NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 5.0110 8.2829 119.3919 57.4553 40.4305 176.1712 4 K 4.2081 7.8038 127.2613 58.4694 32.6539 179.1057 5 K 4.1486 8.3039 123.7305 60.2438 31.9008 182.0661 6 V 3.8370 7.8393 118.8836 65.5457 31.4646 177.6791 7 A 4.0630 7.8566 122.0626 55.6828 18.0594 180.4298 8 K 3.9416 8.2417 122.0086 60.1673 31.9057 181.1725 9 E 4.1536 8.0028 119.6715 59.6170 29.2709 179.9551 10 T 3.7921 8.2334 115.4381 66.5526 68.5270 176.3411 11 A 4.0079 8.2121 122.9486 55.4259 18.3754 179.5712 12 I 3.6562 8.0181 118.2898 64.9024 37.1833 178.5493 13 T 3.8473 7.8460 116.3257 66.8699 68.2910 176.4197 14 L 4.1566 8.3000 122.2480 58.0541 42.0091 178.5780 15 Q 3.9677 8.4405 120.2083 59.1826 29.0742 177.9245 16 S 4.3845 8.0670 115.2463 60.9073 62.3604 175.6558 17 Y 4.0713 8.4911 122.2912 60.9655 38.5511 178.2685 18 L 4.0054 8.4918 119.9695 57.7816 41.5195 179.5595 19 T 3.8021 7.9122 116.0598 66.7236 68.3907 175.4923 20 Y 3.9815 7.8864 121.2378 60.9958 38.6601 178.3238 21 Q 3.2330 7.8268 119.8018 58.9490 29.0403 178.1625 22 A 3.9075 8.0225 122.0995 55.1811 18.4315 179.8269 23 V 3.5731 8.1155 119.5192 66.4659 31.5232 179.1499 24 R 3.7771 7.7935 123.1038 62.0494 29.1682 182.1359 25 L 4.1664 8.0949 123.7478 59.5397 40.7032 181.5399 26 I 4.0180 8.1030 122.1981 65.1779 36.9535 178.9666 27 S 4.2585 8.5665 121.6093 64.3285 62.2366 179.3585 28 Q 4.4182 8.3383 125.8079 61.1513 27.7812 182.0256 29 Q 4.2986 7.8656 122.9114 59.4885 27.8511 180.0237 30 L 4.6699 8.0305 120.0038 57.1632 41.7902 179.7361 31 S 4.2419 7.9274 120.7869 63.5528 62.2804 181.7216 32 E 4.5689 8.2513 121.8804 60.3094 29.9439 181.1399 33 T 4.6991 7.4619 113.0873 64.8071 71.1170 180.3917 34 N 5.2926 7.7177 117.6247 48.6341 39.0548 175.2818 35 P 4.5874 0.0000 0.0000 65.4823 31.4657 178.1305 36 G 3.7134 8.3012 106.9438 48.6353 0.0000 175.9168 37 Q 4.1335 8.1182 122.8603 59.4895 27.6859 180.8752 38 A 4.3377 8.2614 124.6143 56.0289 18.4214 180.1873 39 I 3.7496 7.8645 118.3980 65.0984 35.4316 179.8969 40 W 4.3532 8.1123 131.1148 60.9040 30.5482 178.5885 41 L 4.3114 8.3109 122.2225 59.5560 40.3347 181.4733 42 G 3.9196 8.0034 108.6509 47.7556 0.0000 176.2403 43 E 3.9517 8.1926 120.6988 59.6873 29.4965 180.1233 44 F 4.1882 7.3856 118.0778 60.6828 40.2001 177.9278 45 S 4.8157 8.7971 116.5530 61.9871 62.5495 177.1768 46 K 4.1873 8.1528 129.3316 60.1024 31.5168 183.4954 47 R 4.1560 6.9937 117.5970 59.6581 29.7496 179.6199 48 H 4.9207 7.9767 113.9889 53.1416 32.3895 171.3948 49 P 4.3785 0.0000 0.0000 63.0816 31.0621 177.7236 50 I 3.0884 8.4130 123.7678 61.6345 35.4629 174.0410 51 Q 4.2467 7.7844 117.4632 58.2156 28.7365 181.9603 52 E 4.4115 7.7703 118.6541 55.0783 28.0714 176.8766 53 S 4.1131 8.4112 117.3819 61.5942 62.7168 174.8674 54 D 4.4547 8.2915 123.4103 57.8069 40.8332 178.8568 55 L 3.9335 8.0818 122.1604 60.0703 40.7094 180.8453 56 Y 4.3193 8.2902 119.7347 60.8222 38.7629 178.2962 57 L 4.0033 8.1145 119.6113 57.6383 41.5564 178.8179 58 E 3.9086 8.7553 118.5396 59.4458 29.4221 178.6707 59 A 4.1498 8.0887 120.2569 55.6042 18.4974 179.3305 60 M 3.4107 8.2103 116.6101 58.4399 31.8703 177.8640 61 M 3.9891 8.1978 118.8865 58.8558 32.2275 178.0828 62 L 3.9961 7.3418 117.0433 57.2733 41.8573 178.4844 63 E 4.6519 7.6700 116.3902 56.2863 33.2786 175.9489 64 N 4.6287 8.7988 119.2330 50.6930 39.2778 174.6332 65 K 3.8490 8.2726 131.1761 60.6688 32.0071 179.7753 66 E 4.2569 8.0795 117.0196 59.5900 29.7777 179.4705 67 L 4.6003 7.2500 117.1087 57.5375 43.3620 177.9962 68 V 3.5774 7.4285 118.0403 66.4594 31.1783 177.9277 69 L 3.9755 7.9601 118.5140 57.7403 41.3468 179.6888 70 R 4.0074 7.7925 115.5745 58.8701 29.7038 178.5907 71 I 3.6640 8.1829 121.0081 64.3571 36.6906 177.9547 72 L 3.9801 8.1208 119.7914 58.3471 41.5179 179.9896 73 T 3.7216 7.6795 115.0041 66.5771 68.4481 176.8079 74 V 3.5324 8.0326 120.4502 66.3541 31.6137 177.7614 75 R 3.9063 8.4015 118.4967 59.4775 29.6480 177.4494 76 E 4.1350 7.6125 117.9546 58.2663 29.9898 177.7214 77 N 4.2612 8.1248 116.6008 56.2577 38.7039 176.7473 78 L 3.8141 8.3031 121.6400 58.1834 42.1582 178.4594 79 A 3.9700 7.8181 120.3599 55.5456 17.2493 179.3150 80 E 3.9757 8.3415 116.6436 59.6957 29.4461 179.9628 81 G 3.4611 7.8526 103.2633 46.4079 0.0000 175.2319 82 V 3.8536 7.4452 120.2516 65.2419 31.9827 177.7201 83 L 4.1294 7.8763 119.3128 57.8715 41.4891 179.9842 84 E 4.1609 7.2606 118.3638 61.3473 30.2170 184.3434 85 F 4.8703 8.1984 119.2505 60.0126 38.8714 177.6444 86 L 4.0441 8.1699 118.4336 57.6829 41.4823 177.7382 87 P 4.3232 0.0000 0.0000 66.2005 31.2699 179.0257 88 E 4.0208 8.2453 116.6030 61.5607 29.5008 180.5221 89 M 4.2079 7.9487 119.4114 58.2115 32.0693 178.9694 90 V 3.5533 8.1982 118.3464 66.0933 31.8316 177.8580 91 L 3.9651 7.9721 120.2201 58.1432 41.8503 179.1096 92 S 4.1613 7.9451 113.8783 61.5241 63.2579 176.3080 93 Q 4.0844 8.3869 122.0409 58.6631 28.2562 179.2939 94 I 3.7512 8.1315 123.3029 64.8748 37.2377 178.7867 95 K 3.8006 8.0050 124.4793 60.3077 31.4276 180.6600 96 Q 4.1260 8.5376 121.0101 58.9469 29.0288 178.1163 97 S 4.0690 8.0649 114.2343 61.3182 62.4526 175.6016 98 N 4.4317 9.1145 120.3822 56.7056 38.3101 176.8966 99 G 3.7619 8.3432 106.7768 48.2441 0.0000 174.9031 100 N 4.2368 8.2984 118.7235 56.2444 38.7665 177.3260 101 H 4.2143 8.1882 117.0911 59.1400 28.6730 177.8102 102 R 3.9477 8.3570 120.0183 58.8843 30.0614 179.0754 103 R 3.8735 8.1025 117.6024 59.7408 30.2840 178.9991 104 S 4.1180 8.0602 112.5961 61.1206 62.4409 175.9430 105 L 3.9607 8.1089 123.1619 58.0698 41.6505 178.8884 106 L 3.9985 8.0653 118.2677 57.7350 41.9460 178.9004 107 E 4.1043 8.0196 118.1162 59.6669 29.5686 179.5088 108 R 3.9502 7.9801 118.6260 58.8996 29.9024 177.5241 109 L 4.4049 7.5904 116.4493 56.6485 41.0601 177.4556 110 T 4.4479 7.6974 115.2007 62.1001 68.1486 175.2077 111 Q 3.8298 8.5269 121.2084 57.4834 27.1453 182.6208 112 V 3.8664 8.4511 116.2833 61.1660 31.5140 178.4799 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 F 8.28 5.01 0.00 3.16 2.99 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 4 K 7.80 4.21 0.00 1.84 1.80 0.00 1.81 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.13 7.81 5 K 8.30 4.15 0.00 1.75 1.86 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.08 7.81 6 V 7.84 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 1.03 0.00 0.00 0.92 0.00 0.00 7 A 7.86 4.06 1.48 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 8 K 8.24 3.94 0.00 1.78 1.83 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 9 E 8.00 4.15 0.00 2.15 2.05 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 2.34 2.59 0.00 10 T 8.23 3.79 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 1.20 0.00 0.00 11 A 8.21 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 12 I 8.02 3.66 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.87 0.93 0.00 0.00 13 T 7.85 3.85 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 1.19 0.00 0.00 14 L 8.30 4.16 0.00 1.95 1.79 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.44 3.97 0.00 2.35 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.52 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 16 S 8.07 4.38 0.00 3.98 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 17 Y 8.49 4.07 0.00 3.17 3.14 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 18 L 8.49 4.01 0.00 1.97 1.73 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.91 3.80 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 1.21 0.00 0.00 20 Y 7.89 3.98 0.00 2.94 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 21 Q 7.83 3.23 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 22 A 8.02 3.91 1.34 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 23 V 8.12 3.57 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 0.93 0.00 0.00 1.05 0.00 0.00 24 R 7.79 3.78 0.00 1.86 1.92 0.00 3.34 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 25 L 8.09 4.17 0.00 1.60 1.73 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.10 4.02 2.02 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 1.63 0.87 0.92 0.00 0.00 27 S 8.57 4.26 0.00 3.65 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 28 Q 8.34 4.42 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 29 Q 7.87 4.30 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 30 L 8.03 4.67 0.00 1.73 1.75 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.93 4.24 0.00 3.69 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 32 E 8.25 4.57 0.00 2.06 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 2.19 1.93 0.00 33 T 7.46 4.70 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 1.21 0.00 0.00 34 N 7.72 5.29 0.00 2.56 2.68 0.00 0.00 7.13 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 35 P 0.00 4.59 0.00 2.16 2.18 0.00 3.58 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 2.13 2.44 0.00 36 G 8.30 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 0.00 0.00 0.00 37 Q 8.12 4.13 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 38 A 8.26 4.34 1.45 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 39 I 7.86 3.75 1.87 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 1.41 0.70 0.91 0.00 0.00 40 W 8.11 4.35 0.00 3.47 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.31 4.31 0.00 1.73 1.67 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.00 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 43 E 8.19 3.95 0.00 2.00 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 2.25 2.20 0.00 44 F 7.39 4.19 0.00 2.04 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 45 S 8.80 4.82 0.00 4.18 4.44 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 0.00 0.00 0.00 46 K 8.15 4.19 0.00 1.89 1.77 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.32 7.81 47 R 6.99 4.16 0.00 1.88 1.87 0.00 3.18 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 48 H 7.98 4.92 0.00 2.54 3.15 0.00 5.82 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 49 P 0.00 4.38 0.00 2.23 2.22 0.00 3.77 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 2.12 1.97 0.00 50 I 8.41 3.09 1.87 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 1.27 0.69 0.91 0.00 0.00 51 Q 7.78 4.25 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.43 0.00 0.00 0.00 0.00 0.00 2.26 1.94 0.00 52 E 7.77 4.41 0.00 2.13 1.98 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 2.34 2.42 0.00 53 S 8.41 4.11 0.00 3.91 3.91 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 54 D 8.29 4.45 0.00 2.78 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 55 L 8.08 3.93 0.00 1.64 1.72 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 8.29 4.32 0.00 3.37 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 57 L 8.11 4.00 0.00 1.93 1.77 1.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.76 3.91 0.00 1.99 2.31 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 2.36 2.38 0.00 59 A 8.09 4.15 1.45 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 60 M 8.21 3.41 0.00 1.80 1.29 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.30 0.00 61 M 8.20 3.99 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 62 L 7.34 4.00 0.00 1.79 1.78 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 63 E 7.67 4.65 0.00 2.06 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 0.00 2.39 2.39 0.00 64 N 8.80 4.63 0.00 1.68 2.22 0.00 0.00 7.23 5.70 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 65 K 8.27 3.85 0.00 1.80 1.84 0.00 1.86 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.46 1.11 7.81 66 E 8.08 4.26 0.00 2.06 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 2.23 1.95 0.00 67 L 7.25 4.60 0.00 1.83 1.54 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.43 3.58 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 1.06 0.00 0.00 0.91 0.00 0.00 69 L 7.96 3.98 0.00 1.71 1.68 0.89 0.87 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 70 R 7.79 4.01 0.00 2.02 2.16 0.00 2.96 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.70 0.00 71 I 8.18 3.66 2.07 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 1.57 0.58 0.97 0.00 0.00 72 L 8.12 3.98 0.00 1.85 1.74 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 73 T 7.68 3.72 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 1.20 0.00 0.00 74 V 8.03 3.53 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 0.99 0.00 0.00 0.91 0.00 0.00 75 R 8.40 3.91 0.00 1.85 2.27 0.00 3.15 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 76 E 7.61 4.13 0.00 1.93 2.05 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 2.25 2.33 0.00 77 N 8.12 4.26 0.00 2.91 2.83 0.00 0.00 6.62 6.02 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 78 L 8.30 3.81 0.00 1.86 1.78 0.89 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.82 3.97 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 0.00 0.00 0.00 0.00 0.00 80 E 8.34 3.98 0.00 2.25 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 0.00 2.31 2.32 0.00 81 G 7.85 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.45 3.85 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 1.08 0.00 0.00 0.97 0.00 0.00 83 L 7.88 4.13 0.00 1.72 1.74 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 84 E 7.26 4.16 0.00 2.25 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 0.00 2.26 2.22 0.00 85 F 8.20 4.87 0.00 3.14 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 86 L 8.17 4.04 0.00 1.73 1.78 0.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.32 0.00 2.18 2.12 0.00 3.80 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 88 E 8.25 4.02 0.00 1.97 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 0.00 2.32 1.98 0.00 89 M 7.95 4.21 0.00 2.12 2.32 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.55 0.00 90 V 8.20 3.55 2.17 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 0.98 0.00 0.00 0.95 0.00 0.00 91 L 7.97 3.97 0.00 2.00 1.66 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 92 S 7.95 4.16 0.00 4.05 4.09 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 93 Q 8.39 4.08 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 94 I 8.13 3.75 2.00 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 1.37 1.09 0.90 0.00 0.00 95 K 8.01 3.80 0.00 1.77 1.86 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.36 7.81 96 Q 8.54 4.13 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 97 S 8.06 4.07 0.00 3.97 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 98 N 9.11 4.43 0.00 3.08 2.88 0.00 0.00 6.90 5.12 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 99 G 8.34 3.76 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 0.00 0.00 0.00 100 N 8.30 4.24 0.00 2.76 2.80 0.00 0.00 7.17 8.28 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 0.00 101 H 8.19 4.21 0.00 3.19 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.36 3.95 0.00 2.10 1.94 0.00 3.30 0.00 0.00 3.17 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 103 R 8.10 3.87 0.00 2.02 2.00 0.00 3.11 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 104 S 8.06 4.12 0.00 3.90 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 0.00 105 L 8.11 3.96 0.00 1.84 1.91 0.92 0.53 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 0.00 106 L 8.07 4.00 0.00 1.63 1.72 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.02 4.10 0.00 2.37 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.20 0.00 108 R 7.98 3.95 0.00 2.10 2.02 0.00 3.08 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 109 L 7.59 4.40 0.00 1.84 1.76 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 110 T 7.70 4.45 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 1.23 0.00 0.00 111 Q 8.53 3.83 0.00 2.14 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.47 0.00 0.00 0.00 0.00 0.00 2.31 2.17 0.00 112 V 8.45 3.87 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 0.93 0.00 0.00