NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.6924 8.3493 119.5506 52.4771 42.3741 175.9221 4 S 4.4072 7.9917 110.4305 57.9120 65.2629 172.8678 5 C 4.3592 8.0129 121.9036 58.1425 33.4166 174.7486 6 I 3.6792 8.3881 128.0357 64.4761 37.5397 177.6626 7 F 4.4839 8.0806 117.9207 60.3854 38.7704 177.3940 8 C 4.1150 8.1809 116.1133 62.8346 27.8530 176.2141 9 K 3.9232 8.0713 119.9660 59.3100 31.7065 179.3618 10 I 3.6401 8.0480 121.3569 63.7043 36.7465 178.3019 11 A 2.5800 7.4465 120.1181 53.9905 18.1344 178.6567 12 Q 4.2215 7.0588 113.8623 54.6746 29.1036 175.7490 13 K 3.7951 7.3366 117.9960 57.6492 30.0698 176.7400 14 Q 4.2367 8.1729 119.3607 56.9604 29.0843 176.4705 15 I 4.5766 7.2509 118.5913 58.3409 40.4559 173.2304 16 P 4.4180 0.0000 0.0000 62.9381 32.0243 175.3098 17 S 4.5207 8.0349 112.6425 57.7244 65.6614 173.8759 18 T 4.4081 8.3998 117.8808 62.5378 69.2165 174.1197 19 I 4.2265 8.2759 128.1025 60.9658 37.6248 176.0418 20 V 4.0732 8.4241 127.0657 64.8057 32.8173 175.3746 21 Y 4.8199 7.3936 118.5482 56.8021 41.8965 173.1380 22 E 4.7948 7.4243 121.6843 55.0380 31.4500 174.0668 23 D 4.5504 8.5476 118.2619 52.5179 42.1593 175.3755 24 D 4.5831 8.8419 117.4971 56.9396 41.1417 176.8394 25 E 4.9000 9.1807 118.8282 56.6258 32.4638 175.8730 26 I 5.3852 7.9490 109.1961 59.1745 41.9772 174.5444 27 F 5.2452 9.4531 124.1290 56.7997 42.8653 172.8258 28 A 5.4742 9.0383 128.0363 50.2605 22.1912 174.6863 29 F 5.2302 8.6130 115.5384 55.2355 41.9729 173.7216 30 K 4.4803 8.7570 120.1735 56.1362 32.5403 176.8126 31 D 4.4763 8.5142 125.4518 54.3433 41.2906 176.3138 32 I 4.0857 8.5988 118.1947 61.9871 38.8724 175.2730 33 N 5.0172 8.4218 119.2691 51.4451 38.5295 171.8899 34 P 4.5874 0.0000 0.0000 62.8554 32.6249 177.0611 35 I 4.3896 8.5170 111.4658 60.5728 38.1305 174.7709 36 A 4.7200 7.5410 121.9710 50.3577 21.9479 174.9068 37 P 4.3623 0.0000 0.0000 64.6822 31.7823 176.9815 38 I 4.4975 7.9877 119.4999 59.6031 40.0407 174.8298 39 H 5.1728 8.7714 127.1990 55.1979 32.4587 171.5390 40 I 4.8450 9.0084 127.2312 59.3081 40.5926 174.6898 41 L 4.8971 8.4585 125.9801 52.8972 44.0660 175.5235 42 V 4.8963 8.8441 123.8683 61.0574 34.0463 174.2295 43 I 5.3655 8.9594 121.6711 58.1860 40.8172 173.3134 44 P 4.9489 0.0000 0.0000 63.0584 31.5200 176.5315 45 K 4.3937 9.2657 122.6731 59.4906 32.5447 178.2433 46 Q 4.0910 8.1603 116.8908 55.9348 29.2687 175.1637 47 H 4.2204 8.7005 120.6654 55.7944 30.0610 174.5264 48 I 4.4903 7.7382 127.1715 59.2358 40.1953 176.4447 49 A 4.1948 9.0497 128.3212 54.5767 18.6890 176.7028 50 S 4.4801 7.3725 107.8701 57.3800 65.5798 175.4974 51 L 3.9908 8.2645 121.3613 58.0909 41.7758 178.0851 52 N 4.5634 7.9654 114.3004 55.0208 38.4511 175.2475 53 E 4.4999 7.9579 117.0961 55.9824 29.8792 176.3132 54 I 4.1722 7.5370 121.2545 61.3801 37.6594 175.3159 55 T 4.8073 9.4409 113.6594 59.3802 71.8193 174.7975 56 E 4.4063 8.6932 120.3688 58.7815 29.5443 178.5516 57 E 4.2389 8.1739 117.0213 57.6659 30.1561 176.7577 58 N 5.0515 8.0593 114.6562 52.2433 37.9682 176.2259 59 E 4.0382 8.1930 119.9199 59.7551 29.5258 178.9070 60 A 4.0059 8.0475 121.2740 54.8761 18.4898 179.1195 61 F 4.1882 8.2852 118.6781 61.6176 39.4713 177.0529 62 I 3.6387 8.0647 118.3584 63.8054 37.6366 178.0403 63 G 3.5785 8.2237 106.8592 47.6348 0.0000 175.6066 64 K 3.9799 7.9645 122.1106 59.0557 32.1269 179.1050 65 V 3.3556 7.5283 118.6275 65.9114 31.4752 177.8330 66 L 3.5421 7.9570 120.3535 57.8979 41.7979 178.2781 67 Y 4.1565 8.0865 119.8508 60.7761 38.8034 178.3405 68 K 3.5521 8.1008 119.4244 59.0173 31.9994 179.3436 69 V 3.4229 7.9003 119.3833 66.1072 31.2630 178.3126 70 S 4.6063 7.7789 115.0863 60.8952 62.5434 176.4869 71 L 3.7462 7.5056 122.5961 57.3424 41.1789 179.5429 72 I 3.5542 7.4863 119.8144 64.1379 37.0467 178.5818 73 G 2.4543 7.8164 107.1129 47.3441 0.0000 175.8490 74 K 4.2456 7.7617 120.4728 59.0233 32.5798 179.0802 75 K 3.9911 7.2796 120.0755 59.6214 32.3633 178.5409 76 E 4.1549 8.1462 117.5061 57.9781 30.9502 177.0602 77 C 4.9106 8.2466 116.3661 57.1677 28.4967 173.0086 78 P 4.2798 0.0000 0.0000 65.2984 31.4680 177.9838 79 E 4.2251 8.0608 116.3378 55.7353 29.9035 175.5260 80 G 4.2444 7.4860 106.4467 44.2487 0.0000 172.8362 81 Y 5.0708 7.7814 116.6180 55.7783 41.4955 173.0521 82 R 4.8611 9.1925 121.4217 54.5898 32.9868 174.4939 83 V 5.6519 8.4366 125.0418 60.5008 33.8419 174.7239 84 V 4.6567 8.5350 126.3360 61.1503 35.0695 173.3554 85 N 5.2243 8.8467 124.7432 51.8759 41.8850 172.8258 86 N 4.8765 8.7681 122.8858 51.4220 40.6199 174.0654 87 I 4.3751 8.1863 123.7842 60.3489 39.5239 176.5670 88 G 3.8369 8.9597 116.7940 44.6684 0.0000 172.7313 89 E 3.9174 8.6679 118.0388 59.4249 29.8797 179.7442 90 D 4.3414 8.0791 116.6466 57.0293 40.9663 177.1582 91 A 4.1159 7.9553 119.6651 52.3999 18.9304 177.6994 92 G 3.8116 7.9662 103.7315 45.8410 0.0000 173.6495 93 Q 3.9414 8.0566 121.2991 56.3866 28.5256 175.4566 94 T 4.1441 7.8342 117.0664 63.1035 70.1038 174.4567 95 V 3.6106 7.2355 122.6065 61.4563 33.3149 177.6309 96 K 4.4194 8.2854 129.3512 55.0304 30.9250 176.3075 97 H 4.9637 7.5413 117.2339 54.2154 32.9884 172.3240 98 I 3.8623 8.9547 128.9788 61.9191 38.3613 174.8420 99 H 5.1742 8.2259 123.9049 54.2075 31.4234 172.4700 100 F 4.7571 9.2903 122.6878 56.7228 40.6937 174.6177 101 H 5.0435 9.5038 122.0259 55.3511 30.2774 174.2513 102 I 4.9994 9.1369 124.5977 59.6595 39.2877 174.5866 103 L 5.1264 8.7909 127.6205 53.2595 45.1173 176.5354 104 G 3.8603 9.0149 108.3948 47.0313 0.0000 174.0828 105 G 4.1388 11.2222 109.7249 45.1114 0.0000 172.6877 106 K 4.3636 7.1211 116.3642 55.5062 35.0320 175.3010 107 K 4.1296 8.4184 118.9071 56.0222 31.4988 177.1867 108 L 4.2161 8.3471 124.6350 53.7578 42.4016 177.3605 109 A 4.2328 8.4995 125.7236 52.3439 18.8679 177.3997 110 W 4.9229 8.4265 128.8860 55.4108 31.2138 174.0257 111 D 5.0040 7.7846 122.6803 51.1868 43.4628 176.5384 112 K 3.9018 8.3062 120.1948 56.8427 32.6564 177.4223 113 L 4.1577 8.1832 121.1655 54.9273 41.7367 176.5463 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 3 D 8.35 4.69 0.00 2.71 2.66 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 0.00 0.00 0.00 0.00 4 S 7.99 4.41 0.00 3.98 3.93 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 5 C 8.01 4.36 0.00 3.00 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 6 I 8.39 3.68 1.84 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 1.79 1.44 0.70 0.00 0.00 7 F 8.08 4.48 0.00 2.92 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 8 C 8.18 4.11 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.07 3.92 0.00 1.93 1.79 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.64 7.81 10 I 8.05 3.64 1.58 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.59 -0.16 0.00 0.00 11 A 7.45 2.58 1.13 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 12 Q 7.06 4.22 0.00 1.86 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.73 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 13 K 7.34 3.80 0.00 1.88 1.88 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.46 1.40 7.81 14 Q 8.17 4.24 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.74 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 15 I 7.25 4.58 1.79 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 1.44 0.98 0.89 0.00 0.00 16 P 0.00 4.42 0.00 2.18 2.04 0.00 3.77 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 1.98 1.95 0.00 17 S 8.03 4.52 0.00 4.02 3.66 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 0.00 0.00 0.00 0.00 18 T 8.40 4.41 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 1.23 0.00 0.00 19 I 8.28 4.23 1.78 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 1.11 0.51 0.61 0.00 0.00 20 V 8.42 4.07 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 0.68 0.00 0.00 0.90 0.00 0.00 21 Y 7.39 4.82 0.00 3.01 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 E 7.42 4.79 0.00 2.18 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 1.99 2.20 0.00 23 D 8.55 4.55 0.00 2.90 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 24 D 8.84 4.58 0.00 2.75 2.83 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 25 E 9.18 4.90 0.00 2.19 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 2.43 2.36 0.00 26 I 7.95 5.39 2.12 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 1.46 1.13 1.01 0.00 0.00 27 F 9.45 5.25 0.00 3.14 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 28 A 9.04 5.47 1.20 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 0.00 0.00 0.00 0.00 0.00 29 F 8.61 5.23 0.00 3.16 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 30 K 8.76 4.48 0.00 1.70 1.78 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.65 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.55 7.81 31 D 8.51 4.48 0.00 2.33 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 0.00 0.00 0.00 0.00 32 I 8.60 4.09 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.77 1.00 0.00 0.00 33 N 8.42 5.02 0.00 2.64 2.75 0.00 0.00 7.16 8.55 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 34 P 0.00 4.59 0.00 2.45 2.08 0.00 3.79 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 35 I 8.52 4.39 1.88 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 1.34 0.67 0.96 0.00 0.00 36 A 7.54 4.72 1.30 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 37 P 0.00 4.36 0.00 2.07 2.14 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 38 I 7.99 4.50 1.89 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 1.11 0.73 0.89 0.00 0.00 39 H 8.77 5.17 0.00 3.31 3.10 0.00 5.63 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 9.01 4.84 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.58 0.84 0.00 0.00 41 L 8.46 4.90 0.00 0.27 0.98 0.62 0.44 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 42 V 8.84 4.90 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 1.15 0.00 0.00 0.89 0.00 0.00 43 I 8.96 5.37 2.12 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 1.79 0.80 1.13 0.00 0.00 44 P 0.00 4.95 0.00 2.45 2.44 0.00 4.22 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 2.31 2.24 0.00 45 K 9.27 4.39 0.00 1.75 1.97 0.00 2.03 0.00 0.00 1.81 0.00 0.00 3.23 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.57 1.68 7.81 46 Q 8.16 4.09 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.03 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 47 H 8.70 4.22 0.00 3.15 3.30 0.00 5.86 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.74 4.49 1.91 0.00 0.00 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 1.39 0.89 0.95 0.00 0.00 49 A 9.05 4.19 1.29 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 0.00 0.00 50 S 7.37 4.48 0.00 3.93 3.93 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 51 L 8.26 3.99 0.00 1.90 1.71 1.02 0.63 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 52 N 7.97 4.56 0.00 2.80 2.87 0.00 0.00 6.95 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 53 E 7.96 4.50 0.00 2.08 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 2.28 2.41 0.00 54 I 7.54 4.17 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.83 1.04 0.00 0.00 55 T 9.44 4.81 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 1.30 0.00 0.00 56 E 8.69 4.41 0.00 2.00 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 2.34 2.32 0.00 57 E 8.17 4.24 0.00 1.96 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 2.31 2.37 0.00 58 N 8.06 5.05 0.00 3.09 3.05 0.00 0.00 6.56 6.97 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 59 E 8.19 4.04 0.00 2.25 2.49 0.00 0.00 0.00 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 2.36 0.00 60 A 8.05 4.01 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 61 F 8.29 4.19 0.00 3.16 3.32 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 62 I 8.06 3.64 1.99 0.00 0.00 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 1.63 1.46 1.05 0.00 0.00 63 G 8.22 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.96 3.98 0.00 1.86 1.87 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.54 7.81 65 V 7.53 3.36 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 0.94 0.00 0.00 0.35 0.00 0.00 66 L 7.96 3.54 0.00 1.59 1.66 0.59 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 8.09 4.16 0.00 2.96 3.09 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 68 K 8.10 3.55 0.00 1.83 1.63 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.27 1.50 7.81 69 V 7.90 3.42 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 1.02 0.00 0.00 0.70 0.00 0.00 70 S 7.78 4.61 0.00 4.19 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 71 L 7.51 3.75 0.00 1.43 1.40 0.35 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 72 I 7.49 3.55 1.74 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.41 0.73 0.00 0.00 73 G 7.82 2.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.76 4.25 0.00 1.93 2.07 0.00 1.56 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.61 1.38 7.81 75 K 7.28 3.99 0.00 1.66 1.88 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.41 7.81 76 E 8.15 4.15 0.00 1.82 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 0.00 2.40 2.39 0.00 77 C 8.25 4.91 0.00 3.08 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 78 P 0.00 4.28 0.00 2.18 2.19 0.00 3.84 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 1.99 1.99 0.00 79 E 8.06 4.23 0.00 2.00 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 0.00 2.28 2.31 0.00 80 G 7.49 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 0.00 0.00 0.00 0.00 81 Y 7.78 5.07 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.19 4.86 0.00 1.92 1.86 0.00 3.17 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 83 V 8.44 5.65 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 1.19 0.00 0.00 1.16 0.00 0.00 84 V 8.54 4.66 2.11 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 0.99 0.00 0.00 0.99 0.00 0.00 85 N 8.85 5.22 0.00 2.62 2.60 0.00 0.00 6.96 7.79 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 86 N 8.77 4.88 0.00 2.72 2.70 0.00 0.00 6.85 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 87 I 8.19 4.38 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 1.34 0.45 0.90 0.00 0.00 88 G 8.96 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 89 E 8.67 3.92 0.00 2.01 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 2.37 2.32 0.00 90 D 8.08 4.34 0.00 2.68 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 91 A 7.96 4.12 1.38 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 0.00 0.00 0.00 92 G 7.97 3.81 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 0.00 0.00 0.00 93 Q 8.06 3.94 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.83 0.00 0.00 0.00 0.00 0.00 2.45 2.30 0.00 94 T 7.83 4.14 4.20 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 0.00 0.00 1.30 0.00 0.00 95 V 7.24 3.61 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 0.14 0.00 0.00 0.30 0.00 0.00 96 K 8.29 4.42 0.00 1.90 1.76 0.00 1.60 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.48 1.47 7.81 97 H 7.54 4.96 0.00 3.12 3.22 0.00 5.76 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.95 3.86 1.95 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 0.88 0.72 1.00 0.00 0.00 99 H 8.23 5.17 0.00 3.17 3.42 0.00 5.57 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 F 9.29 4.76 0.00 3.02 3.07 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 0.00 0.00 0.00 0.00 101 H 9.50 5.04 0.00 3.10 3.28 0.00 5.58 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 9.14 5.00 1.82 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.83 0.76 0.00 0.00 103 L 8.79 5.13 0.00 1.56 1.52 0.90 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 104 G 9.01 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 0.00 105 G 11.22 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 0.00 0.00 0.00 106 K 7.12 4.36 0.00 1.85 1.78 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.47 7.81 107 K 8.42 4.13 0.00 1.78 1.84 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.46 7.81 108 L 8.35 4.22 0.00 1.70 1.67 1.01 0.89 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 0.00 109 A 8.50 4.23 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 0.00 110 W 8.43 4.92 0.00 3.26 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 0.00 111 D 7.78 5.00 0.00 2.58 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 0.00 112 K 8.31 3.90 0.00 1.68 1.68 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.38 7.81 113 L 8.18 4.16 0.00 1.50 1.46 0.74 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00