.4495 45.8049 175.3633 28 Q 5.1979 8.4618 117.7959 55.6991 31.5771 173.1922 29 N 5.0014 9.1039 116.8678 51.4903 40.3553 174.4811 30 E 4.0836 8.8423 114.8646 59.2915 29.6324 177.1938 31 Y 4.7556 8.2950 115.8724 58.1287 39.6570 175.1670 32 F 5.4835 8.0168 117.8071 55.7277 43.9032 173.7180 33 V 4.7618 8.9577 122.2387 61.2746 33.9201 174.4640 34 V 4.8754 9.1784 127.7445 61.2316 34.1086 174.0706 35 L 5.2974 9.0304 128.4806 53.4937 44.1053 175.5155 36 F 5.4545 8.3954 116.0864 56.1519 41.7459 172.9883 37 R 5.0085 9.1773 119.9332 54.5279 33.7798 174.3495 38 K 4.1405 9.0875 125.4234 57.1260 32.2856 176.2555 39 N 4.6220 8.9720 120.4686 51.2625 38.8307 174.6589 40 G 3.2696 7.6426 106.5577 47.0849 0.0000 174.0285 *42 D 4.7287 8.0446 114.9522 52.4587 41.4395 174.7691 43 Y 5.0206 7.2208 115.9476 56.4449 41.7448 173.7112 44 S 5.1432 8.9457 115.6262 57.2544 65.8657 173.7832 45 R 4.9426 8.9661 119.3569 54.5118 34.2997 174.2572 46 L 4.9438 8.2781 123.1996 53.1450 44.9403 175.5976 47 G 4.3366 9.1656 111.9010 44.4585 0.0000 171.2505 48 I 5.0439 8.2588 120.8099 59.1459 40.5314 175.3151 49 V 4.1182 8.8775 126.3920 61.2073 33.9220 174.1331 50 V 4.2868 8.0687 128.4769 60.7380 32.8615 175.7187 51 K 4.1616 8.5289 127.6572 55.9559 32.5112 177.8505 52 R 3.8990 8.7945 122.8788 59.4491 29.9826 178.6157 53 K 4.1069 7.9808 115.0654 58.8113 32.8302 177.4192 54 F 3.9532 8.1992 122.2989 59.0873 39.3639 175.0026 55 G 3.7883 6.7791 104.7561 44.4892 0.0000 172.2864 56 K 4.1566 7.7383 118.3119 56.2714 34.4737 177.2165 57 A 3.9688 8.6267 122.5475 56.0063 18.1677 180.2648 58 T 3.7723 7.8524 107.4014 64.9199 68.8047 176.5392 59 R 3.8373 7.8493 121.0456 59.1215 30.1698 178.4866 60 R 3.7823 8.0714 117.9204 59.3939 29.9809 178.8668 61 N 4.2946 8.3972 116.5624 55.9608 38.5023 177.4754 62 K 3.7079 8.0241 121.1702 59.1986 32.1903 178.6772 63 L 3.9597 7.6821 120.5947 58.0555 41.9624 179.0339 64 K 3.9346 8.0807 118.4602 59.4821 31.9368 179.2643 65 R 4.0301 8.1829 118.4650 59.4372 30.0048 179.1931 66 W 4.9484 8.3885 119.7773 59.4352 29.0628 178.8604 67 V 3.6622 8.3972 118.4752 66.0410 30.9888 178.2765 68 R 4.0571 8.3738 117.9632 59.4069 29.4729 178.9006 69 E 4.1205 8.6754 118.4487 59.5562 29.3804 179.4705 70 I 3.8756 8.3065 120.0934 64.2777 36.9237 178.3061 71 F 4.1886 8.2587 120.3847 61.3142 39.3764 176.7848 72 R 3.9368 7.8993 116.8518 59.6375 30.0347 178.4614 73 R 4.2156 8.2104 115.9867 57.8467 30.2958 176.9950 74 N 5.0072 7.5633 116.0520 52.6138 39.5437 176.4417 75 K 3.5943 7.9809 122.9506 59.1521 32.4377 179.1910 76 G 3.6745 7.9816 106.7867 47.6141 0.0000 174.3096 77 V 4.1907 7.5594 110.7836 60.9819 32.4032 175.6068 78 I 4.2431 7.0661 120.5242 58.9639 38.1319 173.9656 79 P 4.3326 0.0000 0.0000 63.2188 31.7625 175.7264 80 K 4.5529 8.6911 120.8037 56.5187 33.7411 176.7407 81 G 3.7000 8.7406 108.9807 46.2957 0.0000 172.5671 82 F 5.2166 8.2243 116.9176 55.2921 43.1529 173.9286 83 D 5.2840 9.1565 122.6057 53.4211 42.5130 175.5284 84 I 5.1897 8.8955 124.4299 59.4158 40.7958 174.5706 85 V 4.8120 9.1827 126.8522 61.1251 34.2339 174.0960 86 V 4.5267 8.7865 128.5947 61.4916 33.4961 174.4737 87 I 5.2884 9.1285 128.7817 57.5768 39.6595 173.2497 88 P 4.7273 0.0000 0.0000 62.9847 32.0820 176.2270 89 R 4.5573 8.6075 120.7476 54.8344 32.2865 177.3896 90 K 3.8422 8.8711 121.6811 59.9029 32.1561 178.8195 91 K 4.1388 8.1432 119.2093 59.4340 31.8760 178.2781 92 L 3.5531 7.6664 119.4337 57.9208 42.1413 178.4311 93 S 3.3098 7.9466 112.5226 61.4351 61.9927 176.0357 94 E 3.9591 8.0360 119.4425 58.5557 29.4157 178.2054 95 E 4.5557 7.8651 116.2120 55.9863 29.8774 177.2370 96 F 3.9750 7.8235 123.9534 61.6399 39.0593 177.1369 97 E 4.0001 8.1879 116.2353 59.1973 29.4299 177.9953 98 R 4.1868 7.9854 115.6661 56.7051 30.6382 176.2545 99 V 4.1598 7.2607 119.0932 61.2988 32.6085 175.6466 100 D 4.9096 7.8000 127.9554 51.7107 42.6446 177.0879 101 F 2.5744 7.8649 120.1927 60.8324 38.9691 176.6082 102 W 4.0716 8.1607 127.3049 60.7167 30.5529 177.9752 103 T 3.8256 8.3685 115.8652 66.4893 67.8210 176.9911 104 V 3.8425 7.6987 120.2693 65.8267 31.5072 178.0458 105 R 3.4631 7.6355 118.8256 59.3413 29.8268 178.4353 106 E 3.5959 7.5879 118.3413 59.2708 28.9013 179.5746 107 K 4.0659 8.1045 118.4848 58.9028 32.0641 179.3815 108 L 3.8069 8.2023 121.1112 58.0805 42.0193 178.9313 109 L 3.8898 8.0784 119.3034 57.7309 41.2312 179.0500 110 N 4.2347 7.9331 115.7826 56.3176 38.7379 177.0098 111 L 4.1459 7.3849 120.3696 57.4912 42.0692 179.2413 112 L 3.8249 7.8939 118.8734 57.7730 41.6564 179.2757 113 K 4.1389 8.1835 115.9155 57.9048 32.0394 177.6862 114 R 4.3098 7.5071 117.1042 55.7189 30.4922 176.6851 115 I 2.9253 6.9359 120.5253 60.8929 37.3008 175.1667 116 E 4.6263 7.8238 121.2473 54.9979 32.2996 175.2563 117 G 3.9798 8.8651 107.6468 46.0362 0.0000 173.7681 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 11 L 8.18 4.31 0.00 1.59 1.64 1.01 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.18 4.16 0.00 2.09 1.88 0.00 3.32 0.00 0.00 3.34 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.35 0.00 13 L 8.37 4.09 0.00 1.63 1.70 1.06 0.94 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 *14 R 8.20 3.98 0.00 1.90 1.87 0.00 3.26 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.28 0.00 *15 R 7.77 4.47 0.00 1.90 1.86 0.00 3.18 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.28 0.00 16 D 8.08 5.14 0.00 2.71 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 17 F 8.55 4.22 0.00 3.15 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 18 L 7.99 3.73 0.00 1.80 1.66 0.85 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.84 3.92 0.00 1.80 1.84 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.83 3.67 1.85 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 1.43 0.59 0.90 0.00 0.00 21 F 7.91 3.84 0.00 2.40 2.82 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 0.00 0.00 0.00 22 K 8.23 4.18 0.00 1.88 1.85 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.58 7.81 23 E 8.31 4.61 0.00 1.95 1.93 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 2.21 2.39 0.00 24 G 7.99 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.65 4.53 0.00 0.79 1.25 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.15 1.11 7.81 26 S 7.94 5.07 0.00 3.76 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 9.05 5.17 0.00 1.68 1.59 0.83 0.70 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 28 Q 8.46 5.20 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 29 N 9.10 5.00 0.00 2.88 2.96 0.00 0.00 7.02 8.38 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 30 E 8.84 4.08 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 1.47 1.64 0.00 31 Y 8.29 4.76 0.00 2.86 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 0.00 0.00 0.00 0.00 32 F 8.02 5.48 0.00 3.03 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.96 4.76 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 1.09 0.00 0.00 1.01 0.00 0.00 34 V 9.18 4.88 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.93 0.00 0.00 35 L 9.03 5.30 0.00 1.66 1.48 1.01 0.57 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 36 F 8.40 5.45 0.00 3.14 3.04 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 37 R 9.18 5.01 0.00 1.88 1.79 0.00 3.09 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 38 K 9.09 4.14 0.00 1.64 1.59 0.00 1.69 0.00 0.00 1.52 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.22 1.52 7.81 39 N 8.97 4.62 0.00 2.70 3.13 0.00 0.00 6.72 7.67 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 40 G 7.64 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 0.00 0.00 0.00 *42 D 8.04 4.73 0.00 2.76 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 7.22 5.02 0.00 3.03 3.04 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 44 S 8.95 5.14 0.00 4.07 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 45 R 8.97 4.94 0.00 1.96 1.82 0.00 3.18 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.72 0.00 46 L 8.28 4.94 0.00 0.27 0.41 0.61 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 47 G 9.17 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 0.00 0.00 0.00 0.00 48 I 8.26 5.04 1.83 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 1.18 0.67 0.87 0.00 0.00 49 V 8.88 4.12 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 0.69 0.00 0.00 0.63 0.00 0.00 50 V 8.07 4.29 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 0.45 0.00 0.00 0.68 0.00 0.00 51 K 8.53 4.16 0.00 1.90 1.72 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.44 7.81 52 R 8.79 3.90 0.00 1.86 1.93 0.00 3.21 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 53 K 7.98 4.11 0.00 1.89 1.93 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.46 7.81 54 F 8.20 3.95 0.00 2.97 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 55 G 6.78 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 0.00 0.00 0.00 56 K 7.74 4.16 0.00 1.97 1.93 0.00 1.53 0.00 0.00 1.80 0.00 0.00 3.17 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.48 7.81 57 A 8.63 3.97 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 58 T 7.85 3.77 4.23 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 1.20 0.00 0.00 59 R 7.85 3.84 0.00 1.82 2.03 0.00 2.87 0.00 0.00 2.54 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.12 0.00 60 R 8.07 3.78 0.00 1.84 1.85 0.00 3.15 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.90 0.00 61 N 8.40 4.29 0.00 2.74 2.83 0.00 0.00 6.69 8.75 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 62 K 8.02 3.71 0.00 1.79 1.74 0.00 1.51 0.00 0.00 1.45 0.00 0.00 2.69 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.30 0.93 7.81 63 L 7.68 3.96 0.00 1.74 1.50 1.31 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.08 3.93 0.00 1.96 1.83 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.44 7.81 65 R 8.18 4.03 0.00 2.09 2.18 0.00 3.22 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 66 W 8.39 4.95 0.00 3.72 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 67 V 8.40 3.66 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 0.98 0.00 0.00 1.03 0.00 0.00 68 R 8.37 4.06 0.00 2.12 2.07 0.00 3.40 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.88 0.00 69 E 8.68 4.12 0.00 2.56 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 2.44 2.63 0.00 70 I 8.31 3.88 2.02 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 1.12 0.86 0.84 0.00 0.00 71 F 8.26 4.19 0.00 2.99 3.26 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 72 R 7.90 3.94 0.00 1.95 2.11 0.00 3.37 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 73 R 8.21 4.22 0.00 1.97 2.04 0.00 3.30 0.00 0.00 3.28 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 74 N 7.56 5.01 0.00 2.74 2.70 0.00 0.00 6.46 6.98 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 75 K 7.98 3.59 0.00 1.55 1.62 0.00 1.20 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.06 7.81 76 G 7.98 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 77 V 7.56 4.19 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 0.72 0.00 0.00 0.92 0.00 0.00 78 I 7.07 4.24 1.80 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 1.29 0.57 1.04 0.00 0.00 79 P 0.00 4.33 0.00 1.97 2.08 0.00 3.70 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 80 K 8.69 4.55 0.00 1.78 1.95 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.41 7.81 81 G 8.74 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 82 F 8.22 5.22 0.00 3.12 3.04 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 83 D 9.16 5.28 0.00 2.64 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 84 I 8.90 5.19 1.87 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.11 0.94 0.00 0.00 85 V 9.18 4.81 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 1.25 0.00 0.00 1.08 0.00 0.00 86 V 8.79 4.53 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 0.82 0.00 0.00 0.80 0.00 0.00 87 I 9.13 5.29 2.00 0.00 0.00 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 1.05 1.72 1.06 0.00 0.00 88 P 0.00 4.73 0.00 1.85 1.91 0.00 3.93 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.44 0.00 89 R 8.61 4.56 0.00 1.98 1.94 0.00 3.24 0.00 0.00 3.42 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 90 K 8.87 3.84 0.00 1.85 1.86 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.51 7.81 91 K 8.14 4.14 0.00 1.98 2.15 0.00 1.96 0.00 0.00 1.97 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.61 1.81 7.81 92 L 7.67 3.55 0.00 1.35 1.89 0.21 1.05 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 93 S 7.95 3.31 0.00 3.14 3.82 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 0.00 0.00 0.00 94 E 8.04 3.96 0.00 2.17 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 2.31 2.43 0.00 95 E 7.87 4.56 0.00 2.17 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 2.31 2.45 0.00 96 F 7.82 3.97 0.00 3.09 3.04 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 97 E 8.19 4.00 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 98 R 7.99 4.19 0.00 1.90 2.00 0.00 3.18 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 99 V 7.26 4.16 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 0.80 0.00 0.00 0.85 0.00 0.00 100 D 7.80 4.91 0.00 3.03 2.85 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 0.00 101 F 7.86 2.57 0.00 1.79 2.65 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 0.00 102 W 8.16 4.07 0.00 3.44 3.19 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 0.00 103 T 8.37 3.83 4.44 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 1.41 0.00 0.00 104 V 7.70 3.84 2.25 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 1.37 0.00 0.00 1.34 0.00 0.00 105 R 7.64 3.46 0.00 0.81 1.18 0.00 2.37 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.46 0.00 106 E 7.59 3.60 0.00 1.69 1.75 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 1.47 1.99 0.00 107 K 8.10 4.07 0.00 2.09 2.07 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.63 1.72 7.81 108 L 8.20 3.81 0.00 1.23 1.50 0.37 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.08 3.89 0.00 1.64 1.58 0.78 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 110 N 7.93 4.23 0.00 2.84 2.86 0.00 0.00 7.07 7.46 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 0.00 111 L 7.38 4.15 0.00 1.96 1.67 1.09 0.60 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 0.00 112 L 7.89 3.82 0.00 1.63 1.67 0.95 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.18 4.14 0.00 1.71 1.79 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.45 7.81 114 R 7.51 4.31 0.00 1.86 1.86 0.00 3.13 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 115 I 6.94 2.93 1.34 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.06 -0.77 0.00 0.00 116 E 7.82 4.63 0.00 2.07 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 2.27 2.30 0.00 117 G 8.87 3.98 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.