NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.3676 8.3231 116.7975 58.3135 64.8833 173.5822 5 G 3.9021 7.7566 106.8817 43.6396 0.0000 170.6390 6 R 4.6474 8.1614 116.7269 53.8167 34.8202 174.1261 7 F 4.2634 8.7277 122.1436 57.9958 38.5379 174.6257 8 S 4.2524 8.0351 122.5721 56.3778 64.6441 173.2280 9 I 4.3351 7.2563 125.8801 59.2144 39.5740 175.3266 10 K 4.9158 8.2758 124.4637 55.1889 35.1498 175.1888 11 A 4.4152 8.3619 125.0410 51.0259 22.9192 176.4630 12 K 4.3309 8.7100 119.7542 57.8349 33.9712 175.8870 13 N 5.6663 8.1214 117.2080 51.6277 41.8864 173.2608 14 Y 5.3842 8.8715 119.6626 56.3326 42.5914 174.2306 15 F 5.3119 9.8252 122.2780 55.7137 42.2339 174.0621 16 L 5.2472 8.6151 123.4520 52.5415 44.3131 175.5748 17 T 4.8343 8.0080 119.0404 61.9921 72.2097 172.3815 18 Y 4.5526 8.8950 124.4417 55.3323 39.9603 173.2773 19 P 4.4871 0.0000 0.0000 62.7837 32.5092 176.4595 20 K 3.7434 7.5201 122.4977 57.6234 30.9683 174.2959 21 C 4.2795 8.2866 119.4584 57.7752 32.7940 172.6393 22 D 4.6776 8.2297 125.8710 53.9811 40.8164 175.5407 23 L 3.9670 6.8324 119.1879 54.8747 42.6762 177.4596 24 T 4.2913 8.0909 116.6451 60.7729 71.3158 176.1727 25 K 3.9055 8.3132 121.1903 59.7259 32.6864 179.0059 26 E 3.8603 7.9862 120.2545 59.2765 29.7325 178.3717 27 N 4.2812 8.1079 116.3019 56.3437 38.5775 177.4079 28 A 4.0657 8.0329 122.1841 54.7604 18.3445 179.5294 29 L 3.7079 8.3698 119.6619 58.2907 42.1770 179.4467 30 S 3.9974 8.4039 115.4189 61.6131 62.5722 176.7294 31 Q 3.9115 8.2260 119.7447 58.9980 28.7872 178.5965 32 I 3.7087 8.1378 121.1272 64.7225 36.9269 178.7178 33 T 3.3563 7.8531 115.5693 66.2618 68.2677 175.8862 34 N 4.6579 8.0670 116.4724 53.1798 38.8921 175.2933 35 L 4.2261 7.1384 122.0865 54.2185 41.8597 177.0924 36 Q 4.3085 8.5840 122.1010 56.0820 29.7311 174.7907 37 T 3.9322 7.5779 111.7879 59.6755 70.2623 171.9270 38 P 4.4569 0.0000 0.0000 64.2079 33.4770 176.3378 39 T 4.2772 7.7206 112.0021 61.7253 68.8633 176.0232 40 N 4.6595 7.2279 113.7759 52.6787 43.6283 172.3462 41 K 4.1005 8.9329 125.4324 56.6380 32.8621 174.8906 42 L 4.2969 8.7858 126.4847 54.4131 42.1317 176.3153 43 F 5.4110 8.3796 121.6791 57.3374 43.3362 174.8663 44 I 4.8202 8.0247 123.5197 59.5002 41.4716 174.0138 45 K 4.7815 9.2495 128.8312 54.6110 34.9980 174.6495 46 I 4.9840 8.4697 128.4598 59.7250 40.0364 174.2544 47 C 5.1321 9.1823 127.4737 57.4816 34.8453 172.5827 48 R 4.7812 8.6032 125.5148 55.2082 31.5981 174.9561 49 E 4.7399 9.0751 125.6886 54.8235 33.4810 173.5330 50 L 4.9094 8.5257 126.4529 53.5744 43.5537 176.3293 51 H 4.6943 9.1065 120.9119 55.2989 29.5051 176.3699 52 E 4.2062 8.6047 120.2510 58.3577 29.3783 177.6448 53 N 4.5063 8.0769 115.3327 53.4918 38.9186 175.9572 54 G 3.9404 8.2471 107.2817 44.9969 0.0000 172.9386 55 E 4.6399 7.7204 118.6252 53.9965 31.9988 173.5124 56 P 4.6603 0.0000 0.0000 62.9358 32.6433 174.6117 57 H 5.8041 8.9774 124.0419 53.2120 33.4739 172.1912 58 L 4.9597 8.2973 123.5213 53.4756 45.6738 174.5753 59 H 5.6718 9.4062 121.9430 54.2756 32.4846 172.9269 60 I 5.1806 8.7335 121.9269 59.7149 41.9822 174.2258 61 L 4.3705 9.5668 127.7312 53.6392 45.1063 174.9574 62 I 5.1246 8.4037 127.1563 59.4059 41.2333 175.0141 63 Q 4.8605 8.3711 121.7722 54.7789 31.1626 174.5007 64 F 5.5289 8.8616 122.5168 55.6389 40.0455 175.9175 65 E 4.1028 9.2254 122.2244 58.6826 29.9548 176.8898 66 G 4.3883 7.9905 103.9436 43.5119 0.0000 172.8496 67 K 4.3090 8.7804 120.1327 57.0816 32.7796 175.8696 68 Y 4.6537 8.9858 127.1149 56.3228 40.8050 173.9380 69 N 4.6188 8.7158 124.9836 52.1249 39.2168 174.9625 70 C 4.0037 8.5446 132.3880 57.5599 29.7283 173.5027 71 T 4.6134 7.1726 110.2028 60.6824 67.7571 173.7663 72 N 4.8458 8.2272 117.2886 52.6644 41.4456 173.9769 73 Q 5.2422 8.6114 125.9810 57.0842 29.3949 176.5241 74 R 5.5056 7.2685 114.5520 56.8209 32.5059 177.6093 75 F 4.4507 7.9261 119.6662 60.9534 39.4007 175.8624 76 F 4.1398 8.0019 116.1423 57.3630 38.9038 174.9436 77 D 4.5657 7.8839 122.0866 54.8257 41.5446 174.9459 78 L 5.2763 8.6421 124.6782 53.1180 44.1254 176.4719 79 V 4.4839 8.4088 115.0647 59.2116 35.9846 175.0516 80 S 4.5860 8.6705 117.8149 57.0614 62.3687 172.9871 81 P 4.5315 0.0000 0.0000 64.0241 31.4836 176.5920 82 T 4.4915 7.4421 107.5505 61.5616 70.5478 174.3697 83 R 4.5988 7.5299 120.6232 54.3550 33.5799 175.3510 84 S 4.4216 8.5227 118.7707 58.0221 61.4065 173.6524 85 A 4.6511 7.3633 122.8525 50.4927 22.5964 176.1335 86 H 4.7508 8.5018 118.2565 53.8897 31.4838 174.1107 87 F 5.0608 8.9560 119.8444 56.0737 42.6599 173.7678 88 H 5.2198 9.0391 123.5593 53.8115 30.2768 172.0428 89 P 4.3535 0.0000 0.0000 62.4824 32.6106 175.3825 90 N 4.6935 8.1485 118.7579 52.1128 40.0005 174.4421 91 I 4.3915 8.3334 125.2698 60.8878 38.5837 175.5059 92 Q 4.6387 9.2053 124.9603 54.1467 32.9644 174.2701 93 G 4.0495 8.7872 110.8705 44.7821 0.0000 173.0219 94 A 4.4203 8.6772 128.4854 51.3957 18.9687 178.0452 95 K 4.1187 8.9029 123.3877 58.2485 32.5908 176.7333 96 S 4.6914 7.3170 113.0752 58.1474 64.7091 172.3069 97 S 4.6262 8.0710 111.8198 59.8510 64.1797 175.8930 98 S 4.3614 7.9287 115.7314 60.9150 62.9803 175.7179 99 D 3.8812 8.3665 120.5800 57.6133 40.5362 178.9350 100 V 3.9373 7.5586 111.9208 64.2125 31.5142 178.3222 101 K 3.6215 8.9251 120.7247 59.2751 31.7487 178.9846 102 S 4.0929 7.8839 114.1893 61.9823 63.1552 175.7191 103 Y 4.3430 8.0318 121.5213 60.6281 38.2865 177.6773 104 I 3.4127 7.7374 120.4837 64.2377 37.1810 177.5481 105 D 4.4457 7.8234 118.1712 56.2887 42.3566 177.3309 106 K 4.2696 7.5095 120.1016 55.7454 29.8670 175.7546 107 D 4.4657 7.7124 121.5451 51.8847 41.6077 175.0330 108 G 2.9307 9.9828 104.7193 45.3912 0.0000 172.6682 109 D 4.3594 8.3885 127.9693 54.5964 37.8669 172.9932 110 V 4.6636 7.2018 117.8023 59.9418 36.0340 175.3966 111 L 4.6466 8.9235 123.6687 53.5314 43.8463 174.6291 112 E 4.9173 8.8078 125.7923 54.4461 31.4442 175.1959 113 W 4.8284 8.3362 133.9840 56.5019 34.6916 175.8577 114 G 3.8648 7.4633 114.4691 44.9662 0.0000 172.5545 115 T 4.7706 8.0788 114.4327 61.4573 70.9654 174.3027 116 F 4.8510 8.6744 128.1089 57.2684 40.1805 174.8406 117 Q 4.4320 7.9489 123.6531 55.0145 30.4432 174.2536 118 I 4.0729 8.5042 125.0554 60.2568 37.2158 175.3740 119 D 4.3495 8.6597 126.5842 55.7974 40.7963 176.7598 120 G 4.1263 9.7831 111.4587 45.7996 0.0000 172.6675 121 R 4.1981 7.9409 116.3667 56.4060 31.2397 175.4262 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 4 S 8.32 4.37 0.00 3.89 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 5 G 7.76 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 0.00 0.00 0.00 6 R 8.16 4.65 0.00 1.78 1.85 0.00 3.24 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 7 F 8.73 4.26 0.00 3.11 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 8 S 8.04 4.25 0.00 3.84 3.71 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 9 I 7.26 4.34 1.97 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 -0.22 0.91 0.00 0.00 10 K 8.28 4.92 0.00 1.50 1.64 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.56 7.81 11 A 8.36 4.42 0.98 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 12 K 8.71 4.33 0.00 1.89 1.89 0.00 1.77 0.00 0.00 2.00 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.75 1.50 7.81 13 N 8.12 5.67 0.00 2.80 2.80 0.00 0.00 7.25 7.63 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 14 Y 8.87 5.38 0.00 3.34 2.90 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 15 F 9.83 5.31 0.00 2.87 2.90 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 16 L 8.62 5.25 0.00 1.70 1.07 -0.17 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.01 4.83 4.15 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 1.15 0.00 0.00 18 Y 8.89 4.55 0.00 2.86 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.49 0.00 2.08 2.05 0.00 3.91 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 20 K 7.52 3.74 0.00 2.19 1.83 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.35 7.81 21 C 8.29 4.28 0.00 2.87 2.63 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 22 D 8.23 4.68 0.00 2.60 2.55 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 23 L 6.83 3.97 0.00 1.23 1.19 1.02 0.84 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 24 T 8.09 4.29 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 1.29 0.00 0.00 25 K 8.31 3.91 0.00 1.92 2.05 0.00 1.49 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.41 7.81 26 E 7.99 3.86 0.00 1.99 1.95 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 2.36 2.33 0.00 27 N 8.11 4.28 0.00 2.77 2.83 0.00 0.00 6.96 7.36 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 28 A 8.03 4.07 1.16 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 0.00 0.00 0.00 29 L 8.37 3.71 0.00 1.61 1.86 0.92 0.66 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 30 S 8.40 4.00 0.00 3.93 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 31 Q 8.23 3.91 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.24 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 32 I 8.14 3.71 1.81 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.91 0.81 0.00 0.00 33 T 7.85 3.36 4.13 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 0.69 0.00 0.00 34 N 8.07 4.66 0.00 2.76 2.83 0.00 0.00 7.06 7.80 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 35 L 7.14 4.23 0.00 1.66 1.55 0.89 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.58 4.31 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.65 0.00 0.00 0.00 0.00 0.00 2.28 2.20 0.00 37 T 7.58 3.93 3.62 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 1.32 0.00 0.00 38 P 0.00 4.46 0.00 2.19 2.08 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.97 0.00 39 T 7.72 4.28 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 0.94 0.00 0.00 40 N 7.23 4.66 0.00 2.85 2.66 0.00 0.00 7.57 7.11 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 41 K 8.93 4.10 0.00 1.70 1.66 0.00 1.98 0.00 0.00 1.49 0.00 0.00 2.83 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.04 1.56 7.81 42 L 8.79 4.30 0.00 1.79 1.41 0.95 0.93 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 43 F 8.38 5.41 0.00 3.12 3.03 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 44 I 8.02 4.82 1.92 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.69 0.72 0.00 0.00 45 K 9.25 4.78 0.00 1.99 1.93 0.00 1.51 0.00 0.00 1.70 0.00 0.00 2.40 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.42 1.48 7.81 46 I 8.47 4.98 1.84 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 1.09 0.58 0.90 0.00 0.00 47 C 9.18 5.13 0.00 3.05 2.89 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 48 R 8.60 4.78 0.00 1.82 1.78 0.00 3.24 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.54 0.00 49 E 9.08 4.74 0.00 2.11 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 2.36 2.37 0.00 50 L 8.53 4.91 0.00 1.56 1.58 0.91 1.12 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 51 H 9.11 4.69 0.00 3.27 3.18 0.00 5.64 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.60 4.21 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 2.32 2.34 0.00 53 N 8.08 4.51 0.00 2.73 2.87 0.00 0.00 7.10 7.65 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 54 G 8.25 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 55 E 7.72 4.64 0.00 2.04 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 0.00 2.34 2.26 0.00 56 P 0.00 4.66 0.00 2.21 2.19 0.00 3.60 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.92 0.00 57 H 8.98 5.80 0.00 2.69 3.00 0.00 5.59 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.30 4.96 0.00 1.50 1.23 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 59 H 9.41 5.67 0.00 3.21 3.29 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.73 5.18 2.14 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 1.14 0.95 0.98 0.00 0.00 61 L 9.57 4.37 0.00 1.58 1.70 1.20 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.40 5.12 1.85 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.02 0.47 0.00 0.00 63 Q 8.37 4.86 0.00 1.93 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.41 0.00 0.00 0.00 0.00 0.00 2.13 2.32 0.00 64 F 8.86 5.53 0.00 3.21 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 65 E 9.23 4.10 0.00 2.03 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 2.32 2.35 0.00 66 G 7.99 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 0.00 0.00 0.00 0.00 67 K 8.78 4.31 0.00 1.69 1.82 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.57 1.49 7.81 68 Y 8.99 4.65 0.00 2.34 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 69 N 8.72 4.62 0.00 2.70 2.61 0.00 0.00 6.81 7.51 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 70 C 8.54 4.00 0.00 1.80 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 71 T 7.17 4.61 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 1.18 0.00 0.00 72 N 8.23 4.85 0.00 2.89 2.73 0.00 0.00 6.85 7.17 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 73 Q 8.61 5.24 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.20 0.00 0.00 0.00 0.00 0.00 1.84 2.18 0.00 74 R 7.27 5.51 0.00 1.82 2.01 0.00 3.13 0.00 0.00 3.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 75 F 7.93 4.45 0.00 2.77 3.02 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 76 F 8.00 4.14 0.00 3.04 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 77 D 7.88 4.57 0.00 2.75 2.63 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 78 L 8.64 5.28 0.00 1.83 1.74 1.27 0.72 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 79 V 8.41 4.48 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 0.06 0.00 0.00 0.83 0.00 0.00 80 S 8.67 4.59 0.00 4.23 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 81 P 0.00 4.53 0.00 2.22 2.15 0.00 3.83 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 82 T 7.44 4.49 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 1.22 0.00 0.00 83 R 7.53 4.60 0.00 1.78 1.85 0.00 3.32 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 84 S 8.52 4.42 0.00 3.85 3.77 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 85 A 7.36 4.65 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 86 H 8.50 4.75 0.00 2.86 3.08 0.00 5.66 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 87 F 8.96 5.06 0.00 3.11 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 88 H 9.04 5.22 0.00 3.10 3.26 0.00 5.92 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.35 0.00 1.49 0.66 0.00 3.93 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.22 0.00 90 N 8.15 4.69 0.00 2.59 2.72 0.00 0.00 7.18 7.15 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 91 I 8.33 4.39 2.21 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.40 1.02 0.00 0.00 92 Q 9.21 4.64 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 93 G 8.79 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 0.00 0.00 0.00 94 A 8.68 4.42 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 95 K 8.90 4.12 0.00 1.72 1.83 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.46 7.81 96 S 7.32 4.69 0.00 4.01 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 97 S 8.07 4.63 0.00 3.86 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 98 S 7.93 4.36 0.00 3.93 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 99 D 8.37 3.88 0.00 2.82 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 0.00 100 V 7.56 3.94 2.30 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 1.17 0.00 0.00 0.98 0.00 0.00 101 K 8.93 3.62 0.00 1.41 1.73 0.00 1.56 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.12 1.44 7.81 102 S 7.88 4.09 0.00 4.14 3.96 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 0.00 103 Y 8.03 4.34 0.00 3.09 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 0.00 104 I 7.74 3.41 1.86 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.86 0.73 0.00 0.00 105 D 7.82 4.45 0.00 2.83 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 0.00 106 K 7.51 4.27 0.00 1.98 1.79 0.00 1.82 0.00 0.00 1.92 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.39 7.81 107 D 7.71 4.47 0.00 2.74 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 0.00 108 G 9.98 2.93 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 0.00 0.00 0.00 0.00 0.00 0.00 109 D 8.39 4.36 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 0.00 110 V 7.20 4.66 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 0.72 0.00 0.00 1.04 0.00 0.00 111 L 8.92 4.65 0.00 1.70 1.55 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.81 4.92 0.00 1.90 1.95 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 2.40 2.40 0.00 113 W 8.34 4.83 0.00 3.27 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 0.00 114 G 7.46 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 0.00 115 T 8.08 4.77 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 1.22 0.00 0.00 116 F 8.67 4.85 0.00 1.79 2.39 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 0.00 117 Q 7.95 4.43 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.74 0.00 0.00 0.00 0.00 0.00 2.11 2.34 0.00 118 I 8.50 4.07 1.95 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 1.49 0.90 1.06 0.00 0.00 119 D 8.66 4.35 0.00 2.64 2.63 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 0.00 120 G 9.78 4.13 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 0.00 0.00 0.00 121 R 7.94 4.20 0.00 1.76 1.77 0.00 3.25 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00