NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.6580 8.2644 122.4800 51.8639 20.3438 175.6392 2 W 5.0036 9.4324 129.1478 54.8221 34.6069 172.0325 3 K 4.4022 7.4492 126.7380 54.6656 35.2346 174.7504 4 G 3.4941 7.2602 112.4315 46.0148 0.0000 171.1545 5 E 5.2437 8.3803 118.6410 54.5463 32.3400 175.7470 6 V 4.3596 9.1822 124.9506 61.0609 33.5473 174.6769 7 L 4.5670 8.4528 128.7607 54.4189 42.1665 178.6298 8 A 3.3028 8.3553 126.9043 54.3015 18.3060 177.9730 9 N 4.8929 7.8739 110.9946 53.0062 37.9161 175.1993 10 N 4.5799 7.8191 119.3937 52.4927 37.7100 174.8111 11 E 2.6447 8.3166 126.2139 58.1220 30.0989 178.0329 12 A 3.8663 7.8146 120.9157 53.0362 18.6429 178.6790 13 G 3.9471 7.8037 98.9077 45.6141 0.0000 172.5985 14 Q 4.4215 8.7984 121.1879 54.1688 29.9682 175.1801 15 V 3.9033 8.4458 127.4279 63.3671 32.4039 174.9024 16 T 3.7298 7.8729 116.8690 59.4919 71.2773 173.9284 17 S 4.4640 8.0253 113.8649 58.4945 63.8433 173.8634 18 I 4.0996 7.3778 123.8674 61.1099 38.0973 174.7760 19 I 4.6580 8.2486 128.4643 59.6619 38.6333 174.8380 20 Y 4.1256 9.1887 130.5513 57.4952 39.6435 174.1197 21 N 5.1569 8.5484 124.3463 50.3432 41.9060 172.8292 22 P 4.2217 0.0000 0.0000 64.7782 31.6964 177.0243 23 G 3.9364 8.8765 111.4330 44.9588 0.0000 173.2474 24 D 4.3392 7.3439 119.9030 54.4545 41.6104 175.9846 25 V 4.6663 8.3896 122.7345 61.3754 33.4965 174.3976 26 I 5.1986 9.2166 121.4307 59.4427 41.1990 174.3077 27 T 5.1295 8.9136 120.5448 61.9302 71.4782 173.0622 28 I 4.9703 8.7434 126.8620 59.3997 40.6232 174.5950 29 V 4.7808 8.6954 126.3895 61.0427 33.9577 173.8354 30 A 5.2532 9.0410 130.0634 50.2112 21.1768 175.3254 31 A 4.4211 9.8099 122.6205 50.7499 23.7219 175.1621 32 G 3.7721 7.6062 104.0988 43.4650 0.0000 172.2653 33 W 5.8708 8.7004 117.8899 55.0482 32.8124 174.8353 34 A 4.9871 10.0378 125.1502 50.5537 22.9670 174.5249 35 S 5.3677 9.1306 113.3490 56.7516 66.1062 173.9019 36 Y 5.2065 8.7165 122.3961 55.3324 38.2862 176.6870 37 G 4.5817 7.5690 118.8617 46.4977 0.0000 172.0639 38 P 4.3819 0.0000 0.0000 61.9307 31.9167 176.6569 39 T 3.8997 8.2544 113.9548 64.9297 67.4728 174.7951 40 Q 3.9451 7.6827 119.0142 55.5924 29.3009 175.0169 41 K 4.9378 7.3977 117.2561 54.5853 36.1074 175.6272 42 W 5.2290 10.3523 122.6154 55.1306 33.8435 175.3860 43 G 4.4819 8.8681 108.7287 44.4025 0.0000 172.5314 44 P 3.5826 0.0000 0.0000 64.0088 31.1428 177.8156 45 Q 4.1877 7.8741 117.5601 56.7450 29.4365 177.1583 46 G 3.7174 8.2431 106.0426 44.5495 0.0000 172.1342 47 D 4.4056 8.0171 121.4083 52.0416 41.2029 178.2189 48 R 2.0000 7.9977 123.5528 57.1762 29.6804 177.3921 49 E 4.1309 7.9307 117.6206 57.6653 30.0971 175.9513 50 H 4.5230 7.3609 118.9670 54.0836 30.6721 173.1788 51 P 4.2830 0.0000 0.0000 62.4553 31.8963 175.6588 52 D 4.5181 8.3853 119.5468 53.9138 40.4840 175.6375 53 Q 4.5261 8.2605 126.3332 56.3651 29.1701 176.2285 54 G 4.3286 8.6812 106.7611 45.6217 0.0000 175.2095 55 L 4.2100 8.3116 118.7484 54.3335 42.1957 178.1822 56 I 3.6781 7.9504 115.9844 62.9981 37.3678 175.5362 57 C 4.6488 8.4038 120.7372 56.4587 32.7392 173.9566 58 H 4.5826 8.6580 124.7332 58.0245 28.6322 176.0370 59 D 4.6320 7.9295 117.7587 53.7914 40.7751 175.5507 60 A 4.3947 7.1681 120.0053 50.0760 22.4325 176.6171 61 F 4.5164 7.9530 118.1351 56.7494 39.9628 174.8374 62 C 4.0346 8.3296 122.6024 60.9934 31.4721 174.4644 63 G 3.4096 8.5893 115.7498 44.1041 0.0000 173.2537 64 A 4.3695 7.2712 121.4810 51.2677 20.1588 176.6613 65 L 4.7828 8.4421 122.6067 55.0905 43.4950 176.4281 66 V 5.0931 9.0046 118.7918 59.8583 36.6738 173.8067 67 M 5.2991 9.1308 118.0816 53.9068 35.2035 174.1425 68 K 4.8654 8.9861 118.4556 54.6304 36.1350 175.6644 69 I 4.6630 8.8389 124.9284 59.0515 39.2083 176.0598 70 G 3.7514 8.9961 119.5124 46.2920 0.0000 172.7494 71 N 4.7892 8.8060 121.7952 52.9161 38.3722 175.1699 72 S 4.2767 7.7955 113.5992 57.7738 63.5113 173.9256 73 G 3.8479 8.2804 110.8891 45.2599 0.0000 173.1909 74 T 4.3527 8.1501 109.1356 61.7533 70.3452 173.5329 75 I 4.8003 8.7578 124.0369 58.8045 41.0464 173.1569 76 P 4.4235 0.0000 0.0000 62.9712 31.6933 175.9453 77 V 3.8358 8.4562 122.9676 64.1241 33.7912 175.9115 78 N 4.1803 7.7313 116.2373 54.7899 37.5536 177.6431 79 T 3.8382 8.3135 117.1250 63.7556 69.2200 174.9119 80 G 3.7539 5.8892 107.5399 44.2504 0.0000 171.6199 81 L 4.6333 8.0959 119.1425 52.7480 45.1359 175.4385 82 F 4.8579 8.9389 124.9086 57.2529 40.9838 175.6264 83 R 3.7949 7.6953 129.1881 55.6235 28.0090 176.2605 84 W 4.7455 8.6738 127.6705 55.6971 32.5900 174.5730 85 V 4.5444 7.5265 124.5238 60.4499 32.8698 175.2407 86 A 2.5876 8.1278 130.3238 50.7590 18.6560 176.0284 87 P 4.0644 0.0000 0.0000 65.4798 32.1202 176.7726 *89 N 4.5198 7.7703 115.6404 53.3594 39.5862 174.4421 90 V 4.4114 7.2933 116.7787 61.0821 33.8129 174.0731 91 Q 4.7975 8.4040 122.5580 56.0758 31.0102 171.8990 92 G 3.7833 8.8698 104.3244 43.5522 0.0000 172.8374 93 A 4.5327 8.6029 120.3899 52.3443 19.7309 177.0139 94 I 4.5517 8.6163 123.2690 60.8084 38.7665 174.9668 95 T 4.8905 8.6232 124.1467 61.7028 71.1169 173.5249 96 L 4.9733 8.5624 126.4184 53.8699 43.8413 175.8387 97 I 5.0259 8.8431 122.7662 59.7245 41.7622 173.8022 98 Y 4.6704 8.9354 127.3322 57.7986 40.2983 174.0917 99 N 4.7243 8.6157 126.2051 52.9501 39.5435 172.9633 100 D 4.8321 8.1834 125.0549 52.0047 46.0889 173.8096 101 V 4.0963 8.0441 120.0379 61.6896 32.6067 173.6021 102 P 4.7715 0.0000 0.0000 64.6428 31.6153 176.8997 103 G 4.0755 9.6710 110.8343 45.8821 0.0000 174.1140 104 T 4.6192 7.8717 108.3888 61.6860 69.0921 175.0029 105 Y 4.2451 8.2647 121.0305 60.3102 38.3111 177.8448 106 G 3.7449 8.3279 108.4306 47.7399 0.0000 173.8476 107 N 4.8385 8.0874 115.8299 52.5062 37.7742 174.4120 108 N 4.7986 8.0110 117.2070 53.4818 39.5365 174.1984 109 S 4.4760 8.4593 113.9508 57.8758 66.6252 175.2028 110 G 3.9197 9.6490 109.5837 45.8934 0.0000 172.0906 111 S 4.6707 7.4807 110.3259 57.6776 66.0646 175.0685 112 F 5.3366 8.3591 120.1584 56.1579 41.5929 174.7165 113 S 5.1437 9.3032 117.9966 56.5953 64.0068 173.0143 114 V 5.0100 9.0007 126.6051 61.2986 35.1657 173.5272 115 N 5.5808 9.1971 124.5604 51.6103 41.6945 173.6965 116 I 5.1420 9.5422 123.4939 59.5966 41.0301 174.7203 117 G 4.5060 9.2138 113.6785 44.2197 0.0000 171.6382 118 K 4.8445 8.6619 121.9896 55.7970 33.0116 176.7864 119 D 4.8784 9.1034 125.6860 52.7458 43.0961 176.0227 120 Q 4.1496 8.4374 117.8432 56.6333 29.4160 176.4206 121 S 4.1363 8.2324 112.9589 59.0303 62.5642 174.1992 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 1 A 8.26 4.66 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 2 W 9.43 5.00 0.00 3.41 3.05 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 3 K 7.45 4.40 0.00 1.59 1.27 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.63 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.01 1.35 7.81 4 G 7.26 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.38 5.24 0.00 1.92 1.88 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 2.28 2.21 0.00 6 V 9.18 4.36 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 1.14 0.00 0.00 1.18 0.00 0.00 7 L 8.45 4.57 0.00 1.69 1.70 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 8 A 8.36 3.30 0.22 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 9 N 7.87 4.89 0.00 3.00 3.09 0.00 0.00 5.96 8.04 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 10 N 7.82 4.58 0.00 2.87 2.94 0.00 0.00 6.81 6.96 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 11 E 8.32 2.64 0.00 1.37 1.65 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 1.91 1.47 0.00 12 A 7.81 3.87 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 13 G 7.80 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 14 Q 8.80 4.42 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.92 0.00 0.00 0.00 0.00 0.00 2.74 2.48 0.00 15 V 8.45 3.90 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 0.77 0.00 0.00 0.90 0.00 0.00 16 T 7.87 3.73 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 -0.09 0.00 0.00 17 S 8.03 4.46 0.00 4.08 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 18 I 7.38 4.10 1.84 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 1.21 0.91 0.98 0.00 0.00 19 I 8.25 4.66 1.86 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 1.23 0.82 0.92 0.00 0.00 20 Y 9.19 4.13 0.00 3.17 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 21 N 8.55 5.16 0.00 2.56 2.56 0.00 0.00 6.54 8.61 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 22 P 0.00 4.22 0.00 1.99 2.01 0.00 3.61 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 23 G 8.88 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 24 D 7.34 4.34 0.00 1.58 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 25 V 8.39 4.67 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 1.08 0.00 0.00 0.92 0.00 0.00 26 I 9.22 5.20 2.10 0.00 0.00 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 1.73 1.33 1.19 0.00 0.00 27 T 8.91 5.13 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 1.28 0.00 0.00 28 I 8.74 4.97 1.78 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.66 0.95 0.00 0.00 29 V 8.70 4.78 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 1.03 0.00 0.00 0.98 0.00 0.00 30 A 9.04 5.25 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 31 A 9.81 4.42 1.12 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 0.00 0.00 32 G 7.61 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 0.00 0.00 0.00 33 W 8.70 5.87 0.00 3.35 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 34 A 10.04 4.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 9.13 5.37 0.00 4.23 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 36 Y 8.72 5.21 0.00 3.29 3.16 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 37 G 7.57 4.58 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 38 P 0.00 4.38 0.00 2.25 2.08 0.00 2.72 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.00 0.00 39 T 8.25 3.90 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 1.15 0.00 0.00 40 Q 7.68 3.95 0.00 1.33 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.55 0.00 0.00 0.00 0.00 0.00 2.10 2.22 0.00 41 K 7.40 4.94 0.00 1.44 1.94 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.23 1.26 7.81 42 W 10.35 5.23 0.00 3.50 3.30 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 43 G 8.87 4.48 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 0.00 0.00 0.00 44 P 0.00 3.58 0.00 1.86 0.90 0.00 3.37 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 45 Q 7.87 4.19 0.00 2.12 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.63 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 46 G 8.24 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 47 D 8.02 4.41 0.00 1.58 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 0.00 0.00 0.00 48 R 8.00 2.00 0.00 1.20 1.34 0.00 3.03 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00 49 E 7.93 4.13 0.00 2.09 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 2.29 2.46 0.00 50 H 7.36 4.52 0.00 2.98 2.88 0.00 5.95 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 51 P 0.00 4.28 0.00 2.12 1.96 0.00 3.21 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.83 0.00 52 D 8.39 4.52 0.00 2.65 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 53 Q 8.26 4.53 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.42 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 54 G 8.68 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 0.00 0.00 0.00 0.00 55 L 8.31 4.21 0.00 1.57 1.76 0.92 0.75 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 56 I 7.95 3.68 1.89 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 1.29 0.66 1.07 0.00 0.00 57 C 8.40 4.65 0.00 2.85 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 58 H 8.66 4.58 0.00 3.16 3.28 0.00 5.74 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 7.93 4.63 0.00 2.59 2.59 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 60 A 7.17 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 7.95 4.52 0.00 3.20 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 62 C 8.33 4.03 0.00 2.65 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 0.00 0.00 0.00 0.00 63 G 8.59 3.41 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 64 A 7.27 4.37 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 65 L 8.44 4.78 0.00 1.63 1.54 1.22 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 66 V 9.00 5.09 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 0.63 0.00 0.00 0.98 0.00 0.00 67 M 9.13 5.30 0.00 1.87 2.07 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 68 K 8.99 4.87 0.00 1.64 1.68 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.35 7.81 69 I 8.84 4.66 1.88 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 1.17 0.69 1.07 0.00 0.00 70 G 9.00 3.75 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 0.00 0.00 0.00 71 N 8.81 4.79 0.00 2.73 2.83 0.00 0.00 6.77 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 72 S 7.80 4.28 0.00 4.00 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 73 G 8.28 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 74 T 8.15 4.35 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 1.22 0.00 0.00 75 I 8.76 4.80 1.78 0.00 0.00 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 1.26 0.86 0.85 0.00 0.00 76 P 0.00 4.42 0.00 1.82 1.87 0.00 3.60 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.11 0.00 77 V 8.46 3.84 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 0.89 0.00 0.00 0.74 0.00 0.00 78 N 7.73 4.18 0.00 2.79 2.14 0.00 0.00 7.15 7.16 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 79 T 8.31 3.84 4.16 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 1.17 0.00 0.00 80 G 5.89 3.75 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 0.00 0.00 0.00 81 L 8.10 4.63 0.00 1.51 1.31 -0.15 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.94 4.86 0.00 2.97 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 83 R 7.70 3.79 0.00 1.66 1.77 0.00 2.85 0.00 0.00 2.83 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.50 0.00 84 W 8.67 4.75 0.00 3.27 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 85 V 7.53 4.54 1.86 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 0.84 0.00 0.00 0.92 0.00 0.00 86 A 8.13 2.59 0.53 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 0.00 0.00 87 P 0.00 4.06 0.00 2.15 2.16 0.00 3.64 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.05 0.00 *89 N 7.77 4.52 0.00 2.74 2.91 0.00 0.00 6.65 7.68 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 90 V 7.29 4.41 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 0.85 0.00 0.00 0.92 0.00 0.00 91 Q 8.40 4.80 0.00 2.45 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.92 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 92 G 8.87 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 0.00 0.00 0.00 93 A 8.60 4.53 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 94 I 8.62 4.55 1.73 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 1.26 0.80 0.80 0.00 0.00 95 T 8.62 4.89 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 1.17 0.00 0.00 96 L 8.56 4.97 0.00 1.60 1.63 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.84 5.03 1.95 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 1.12 0.76 1.01 0.00 0.00 98 Y 8.94 4.67 0.00 3.17 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 99 N 8.62 4.72 0.00 2.89 2.59 0.00 0.00 6.24 7.77 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 0.00 100 D 8.18 4.83 0.00 2.23 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 0.00 101 V 8.04 4.10 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 0.99 0.00 0.00 0.90 0.00 0.00 102 P 0.00 4.77 0.00 2.13 2.06 0.00 3.86 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 2.08 2.19 0.00 103 G 9.67 4.08 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 0.00 0.00 0.00 104 T 7.87 4.62 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 1.35 0.00 0.00 105 Y 8.26 4.25 0.00 3.08 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 0.00 106 G 8.33 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 0.00 0.00 0.00 107 N 8.09 4.84 0.00 2.87 3.04 0.00 0.00 6.32 6.96 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 0.00 108 N 8.01 4.80 0.00 2.97 2.61 0.00 0.00 6.51 7.82 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 0.00 109 S 8.46 4.48 0.00 3.90 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 0.00 110 G 9.65 3.92 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 0.00 0.00 0.00 111 S 7.48 4.67 0.00 3.78 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 0.00 112 F 8.36 5.34 0.00 3.14 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 0.00 113 S 9.30 5.14 0.00 3.95 3.75 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 0.00 114 V 9.00 5.01 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 1.13 0.00 0.00 1.18 0.00 0.00 115 N 9.20 5.58 0.00 2.68 2.71 0.00 0.00 6.53 7.68 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 0.00 116 I 9.54 5.14 2.13 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.06 1.00 0.00 0.00 117 G 9.21 4.51 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 0.00 0.00 0.00 118 K 8.66 4.84 0.00 1.67 1.76 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.50 7.81 119 D 9.10 4.88 0.00 2.53 2.54 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 0.00 120 Q 8.44 4.15 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 121 S 8.23 4.14 0.00 3.92 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 * Residues marked with a * may have inaccurate shift predictions.