NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.1876 8.1844 122.4953 54.4703 42.4784 176.1493 6 N 4.2612 8.9050 126.0103 53.7977 38.7456 171.1335 7 E 4.7918 9.4270 129.0317 56.1122 32.3055 175.1919 8 R 5.0475 8.4082 119.8639 55.0738 31.8223 176.0039 9 I 4.9942 9.0119 117.6106 58.8397 41.4531 174.0447 10 L 4.7472 8.5013 125.5868 53.1342 44.8110 174.8198 11 L 4.7697 8.7214 126.6061 52.8775 44.4600 175.5904 12 V 4.7465 8.0992 122.8665 61.3839 34.3778 173.4729 13 D 4.7404 8.6934 126.2823 53.0066 44.5059 175.3293 14 D 4.2630 8.9654 125.1122 57.1470 41.4057 176.6630 15 D 4.7285 8.7873 119.9523 52.9656 42.1726 176.4383 16 Y 4.0298 8.5602 125.9279 60.9391 37.6055 178.0677 17 S 4.1323 8.3460 113.8821 61.5337 62.4294 175.9583 18 L 4.0232 8.4488 122.8208 57.7514 41.8282 178.6090 19 L 3.9489 7.8845 119.1071 58.1157 41.6400 179.2874 20 N 4.4537 8.5745 116.5085 56.6418 38.5174 177.7377 21 T 3.9163 7.6901 116.6977 66.5593 68.5156 176.9645 22 L 4.0253 7.9395 120.9568 57.7625 41.7958 179.5481 23 K 4.0011 8.5914 119.9568 59.3749 31.8326 179.1743 24 R 3.9673 7.7785 117.8324 59.3626 30.0456 178.4215 25 N 4.5566 8.0813 115.7500 56.1671 38.6574 177.5117 26 L 4.3737 8.4474 120.3676 57.3105 41.6160 179.3171 27 S 4.8790 7.8636 115.3257 60.3757 62.7412 175.8681 28 F 4.1452 7.8296 121.9724 60.4562 39.1661 175.2875 29 D 4.3919 7.7393 116.0795 54.2720 42.3821 175.7323 30 F 5.1252 8.1730 116.6217 55.4375 44.0530 174.1335 31 E 4.5266 9.0135 122.0405 55.5997 30.0183 174.8225 32 V 4.8244 8.3835 127.2329 61.4643 33.5165 174.7954 33 T 4.9090 8.7690 124.1770 61.8891 71.6086 173.1459 34 T 5.1152 8.4971 114.5128 60.1994 71.7818 173.0366 35 C 5.1334 8.7453 120.7440 58.1732 32.4065 174.6152 36 E 4.7349 8.9958 119.1943 56.2129 30.0078 176.2471 37 S 4.6145 7.4295 114.0055 56.3711 66.8118 175.1953 38 G 3.6842 8.5774 108.1980 47.8593 0.0000 173.7981 39 P 4.3110 0.0000 0.0000 64.9532 31.4371 178.3913 40 E 3.9300 8.1605 117.3550 59.0616 29.4561 178.7649 41 A 3.9533 8.2402 121.1524 55.1991 18.4980 179.5032 42 L 3.9295 8.3925 117.7239 57.9101 41.5658 179.6523 43 A 4.0002 8.1671 120.6256 55.4489 18.2377 179.2972 44 C 4.1797 8.2565 117.1428 62.6421 31.3739 175.9034 45 I 3.9994 7.9726 121.0509 64.1791 36.7877 178.0443 46 K 4.1150 7.9563 118.7855 59.1432 32.0708 178.7736 47 K 4.3027 7.7650 115.9173 56.8990 33.3016 176.7805 48 S 4.6115 7.0218 116.2390 56.5739 64.6368 173.5204 49 D 4.4153 8.0738 121.2292 53.6146 41.0629 175.1335 50 P 4.2103 0.0000 0.0000 62.7971 31.8839 176.2141 51 F 4.5165 8.3511 121.5893 56.5340 40.2988 176.1564 52 S 2.7900 8.2885 120.1100 60.1448 64.1899 174.4231 53 V 4.6627 7.3837 119.2560 60.8743 34.9113 174.5447 54 I 5.0726 7.9691 126.9800 58.1670 41.6079 174.0582 *56 V 4.1376 8.1385 121.3935 63.2033 31.7300 176.3855 57 D 5.0674 8.3482 128.1612 53.5118 43.3815 174.9680 *59 R 4.0051 8.4421 114.8623 55.7641 31.3448 173.0718 *61 P 4.0769 0.0000 0.0000 63.6534 32.3850 177.4466 62 G 3.8534 8.6442 109.6273 46.4118 0.0000 173.7045 *64 E 4.2302 7.7577 118.3297 55.5694 31.9082 176.4179 65 G 3.9135 8.5043 108.5817 47.7281 0.0000 175.7786 66 T 3.8042 7.8428 114.8098 64.8984 67.3872 175.5897 67 E 3.9108 8.1301 120.7421 59.1764 29.5838 178.7074 68 V 3.5440 7.7220 118.2471 66.0100 31.5391 178.1004 69 I 3.3539 7.8720 119.8345 64.3498 36.7530 178.5451 70 Q 3.9550 7.7570 116.8515 58.9099 28.2005 178.3214 71 K 4.0825 8.3423 120.8850 59.1805 32.1142 179.1351 72 A 4.0661 8.2801 121.5202 55.1852 18.3933 179.6854 73 R 4.0589 8.0732 116.9928 59.5591 29.8302 179.0884 74 L 4.2145 7.4528 117.1096 57.2377 41.7393 178.9781 75 I 4.1678 7.6834 118.7947 62.5936 38.4172 176.0851 76 S 4.7070 8.6106 114.5122 55.5537 62.1104 172.1739 77 P 4.6456 0.0000 0.0000 64.4197 31.7448 177.8178 78 N 4.5542 8.1730 114.2318 55.3628 38.9550 175.6684 79 S 4.2892 7.5001 112.8200 59.0443 63.8265 174.0835 80 V 4.1499 8.2167 122.7484 61.6181 33.2397 173.9720 81 Y 4.8698 8.5915 125.1833 56.6205 40.1383 174.6597 82 L 5.5316 8.3850 126.0926 52.2076 45.2417 174.9349 *84 L 4.3067 8.3274 121.7244 56.2712 43.3818 176.9382 85 T 4.7094 9.1382 120.8672 59.9048 71.4352 173.5196 86 G 4.0413 8.9181 115.6240 44.7963 0.0000 174.3528 87 N 4.4604 8.6273 119.6322 54.5539 37.5930 176.3237 88 Q 4.0610 8.0834 117.7525 58.7647 28.9140 176.9766 89 D 4.8526 8.1287 116.8320 53.9008 41.3475 178.0632 90 L 3.7592 7.7727 123.3205 58.3702 42.3151 179.0383 91 T 3.7834 7.6943 111.1726 65.0392 67.9458 175.1998 92 T 4.2627 7.7227 114.6679 66.0599 68.6586 175.7390 93 A 4.2508 7.5890 123.5632 52.5438 18.1436 178.9989 *95 E 4.2027 8.3340 119.5727 57.8568 31.4481 177.8026 96 A 4.0443 7.9032 121.0713 53.9844 18.8238 177.9887 97 V 4.1324 7.8175 109.0902 60.6472 32.9843 175.4361 98 N 4.9157 8.8028 120.7589 51.1049 40.3505 174.4280 99 E 4.0335 8.5782 121.5097 58.3657 29.9617 177.3152 100 G 4.0994 9.0042 113.5313 45.6203 0.0000 174.6899 101 Q 4.0436 7.7456 117.6952 57.8725 29.0311 176.4603 102 V 4.2503 7.4157 116.7191 60.8697 32.9300 175.0534 103 F 4.4601 9.0571 130.4418 60.9015 39.2547 175.6782 104 R 4.4697 7.4803 119.8678 55.1102 33.2424 173.9295 105 F 4.7390 8.8640 124.9685 56.5517 40.7643 175.0647 106 L 4.9242 8.3822 120.8608 52.8176 45.3843 175.2817 107 N 5.0530 8.8694 121.5609 53.5212 39.8298 174.0197 108 K 4.6679 8.5172 125.2914 54.1873 33.9322 174.9829 109 P 4.5248 0.0000 0.0000 62.3658 32.2022 175.2515 110 C 4.9027 8.1600 119.3855 57.3134 35.2214 175.8833 111 Q 4.3984 8.5006 123.3253 55.3974 27.8603 178.3811 *113 S 4.4905 8.6402 113.1401 59.4780 65.3450 176.0797 114 D 4.3850 8.0896 120.6719 57.1874 40.5124 178.4110 115 I 3.7083 7.6692 119.7844 64.5252 37.1949 178.4660 116 K 4.0953 8.2490 118.4354 59.7130 31.8640 179.1181 117 A 4.0564 8.1635 120.7001 54.9026 18.2497 179.5153 118 A 3.9857 8.1705 119.3394 55.3567 18.4464 179.9669 119 I 3.4751 7.8031 118.1410 64.6617 37.2172 178.1078 120 N 4.2977 8.3203 117.0944 56.7977 38.4600 177.2970 121 A 4.2445 8.2655 121.9340 54.8739 18.3862 179.9186 122 G 3.3054 8.4063 104.5466 47.9084 0.0000 175.9648 123 I 3.6647 7.7889 122.6376 63.9801 37.2081 178.4642 124 K 3.9453 8.0916 120.4161 59.4205 31.9793 178.6236 125 Q 3.8292 8.0261 119.8602 59.3324 28.9627 177.3803 126 Y 3.9411 8.5869 121.1486 60.8323 38.7114 177.7637 127 D 4.2518 8.3810 118.9010 57.0662 41.3015 178.1245 128 L 3.8851 7.7662 119.4385 57.7755 41.6905 179.4393 129 V 3.4550 7.5758 118.1462 66.4559 31.6068 178.1903 130 T 3.8429 7.4692 108.9461 64.1593 68.5528 176.6730 131 S 4.1850 7.9154 116.5290 61.1600 62.2340 175.9767 132 K 3.9042 7.9498 122.4187 59.4852 31.9936 178.4350 133 E 3.9135 8.1269 119.8804 59.0791 29.5158 178.5677 134 E 4.0410 8.1203 117.3828 59.1225 29.5691 179.0668 135 L 4.1730 7.5257 119.3652 57.1156 41.7257 178.5258 136 L 4.3804 7.3979 117.0706 55.1445 41.9971 177.3433 137 K 4.4776 7.2760 116.0962 56.9788 34.6440 177.1731 138 K 4.1965 8.4294 119.0291 56.9210 33.1489 177.1760 139 T 4.1422 8.5985 118.9242 65.1586 69.0282 174.8509 140 F 4.9714 8.0329 122.2280 56.0959 41.3610 174.7616 141 A 3.9822 8.0425 129.2643 52.3332 18.4142 176.8721 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 5 L 8.18 4.19 0.00 1.63 1.71 0.97 0.70 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 6 N 8.90 4.26 0.00 2.92 2.72 0.00 0.00 7.06 6.77 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 7 E 9.43 4.79 0.00 2.02 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 2.40 2.56 0.00 8 R 8.41 5.05 0.00 1.77 1.85 0.00 2.91 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 9 I 9.01 4.99 1.67 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.88 0.65 0.00 0.00 10 L 8.50 4.75 0.00 0.27 0.71 0.66 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.72 4.77 0.00 1.52 1.47 0.91 0.45 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 12 V 8.10 4.75 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 0.96 0.00 0.00 0.83 0.00 0.00 13 D 8.69 4.74 0.00 2.70 2.33 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 14 D 8.97 4.26 0.00 2.61 2.67 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 15 D 8.79 4.73 0.00 2.76 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 16 Y 8.56 4.03 0.00 3.12 2.97 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 S 8.35 4.13 0.00 3.93 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 0.00 18 L 8.45 4.02 0.00 1.91 1.74 0.93 0.53 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 19 L 7.88 3.95 0.00 1.87 1.70 0.72 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.57 4.45 0.00 2.79 2.91 0.00 0.00 7.11 6.69 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 21 T 7.69 3.92 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 22 L 7.94 4.03 0.00 1.72 1.74 0.92 0.88 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 23 K 8.59 4.00 0.00 1.90 1.85 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.52 7.81 24 R 7.78 3.97 0.00 2.17 2.00 0.00 3.23 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 25 N 8.08 4.56 0.00 2.80 2.88 0.00 0.00 7.10 6.65 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 26 L 8.45 4.37 0.00 1.87 2.05 0.98 1.14 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 27 S 7.86 4.88 0.00 4.01 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 28 F 7.83 4.15 0.00 3.02 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 29 D 7.74 4.39 0.00 1.58 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 0.00 0.00 0.00 30 F 8.17 5.13 0.00 2.91 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 31 E 9.01 4.53 0.00 2.12 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 2.28 0.00 32 V 8.38 4.82 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 0.88 0.00 0.00 1.06 0.00 0.00 33 T 8.77 4.91 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 1.27 0.00 0.00 34 T 8.50 5.12 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 1.21 0.00 0.00 35 C 8.75 5.13 0.00 2.77 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 36 E 9.00 4.73 0.00 1.70 1.74 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 2.49 2.18 0.00 37 S 7.43 4.61 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 38 G 8.58 3.68 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 0.00 0.00 0.00 39 P 0.00 4.31 0.00 2.17 2.13 0.00 3.60 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 2.12 2.15 0.00 40 E 8.16 3.93 0.00 2.07 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 0.00 2.31 2.35 0.00 41 A 8.24 3.95 1.37 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 42 L 8.39 3.93 0.00 1.67 1.76 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.17 4.00 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 44 C 8.26 4.18 0.00 3.07 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 45 I 7.97 4.00 1.97 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.85 1.04 0.00 0.00 46 K 7.96 4.12 0.00 1.75 1.90 0.00 1.93 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.53 7.81 47 K 7.77 4.30 0.00 1.87 1.95 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.48 7.81 48 S 7.02 4.61 0.00 3.75 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 49 D 8.07 4.42 0.00 2.45 2.44 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 50 P 0.00 4.21 0.00 2.03 2.03 0.00 3.57 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 51 F 8.35 4.52 0.00 2.90 2.73 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 0.00 0.00 0.00 52 S 8.29 2.79 0.00 3.33 3.29 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 53 V 7.38 4.66 1.83 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 0.91 0.00 0.00 0.71 0.00 0.00 54 I 7.97 5.07 1.39 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.36 0.86 0.00 0.00 *56 V 8.14 4.14 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 0.73 0.00 0.00 0.97 0.00 0.00 57 D 8.35 5.07 0.00 3.01 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 *59 R 8.44 4.01 0.00 1.87 1.89 0.00 3.46 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 *61 P 0.00 4.08 0.00 2.07 2.02 0.00 3.70 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 1.93 2.09 0.00 62 G 8.64 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 0.00 0.00 0.00 *64 E 7.76 4.23 0.00 2.05 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 2.30 2.38 0.00 65 G 8.50 3.91 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 0.00 0.00 0.00 66 T 7.84 3.80 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 67 E 8.13 3.91 0.00 2.06 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 2.36 2.35 0.00 68 V 7.72 3.54 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 1.06 0.00 0.00 0.99 0.00 0.00 69 I 7.87 3.35 1.85 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 0.54 0.47 0.00 0.00 70 Q 7.76 3.95 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.98 0.00 0.00 0.00 0.00 0.00 2.58 2.42 0.00 71 K 8.34 4.08 0.00 1.84 1.88 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.60 7.81 72 A 8.28 4.07 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 73 R 8.07 4.06 0.00 1.82 1.95 0.00 3.29 0.00 0.00 3.00 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.54 0.00 74 L 7.45 4.21 0.00 1.64 1.73 0.91 0.82 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 75 I 7.68 4.17 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.63 0.96 0.00 0.00 76 S 8.61 4.71 0.00 3.86 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 77 P 0.00 4.65 0.00 2.12 2.13 0.00 3.83 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 78 N 8.17 4.55 0.00 2.83 2.72 0.00 0.00 6.91 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 79 S 7.50 4.29 0.00 3.78 3.15 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 0.00 0.00 0.00 80 V 8.22 4.15 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 0.48 0.00 0.00 0.79 0.00 0.00 81 Y 8.59 4.87 0.00 3.12 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 82 L 8.38 5.53 0.00 1.44 1.60 0.94 0.96 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 *84 L 8.33 4.31 0.00 1.81 1.61 0.99 0.54 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 85 T 9.14 4.71 4.33 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 1.31 0.00 0.00 86 G 8.92 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 87 N 8.63 4.46 0.00 2.79 3.14 0.00 0.00 6.13 7.39 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 88 Q 8.08 4.06 0.00 2.21 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 89 D 8.13 4.85 0.00 2.73 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 90 L 7.77 3.76 0.00 1.61 1.63 0.32 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 91 T 7.69 3.78 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 1.16 0.00 0.00 92 T 7.72 4.26 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 93 A 7.59 4.25 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 *95 E 8.33 4.20 0.00 2.18 2.32 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 2.42 2.32 0.00 96 A 7.90 4.04 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 97 V 7.82 4.13 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 0.80 0.00 0.00 1.18 0.00 0.00 98 N 8.80 4.92 0.00 2.75 2.72 0.00 0.00 6.55 7.28 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 99 E 8.58 4.03 0.00 1.95 1.89 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 2.33 2.30 0.00 100 G 9.00 4.10 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 0.00 0.00 0.00 101 Q 7.75 4.04 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.56 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 102 V 7.42 4.25 1.62 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 0.14 0.00 0.00 0.78 0.00 0.00 103 F 9.06 4.46 0.00 2.89 3.17 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 0.00 104 R 7.48 4.47 0.00 1.94 1.69 0.00 3.03 0.00 0.00 2.88 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 105 F 8.86 4.74 0.00 2.96 2.96 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 0.00 0.00 0.00 106 L 8.38 4.92 0.00 1.59 1.54 0.94 0.60 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 0.00 107 N 8.87 5.05 0.00 2.73 2.72 0.00 0.00 6.98 6.68 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 0.00 108 K 8.52 4.67 0.00 1.67 1.71 0.00 1.90 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.48 7.81 109 P 0.00 4.52 0.00 2.04 1.98 0.00 3.62 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 110 C 8.16 4.90 0.00 3.23 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 0.00 111 Q 8.50 4.40 0.00 2.28 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.25 0.00 0.00 0.00 0.00 0.00 2.46 2.32 0.00 *113 S 8.64 4.49 0.00 4.05 4.18 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 0.00 114 D 8.09 4.39 0.00 2.89 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 0.00 115 I 7.67 3.71 1.91 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 1.54 1.00 0.94 0.00 0.00 116 K 8.25 4.10 0.00 1.89 2.03 0.00 1.72 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.75 1.63 7.81 117 A 8.16 4.06 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 0.00 118 A 8.17 3.99 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 0.00 119 I 7.80 3.48 1.69 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 1.31 0.54 -0.12 0.00 0.00 120 N 8.32 4.30 0.00 2.89 3.00 0.00 0.00 7.01 7.04 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 0.00 121 A 8.27 4.24 1.60 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 0.00 0.00 122 G 8.41 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 0.00 0.00 0.00 123 I 7.79 3.66 2.01 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.56 1.01 0.00 0.00 124 K 8.09 3.95 0.00 1.88 2.01 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.47 7.81 125 Q 8.03 3.83 0.00 1.99 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.54 0.00 0.00 0.00 0.00 0.00 1.52 2.11 0.00 126 Y 8.59 3.94 0.00 3.01 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 0.00 127 D 8.38 4.25 0.00 2.88 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 0.00 128 L 7.77 3.89 0.00 1.97 1.65 0.91 0.87 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 0.00 129 V 7.58 3.46 1.83 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 0.93 0.00 0.00 0.91 0.00 0.00 130 T 7.47 3.84 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 0.36 0.00 0.00 131 S 7.92 4.19 0.00 3.95 3.99 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 0.00 132 K 7.95 3.90 0.00 1.97 1.89 0.00 1.55 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.46 7.81 133 E 8.13 3.91 0.00 2.03 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 2.27 2.28 0.00 134 E 8.12 4.04 0.00 2.25 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 0.00 2.46 2.30 0.00 135 L 7.53 4.17 0.00 1.81 1.75 0.93 0.93 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 0.00 136 L 7.40 4.38 0.00 1.71 1.70 0.91 0.78 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 0.00 137 K 7.28 4.48 0.00 1.94 1.98 0.00 1.60 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.33 7.81 138 K 8.43 4.20 0.00 1.86 1.86 0.00 1.58 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.56 7.81 139 T 8.60 4.14 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 1.27 0.00 0.00 140 F 8.03 4.97 0.00 2.83 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 0.00 141 A 8.04 3.98 1.05 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.