NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2031 8.2601 123.5760 51.6676 20.3172 176.1837 3 A 3.8699 8.5531 124.5255 53.8329 19.0735 172.2575 4 V 4.9283 7.4834 113.8444 61.4515 34.9737 172.7865 5 T 4.7556 9.1538 118.2926 59.9933 71.5589 172.8421 6 Q 5.4830 8.7748 123.3542 54.4274 31.4613 175.0552 7 S 4.8526 8.9682 116.5980 56.1338 66.8986 172.3072 8 P 4.8190 0.0000 0.0000 62.5331 32.5312 176.0527 9 R 4.3549 8.3974 115.9679 58.2328 31.2873 176.6423 10 N 5.5979 7.9374 114.0539 51.7193 43.0752 174.1758 11 K 4.5444 8.9858 122.6452 55.2808 36.3384 174.3996 12 V 4.9845 8.5258 126.7387 61.1224 33.6121 174.2110 13 A 4.9785 9.1057 128.7061 50.3021 23.0722 174.9663 14 V 4.5366 8.9545 112.4067 59.5957 34.3551 176.2927 15 T 4.1095 7.8395 119.1096 65.9410 68.6727 174.8563 16 G 4.2128 8.9706 115.2265 44.2822 0.0000 173.4273 17 E 4.0739 8.0274 121.7018 55.9893 30.8887 175.5593 18 K 4.7421 8.4833 127.8463 55.9387 33.3394 175.9133 19 V 4.4425 8.9550 127.1783 61.3067 34.9259 174.0082 20 T 4.8503 8.4663 123.3561 61.7096 71.0946 173.1412 21 L 4.7351 8.6753 126.5456 53.0866 44.3538 175.5766 22 S 5.3666 9.3010 119.3784 56.9727 66.0588 172.3629 23 C 5.6307 9.2295 123.3697 54.8660 45.7067 172.5169 24 Q 5.4055 9.4744 124.5721 54.3912 31.3192 174.4115 25 Q 5.2479 8.9991 120.0273 54.5085 31.7148 175.1143 26 T 4.6093 8.4929 107.8645 61.6611 69.4924 174.3568 27 N 4.5294 8.5704 117.6927 52.9064 39.0728 174.2186 28 N 4.2057 8.0865 115.0806 54.4810 37.6403 173.5478 29 H 4.6436 8.5997 112.3261 55.1871 29.4373 175.9041 30 N 4.4967 8.7882 120.2467 55.5541 38.9256 175.1844 31 N 5.1928 7.9759 114.9496 51.9231 41.0623 174.4228 32 M 4.9738 8.1825 120.7376 54.0474 37.1987 173.7819 33 Y 5.3047 8.7359 116.8027 56.4626 43.2328 174.1431 34 W 5.4446 9.5945 123.0348 55.3990 31.8748 174.5568 35 Y 5.4189 9.9275 122.7040 56.1908 41.2947 174.8056 36 R 5.0461 8.9920 116.8793 54.5044 33.2474 174.1400 37 Q 5.0801 9.0972 122.1904 54.6749 31.2755 174.0266 38 D 5.0538 8.7084 125.1559 52.3306 45.3733 175.4795 39 T 3.8951 8.7176 118.7488 65.6905 68.8136 174.5915 40 G 3.9558 9.1888 113.2089 45.9918 0.0000 173.4117 41 H 4.7322 8.1565 114.4735 53.7014 32.2727 175.6645 42 G 3.7170 7.9579 107.8422 45.7826 0.0000 172.1427 43 L 4.7657 8.3012 121.5108 54.5504 42.6809 176.2646 44 R 4.8687 9.0493 122.0293 54.1905 33.9908 174.4250 45 L 3.9581 8.7071 125.7444 55.2627 43.0223 176.4299 46 I 3.9881 8.9975 128.2421 63.3354 38.0685 175.2982 47 H 5.5710 7.9425 117.0519 54.7625 33.9653 171.1918 48 Y 5.3749 8.4349 117.6574 56.1320 42.2700 173.4393 49 S 4.3701 8.3076 112.5363 57.1274 65.8048 173.9664 50 Y 5.1366 7.9945 122.5718 56.3005 38.4038 175.5513 51 G 3.8793 7.1359 109.5232 44.9207 0.0000 171.8296 52 A 4.2743 8.1979 122.3066 53.6950 18.5047 178.2133 53 G 3.9018 9.2425 110.3781 45.4820 0.0000 173.0008 54 S 4.8628 7.9157 114.7517 56.4060 64.1760 173.4357 55 T 4.7483 8.2834 115.8559 60.1791 71.9071 172.8064 56 E 4.5796 8.5513 121.9118 54.1729 34.2682 174.9971 57 K 4.2909 8.6035 121.7763 56.3803 32.5236 177.6940 58 G 4.2236 8.6142 118.0120 46.9980 0.0000 174.7641 59 D 4.7497 9.0455 121.1685 55.4527 41.6565 177.0905 60 I 4.8037 7.3449 110.6758 59.2334 35.6356 174.7572 61 P 4.4311 0.0000 0.0000 65.1585 32.5287 176.8635 62 D 4.5811 7.9764 119.8413 55.7461 41.0502 176.6308 63 G 3.8034 9.1533 111.7910 45.1885 0.0000 172.4279 64 Y 4.9736 7.7221 116.3585 56.0680 41.2326 175.1029 65 K 4.7186 9.0712 121.6295 54.8279 35.9804 174.5244 66 A 4.9873 8.0216 121.2469 51.1257 22.6984 175.5136 67 S 4.5207 8.8416 112.8421 57.0846 66.5125 173.2733 68 R 5.3687 8.8291 126.5757 53.0507 29.2321 173.7362 69 P 4.6142 0.0000 0.0000 64.2267 32.2895 176.7438 70 S 4.6008 7.5671 112.4900 56.8446 65.9226 174.5422 71 Q 3.9645 8.7182 121.3924 59.2219 28.8931 177.0495 72 E 4.2464 7.9414 115.1248 57.9274 30.7670 176.4255 73 Q 5.1739 8.0771 122.2997 54.0823 31.9455 174.0245 74 F 5.6481 9.3884 128.4823 56.8356 42.1034 173.8983 75 S 5.1583 9.4970 122.5729 56.7276 65.9328 172.7476 76 L 4.6557 8.2026 125.4481 53.0690 44.3336 174.9670 77 I 4.6968 8.5444 126.8164 59.4888 40.3898 174.4600 78 L 4.5969 8.9315 128.3533 52.9749 42.2469 177.4712 79 E 3.9395 8.7344 124.9928 59.1043 29.9544 177.6084 80 S 4.6462 7.4871 113.3067 56.2355 64.0907 172.3490 81 A 4.6047 9.1007 128.3185 52.1494 19.4556 176.2917 82 T 4.8258 8.7366 111.1585 59.0023 72.0932 173.5274 83 P 4.2281 0.0000 0.0000 65.7086 31.5115 178.7019 84 S 4.3122 8.0229 110.8847 60.2315 62.8986 174.6252 85 Q 4.4937 7.9650 119.4104 56.6386 29.0089 176.0173 86 T 4.2151 7.8653 116.4212 64.1274 69.0367 173.7509 87 S 4.5346 8.3271 119.7490 58.4088 67.7727 174.6961 88 V 4.7836 7.3429 120.0969 61.3622 33.6190 174.0248 89 Y 5.2053 9.2205 126.1080 56.6023 40.3088 174.6795 90 F 5.2957 9.8176 122.1215 55.9325 42.7905 173.3989 91 C 4.9637 9.3412 122.9658 54.8808 41.2201 172.1699 92 A 4.9969 8.6863 124.3007 50.1745 22.5570 175.1836 93 S 5.2694 9.0352 114.5374 56.8971 66.8117 173.2495 94 G 4.3389 9.1917 107.1068 45.5076 0.0000 173.2260 95 G 3.5990 8.7797 111.8625 44.5417 0.0000 172.0465 96 G 3.7886 9.7961 112.5143 47.4933 0.0000 170.5669 97 G 4.2833 9.0348 117.4705 44.8065 0.0000 172.3956 98 T 4.5498 7.1200 110.4656 59.4554 71.5139 173.3501 99 L 4.9240 7.8980 121.8738 53.4073 45.7954 175.1129 100 Y 4.8832 8.7586 120.8414 56.2998 41.1462 175.2062 *107 F 4.6156 8.6200 120.9903 57.2822 40.2341 175.3428 108 G 3.9938 8.6891 112.8003 44.7467 0.0000 173.6201 109 A 4.2658 8.4358 120.7813 52.6613 18.8157 178.3805 110 G 3.1970 8.4432 102.9814 44.7254 0.0000 173.2100 111 T 4.7681 8.8178 117.9075 61.4517 72.2358 172.9269 112 R 4.8388 8.8097 127.6750 55.2338 31.8423 174.5795 113 L 5.3219 9.1302 128.6697 53.4187 44.9962 174.9202 114 S 5.1833 8.9698 122.1793 56.6757 65.8534 173.1316 115 V 4.7117 8.5571 124.4326 61.0505 33.4894 175.3606 116 L 4.3328 8.8769 127.4691 54.9731 41.7691 176.7842 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 2 A 8.26 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 3 A 8.55 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 7.48 4.93 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 0.86 0.00 0.00 1.05 0.00 0.00 5 T 9.15 4.76 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 6 Q 8.77 5.48 0.00 2.01 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 7 S 8.97 4.85 0.00 3.87 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 8 P 0.00 4.82 0.00 2.38 2.12 0.00 3.72 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 1.97 1.96 0.00 9 R 8.40 4.35 0.00 1.78 2.03 0.00 3.29 0.00 0.00 3.37 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 10 N 7.94 5.60 0.00 2.55 2.67 0.00 0.00 6.62 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.99 4.54 0.00 1.83 1.57 0.00 1.45 0.00 0.00 1.55 0.00 0.00 2.83 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.29 1.40 7.81 12 V 8.53 4.98 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 0.86 0.00 0.00 0.94 0.00 0.00 13 A 9.11 4.98 1.17 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 0.00 0.00 14 V 8.95 4.54 2.07 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 0.72 0.00 0.00 0.97 0.00 0.00 15 T 7.84 4.11 4.22 0.00 0.00 0.00 0.00 0.00 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 16 G 8.97 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 0.00 0.00 0.00 0.00 17 E 8.03 4.07 0.00 2.12 1.84 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 2.26 2.22 0.00 18 K 8.48 4.74 0.00 1.76 1.65 0.00 1.98 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.34 1.52 7.81 19 V 8.95 4.44 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 0.77 0.00 0.00 0.86 0.00 0.00 20 T 8.47 4.85 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 1.13 0.00 0.00 21 L 8.68 4.74 0.00 0.61 1.24 0.07 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.30 5.37 0.00 3.86 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 23 C 9.23 5.63 0.00 2.67 3.06 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 0.00 0.00 0.00 24 Q 9.47 5.41 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.41 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 25 Q 9.00 5.25 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.06 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 26 T 8.49 4.61 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 1.20 0.00 0.00 27 N 8.57 4.53 0.00 2.52 2.65 0.00 0.00 7.09 8.00 0.00 0.00 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 N 8.09 4.21 0.00 2.80 2.84 0.00 0.00 7.10 7.89 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 29 H 8.60 4.64 0.00 3.33 3.40 0.00 5.73 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.79 4.50 0.00 2.71 3.04 0.00 0.00 6.89 8.00 0.00 0.00 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 N 7.98 5.19 0.00 2.87 2.47 0.00 0.00 6.67 6.95 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 32 M 8.18 4.97 0.00 1.77 1.21 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 33 Y 8.74 5.30 0.00 3.04 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 34 W 9.59 5.44 0.00 3.19 2.92 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 0.00 0.00 0.00 35 Y 9.93 5.42 0.00 3.42 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 36 R 8.99 5.05 0.00 1.41 1.45 0.00 2.75 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 37 Q 9.10 5.08 0.00 2.22 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 38 D 8.71 5.05 0.00 2.77 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.72 3.90 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 1.21 0.00 0.00 40 G 9.19 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 0.00 0.00 0.00 41 H 8.16 4.73 0.00 3.18 3.31 0.00 5.99 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.96 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 43 L 8.30 4.77 0.00 1.41 1.46 0.20 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 44 R 9.05 4.87 0.00 1.77 1.85 0.00 3.12 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 45 L 8.71 3.96 0.00 1.71 1.56 0.46 1.12 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 46 I 9.00 3.99 1.81 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.47 0.37 0.00 0.00 47 H 7.94 5.57 0.00 3.13 3.22 0.00 5.57 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.43 5.37 0.00 2.54 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 49 S 8.31 4.37 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 50 Y 7.99 5.14 0.00 2.95 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 51 G 7.14 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 52 A 8.20 4.27 1.25 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 0.00 0.00 0.00 53 G 9.24 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 54 S 7.92 4.86 0.00 3.86 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 55 T 8.28 4.75 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 1.33 0.00 0.00 56 E 8.55 4.58 0.00 1.16 1.41 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 1.73 2.02 0.00 57 K 8.60 4.29 0.00 1.67 1.78 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.49 7.81 58 G 8.61 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.05 4.75 0.00 2.63 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 60 I 7.34 4.80 1.95 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 1.32 0.74 0.95 0.00 0.00 61 P 0.00 4.43 0.00 2.26 2.34 0.00 3.83 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 2.11 2.01 0.00 62 D 7.98 4.58 0.00 2.73 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 63 G 9.15 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 0.00 0.00 0.00 64 Y 7.72 4.97 0.00 2.98 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 65 K 9.07 4.72 0.00 1.59 1.63 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.33 7.81 66 A 8.02 4.99 1.01 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 0.00 0.00 0.00 67 S 8.84 4.52 0.00 3.88 3.65 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 68 R 8.83 5.37 0.00 1.95 1.75 0.00 3.63 0.00 0.00 2.96 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 69 P 0.00 4.61 0.00 2.24 2.19 0.00 4.16 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 70 S 7.57 4.60 0.00 4.12 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 71 Q 8.72 3.96 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.17 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 72 E 7.94 4.25 0.00 2.22 2.36 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 2.31 2.41 0.00 73 Q 8.08 5.17 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 74 F 9.39 5.65 0.00 2.89 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 75 S 9.50 5.16 0.00 3.72 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 76 L 8.20 4.66 0.00 0.27 0.15 0.61 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.54 4.70 1.78 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.43 0.83 0.00 0.00 78 L 8.93 4.60 0.00 1.53 1.44 0.73 0.75 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 79 E 8.73 3.94 0.00 1.89 1.96 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 2.25 2.19 0.00 80 S 7.49 4.65 0.00 3.79 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 0.00 81 A 9.10 4.60 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.74 4.83 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 83 P 0.00 4.23 0.00 2.20 2.15 0.00 3.58 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 2.11 2.08 0.00 84 S 8.02 4.31 0.00 3.99 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 85 Q 7.97 4.49 0.00 2.21 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.85 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 86 T 7.87 4.22 4.35 0.00 0.00 0.00 0.00 0.00 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 87 S 8.33 4.53 0.00 3.78 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 88 V 7.34 4.78 2.23 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 0.83 0.00 0.00 0.99 0.00 0.00 89 Y 9.22 5.21 0.00 3.12 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 90 F 9.82 5.30 0.00 3.26 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.34 4.96 0.00 1.23 2.29 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 92 A 8.69 5.00 0.31 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 93 S 9.04 5.27 0.00 3.99 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 0.00 94 G 9.19 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 95 G 8.78 3.60 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 0.00 96 G 9.80 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 97 G 9.03 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 T 7.12 4.55 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 1.13 0.00 0.00 99 L 7.90 4.92 0.00 1.36 1.49 0.71 0.71 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 0.00 100 Y 8.76 4.88 0.00 2.93 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 *107 F 8.62 4.62 0.00 3.15 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 0.00 108 G 8.69 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 0.00 0.00 0.00 109 A 8.44 4.27 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 0.00 110 G 8.44 3.20 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 0.00 111 T 8.82 4.77 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 1.30 0.00 0.00 112 R 8.81 4.84 0.00 1.94 2.02 0.00 3.06 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 1.63 1.62 0.00 113 L 9.13 5.32 0.00 1.80 1.75 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.97 5.18 0.00 3.82 3.74 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 0.00 115 V 8.56 4.71 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 0.78 0.00 0.00 0.98 0.00 0.00 116 L 8.88 4.33 0.00 1.78 1.54 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.