NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.4862 8.4449 120.3903 55.8496 31.1007 171.8283 *2 N 4.4057 8.3266 116.5908 54.2920 39.2464 174.0110 3 G 3.8721 9.0007 106.5180 43.9484 0.0000 171.7932 4 A 4.9166 9.0193 118.9661 50.4854 22.6853 177.8723 5 R 4.3253 8.8901 117.5528 57.4662 31.7290 176.6962 6 K 5.0570 7.9475 118.5153 54.2403 35.8296 175.4440 7 W 5.2908 8.8629 123.8666 54.8659 33.0942 174.8714 8 F 5.0911 9.2270 121.0531 55.9133 42.8879 174.1057 9 F 4.6346 9.5343 121.4720 55.2122 41.2424 173.9240 10 P 4.2777 0.0000 0.0000 64.3163 31.4211 176.4887 11 D 4.6388 8.0537 118.3635 52.5858 40.5369 175.0351 12 G 3.5039 8.2841 111.9147 43.8446 0.0000 169.1560 13 Y 4.6493 8.2990 119.7487 56.7595 43.4993 172.6550 14 I 4.5041 7.7739 127.9544 59.0196 38.5514 173.8663 15 P 4.6588 0.0000 0.0000 62.5692 31.8560 176.3481 16 N 4.7523 8.5799 115.5164 52.6644 37.9276 175.0792 17 G 4.4128 8.0105 107.1971 45.5382 0.0000 172.5662 18 K 5.0944 8.2300 117.6786 55.9381 36.6986 175.3528 19 R 4.2202 9.4615 121.6573 55.1728 33.1838 175.1568 20 G 3.7922 8.9791 117.7316 47.3869 0.0000 175.8074 21 Y 4.5579 8.7385 122.7652 59.3458 38.2450 175.3030 22 L 4.5932 7.8902 120.5082 53.6515 42.9945 176.1032 23 V 4.7704 7.8662 113.9213 59.1559 35.2505 175.8509 24 S 4.4749 8.7012 119.7747 59.6143 63.6075 173.2392 25 H 4.6670 8.4470 117.4572 55.4526 32.4389 172.0402 26 E 5.1646 8.5631 116.3163 54.7201 33.8345 175.2727 27 S 5.1149 9.1225 119.3797 56.7098 66.1575 173.0195 28 L 4.1758 8.9266 128.6487 54.0971 42.7249 174.7956 29 C 4.8704 8.7016 125.5681 58.7059 29.5100 173.4273 30 I 4.9593 8.4767 124.0017 58.1941 41.5507 173.5156 *32 N 4.6786 8.6303 120.7383 54.3074 39.0473 174.2315 33 T 4.3163 8.6275 115.6365 61.3806 69.5104 175.0184 34 G 3.9482 8.0873 112.1222 45.2583 0.0000 173.3702 35 D 4.7552 8.4612 117.0376 54.2042 41.3632 176.3472 36 E 4.8561 7.6113 118.0132 54.2364 33.0945 175.9001 37 T 4.1933 8.6337 119.1589 63.9301 69.5231 173.3701 38 A 4.7669 9.0630 128.1115 50.5985 21.1250 175.9781 39 K 4.7419 9.9532 123.3025 54.8490 34.4239 175.4449 40 I 4.7424 8.7758 126.7507 59.3849 40.3076 174.6221 41 R 5.3365 8.9693 127.8372 54.2433 31.8846 174.7465 42 I 4.5009 9.0252 128.3956 60.0508 39.2417 174.6873 43 T 4.9280 8.2005 124.1684 61.8936 70.9402 173.5395 44 F 4.9095 9.3541 125.7126 55.8051 41.1441 174.7340 45 L 4.9990 8.7800 124.1797 53.1186 44.2371 175.6827 46 F 5.3307 8.5844 119.8507 55.6565 42.2348 175.3217 47 E 4.2847 9.1933 118.6495 59.3873 29.4454 178.0666 48 D 4.9466 8.0913 114.8080 53.9015 42.7506 174.7974 49 S 4.8101 8.0408 113.6376 56.4334 66.7395 173.9044 50 K 4.4442 8.3589 121.0920 55.2699 32.7546 175.4174 51 P 5.5363 0.0000 0.0000 62.6149 32.3433 176.1172 52 V 4.5953 8.6428 120.9452 61.1960 34.8858 174.1210 53 V 5.0867 8.6264 126.8288 61.5605 33.9417 174.0354 54 H 5.1621 9.5715 124.0280 54.0846 33.1360 172.4082 55 E 5.2840 8.5770 117.5040 55.1433 33.7619 175.3118 56 V 4.9048 8.7072 114.7403 60.1862 36.8296 173.6625 57 E 5.2532 8.6493 120.2581 54.8519 33.5662 175.5072 58 I 4.5984 8.5766 122.6612 59.5648 40.9395 175.5800 59 S 4.5025 8.7986 122.9897 56.9472 63.7133 172.9979 60 P 4.4674 0.0000 0.0000 63.0940 29.0664 175.7926 *62 K 4.1708 7.4261 117.8350 56.3382 33.8994 176.3005 63 S 4.9783 8.4828 115.5364 56.7174 65.5145 173.2671 64 L 4.4779 8.8658 126.4434 54.3265 45.2092 174.6085 65 H 5.0188 8.9184 124.8073 54.1063 29.1461 173.3819 66 L 4.1707 8.7768 126.5565 54.3916 43.2683 175.9180 67 R 4.6184 8.6093 126.2530 55.6739 30.1968 177.5367 68 L 4.0968 8.7827 125.7277 56.7998 41.8467 178.2268 69 D 4.5622 8.0322 116.3600 54.1779 39.7807 176.7079 70 K 4.5222 7.6372 119.2290 56.5157 32.4105 176.4870 71 L 4.4288 7.9270 116.1303 54.2711 42.2039 177.5069 72 G 3.8751 8.1964 106.3757 45.3537 0.0000 173.9493 73 I 3.7542 7.1299 120.3993 59.8736 37.6940 174.2458 74 P 4.2613 0.0000 0.0000 62.5827 31.7562 176.5685 75 K 4.0911 8.3461 121.3986 57.1297 32.7994 176.0044 76 C 3.1726 8.3891 115.7667 59.4698 26.1607 173.9068 77 K 4.6175 7.6522 119.3401 53.5449 33.8954 173.4802 78 P 4.9903 0.0000 0.0000 63.8543 32.0149 174.8461 79 Y 5.0123 8.5570 119.3050 56.6031 41.5859 173.0997 80 S 5.2832 9.3315 114.3695 57.2276 67.8869 173.6221 81 I 5.1930 9.0029 121.7988 58.3952 41.4385 173.8989 *83 A 4.4528 8.2981 122.5373 52.3227 20.1764 175.6726 84 E 4.9990 9.1500 121.7561 54.5611 32.6122 175.1480 85 S 5.3772 9.3369 119.8821 56.3896 64.5930 173.7964 86 N 4.6704 8.5743 122.4664 54.8555 37.7940 175.4905 87 V 4.5798 7.5344 111.0895 58.3218 35.6020 173.3799 88 P 4.5869 0.0000 0.0000 63.5391 31.8839 176.0120 89 V 4.5770 9.0131 115.8891 60.3625 37.1033 173.1656 90 V 4.0688 7.7318 119.9854 60.9506 35.7615 173.4545 *92 Q 4.5572 8.3508 121.9060 55.8057 30.6714 173.1392 93 L 4.9115 8.5195 126.9594 53.2612 44.7968 175.2125 94 S 5.0311 8.7576 121.2869 56.6492 67.4027 172.8666 95 R 4.9690 8.4946 122.2939 54.3867 33.5346 173.5624 96 L 4.8577 8.8509 128.3229 53.3371 44.5710 174.3504 97 D 5.2752 8.9806 127.4599 52.5787 43.2321 175.1039 98 V 4.6857 8.7299 125.8697 60.3438 35.0200 174.9339 99 G 4.3730 8.3485 107.6875 45.5755 0.0000 173.7882 100 K 4.1267 8.9665 120.2279 58.8447 32.1703 177.2883 101 N 5.1061 7.9242 114.0203 52.4670 39.4373 173.3125 102 H 4.7730 7.8111 111.2709 55.2512 31.4084 172.2958 103 Y 4.7888 8.2567 119.8904 57.6228 40.6870 173.1767 104 T 4.9185 8.9881 121.4132 60.7538 71.6206 172.3351 105 L 6.0028 8.2843 125.2785 52.1491 45.5717 175.1254 *107 T 4.4083 8.2405 113.3647 63.1179 68.4446 172.7110 108 T 4.6944 8.2398 117.3125 60.8544 71.2250 172.7204 109 I 4.3683 8.7086 128.0138 61.2659 39.1079 175.6032 110 G 3.7152 9.0157 114.8819 45.2753 0.0000 171.9509 111 Y 4.5858 8.3390 121.1398 56.4959 39.9423 174.3792 112 W 4.4919 6.5813 121.8005 54.3755 31.3788 173.9311 113 E 4.2184 8.2194 120.4332 55.1641 33.2298 173.0890 114 E 3.8756 9.1194 124.6413 54.7857 27.1132 172.7681 115 G 3.3842 7.7046 109.0836 45.8642 0.0000 171.4457 116 S 4.4436 8.0348 121.0572 58.2348 62.4836 173.3750 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 0 H 8.44 4.49 0.00 3.15 3.29 0.00 5.73 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 N 8.33 4.41 0.00 2.77 2.76 0.00 0.00 7.06 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 3 G 9.00 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 0.00 0.00 0.00 4 A 9.02 4.92 0.94 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 5 R 8.89 4.33 0.00 1.90 2.14 0.00 3.09 0.00 0.00 3.44 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 6 K 7.95 5.06 0.00 1.78 1.55 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.40 7.81 7 W 8.86 5.29 0.00 3.12 3.11 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 8 F 9.23 5.09 0.00 3.00 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 9 F 9.53 4.63 0.00 3.01 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 10 P 0.00 4.28 0.00 2.07 2.13 0.00 3.81 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 2.02 2.06 0.00 11 D 8.05 4.64 0.00 2.69 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 12 G 8.28 3.50 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 0.00 0.00 0.00 0.00 13 Y 8.30 4.65 0.00 2.93 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 14 I 7.77 4.50 1.80 0.00 0.00 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 1.58 0.96 0.88 0.00 0.00 15 P 0.00 4.66 0.00 2.09 2.13 0.00 3.67 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 2.12 2.37 0.00 16 N 8.58 4.75 0.00 2.78 2.87 0.00 0.00 6.02 7.00 0.00 0.00 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 G 8.01 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 0.00 0.00 0.00 0.00 18 K 8.23 5.09 0.00 1.95 1.87 0.00 1.55 0.00 0.00 1.75 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.45 7.81 19 R 9.46 4.22 0.00 2.02 1.82 0.00 3.40 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 20 G 8.98 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 21 Y 8.74 4.56 0.00 2.95 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 22 L 7.89 4.59 0.00 1.88 1.57 1.03 0.90 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 23 V 7.87 4.77 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 0.76 0.00 0.00 0.93 0.00 0.00 24 S 8.70 4.47 0.00 3.89 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 25 H 8.45 4.67 0.00 3.28 3.36 0.00 5.20 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.56 5.16 0.00 2.00 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 2.31 2.47 0.00 27 S 9.12 5.11 0.00 3.70 3.73 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 28 L 8.93 4.18 0.00 1.66 1.51 0.53 0.75 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 29 C 8.70 4.87 0.00 2.74 2.57 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 0.00 0.00 0.00 0.00 30 I 8.48 4.96 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.73 0.85 0.00 0.00 *32 N 8.63 4.68 0.00 2.72 2.92 0.00 0.00 6.82 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 33 T 8.63 4.32 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 1.19 0.00 0.00 34 G 8.09 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 0.00 0.00 0.00 35 D 8.46 4.76 0.00 2.67 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 36 E 7.61 4.86 0.00 1.80 1.81 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 2.19 2.30 0.00 37 T 8.63 4.19 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 1.28 0.00 0.00 38 A 9.06 4.77 1.23 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 0.00 0.00 0.00 39 K 9.95 4.74 0.00 1.68 1.75 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.40 7.81 40 I 8.78 4.74 1.88 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 1.13 1.06 0.97 0.00 0.00 41 R 8.97 5.34 0.00 2.01 1.79 0.00 3.12 0.00 0.00 3.28 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 42 I 9.03 4.50 1.88 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 1.18 0.59 0.39 0.00 0.00 43 T 8.20 4.93 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 1.24 0.00 0.00 44 F 9.35 4.91 0.00 2.94 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 45 L 8.78 5.00 0.00 1.56 1.58 0.98 0.86 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 46 F 8.58 5.33 0.00 3.18 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 47 E 9.19 4.28 0.00 2.08 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 2.40 2.47 0.00 48 D 8.09 4.95 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 49 S 8.04 4.81 0.00 3.71 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 50 K 8.36 4.44 0.00 1.80 1.81 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.50 7.81 51 P 0.00 5.54 0.00 2.03 2.08 0.00 3.76 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 52 V 8.64 4.60 2.38 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 1.05 0.00 0.00 1.10 0.00 0.00 53 V 8.63 5.09 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 0.97 0.00 0.00 0.99 0.00 0.00 54 H 9.57 5.16 0.00 3.33 3.27 0.00 5.81 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.58 5.28 0.00 1.85 1.79 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 2.31 2.27 0.00 56 V 8.71 4.90 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 0.76 0.00 0.00 0.94 0.00 0.00 57 E 8.65 5.25 0.00 1.79 1.79 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 2.20 2.31 0.00 58 I 8.58 4.60 1.86 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 1.22 0.80 0.89 0.00 0.00 59 S 8.80 4.50 0.00 3.75 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 60 P 0.00 4.47 0.00 2.03 2.22 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.20 0.00 *62 K 7.43 4.17 0.00 1.84 1.77 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.55 1.38 7.81 63 S 8.48 4.98 0.00 3.84 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 64 L 8.87 4.48 0.00 1.73 1.43 0.92 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 8.92 5.02 0.00 3.00 3.24 0.00 5.77 0.00 0.00 0.00 0.00 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.78 4.17 0.00 1.76 1.69 0.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.61 4.62 0.00 1.75 2.05 0.00 3.29 0.00 0.00 3.19 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.54 0.00 68 L 8.78 4.10 0.00 1.74 1.77 1.15 1.09 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 69 D 8.03 4.56 0.00 2.77 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 70 K 7.64 4.52 0.00 1.65 1.79 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.33 7.81 71 L 7.93 4.43 0.00 1.26 1.24 0.78 0.93 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 72 G 8.20 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 7.13 3.75 1.58 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 0.82 0.07 0.68 0.00 0.00 74 P 0.00 4.26 0.00 1.96 1.91 0.00 3.53 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.98 0.00 75 K 8.35 4.09 0.00 1.68 1.64 0.00 1.86 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.40 7.81 76 C 8.39 3.17 0.00 3.02 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 77 K 7.65 4.62 0.00 1.69 1.93 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.62 1.50 7.81 78 P 0.00 4.99 0.00 2.23 2.18 0.00 4.05 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.17 0.00 79 Y 8.56 5.01 0.00 2.76 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 80 S 9.33 5.28 0.00 3.79 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 81 I 9.00 5.19 2.10 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 2.20 0.71 0.00 0.00 *83 A 8.30 4.45 1.31 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 84 E 9.15 5.00 0.00 1.86 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 0.00 2.17 2.12 0.00 85 S 9.34 5.38 0.00 3.87 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 86 N 8.57 4.67 0.00 2.73 2.95 0.00 0.00 6.70 7.54 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 87 V 7.53 4.58 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 0.74 0.00 0.00 0.95 0.00 0.00 88 P 0.00 4.59 0.00 2.06 2.11 0.00 3.67 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 2.05 2.15 0.00 89 V 9.01 4.58 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 0.74 0.00 0.00 1.02 0.00 0.00 90 V 7.73 4.07 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 0.68 0.00 0.00 0.91 0.00 0.00 *92 Q 8.35 4.56 0.00 2.17 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.63 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 93 L 8.52 4.91 0.00 0.32 1.11 0.79 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.76 5.03 0.00 3.75 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 95 R 8.49 4.97 0.00 1.98 1.72 0.00 3.17 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 96 L 8.85 4.86 0.00 1.53 1.10 0.37 0.74 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 97 D 8.98 5.28 0.00 2.77 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 98 V 8.73 4.69 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 0.53 0.00 0.00 0.88 0.00 0.00 99 G 8.35 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 0.00 100 K 8.97 4.13 0.00 1.75 1.88 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.49 7.81 101 N 7.92 5.11 0.00 2.74 2.80 0.00 0.00 6.70 8.16 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 0.00 102 H 7.81 4.77 0.00 3.35 3.37 0.00 5.30 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 8.26 4.79 0.00 2.96 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 0.00 104 T 8.99 4.92 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 1.33 0.00 0.00 105 L 8.28 6.00 0.00 1.59 1.60 1.03 0.98 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 *107 T 8.24 4.41 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 1.25 0.00 0.00 108 T 8.24 4.69 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 1.45 0.00 0.00 109 I 8.71 4.37 2.04 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 1.54 1.25 1.22 0.00 0.00 110 G 9.02 3.72 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 0.00 0.00 0.00 111 Y 8.34 4.59 0.00 2.97 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 0.00 112 W 6.58 4.49 0.00 1.85 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 0.00 0.00 0.00 113 E 8.22 4.22 0.00 2.00 1.78 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 2.15 2.10 0.00 114 E 9.12 3.88 0.00 2.20 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 2.28 2.29 0.00 115 G 7.70 3.38 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 0.00 116 S 8.03 4.44 0.00 4.06 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 * Residues marked with a * may have inaccurate shift predictions.