NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4155 8.1927 116.7962 57.9611 64.6895 174.9891 2 N 4.1480 7.9053 119.5527 55.7803 39.2701 174.1558 3 I 3.8005 8.4882 118.8848 63.9596 39.6611 176.3594 4 I 4.1231 6.9874 120.1580 61.7773 38.3311 176.7840 5 K 3.6020 8.7422 119.9370 58.8381 31.4578 178.1500 6 Q 4.1937 8.8872 121.5312 58.5051 28.9079 177.8836 7 L 4.0516 7.1352 117.5836 56.9061 41.6649 178.6144 8 E 4.2357 7.9487 118.0042 58.6008 30.0423 178.0589 9 Q 4.1832 8.2375 118.4641 58.5150 28.6986 176.7189 10 E 4.3159 8.5913 118.1404 56.0345 29.9178 177.2643 11 Q 4.5236 7.7856 118.1827 56.9747 29.8891 173.4297 12 M 4.6107 7.9356 114.6416 52.4813 34.9051 175.4645 13 K 4.2581 8.2669 121.5376 56.2383 33.2004 176.6421 14 Q 4.8441 8.6120 123.0198 55.9014 28.5606 176.3783 15 D 4.5638 7.7981 117.8079 53.7813 40.3294 176.9482 16 V 3.4784 7.0253 114.4697 60.9815 31.5180 174.4969 17 P 4.5104 0.0000 0.0000 61.3621 32.5865 175.5876 18 S 4.3067 8.3423 112.6218 58.9660 62.8226 173.4293 19 F 5.1952 8.8046 121.0941 58.3015 42.1757 173.5118 20 R 4.9888 7.9003 128.6011 56.3731 31.6403 174.3157 21 P 4.6714 0.0000 0.0000 63.2170 30.6931 177.0964 22 G 3.9557 8.0361 107.8347 46.0191 0.0000 173.2687 23 D 4.6050 7.8385 119.3334 55.2273 41.4594 176.8244 24 T 4.0860 8.8461 115.4489 65.4437 69.5634 175.0990 25 V 3.3445 7.5936 115.2872 60.0695 31.1753 172.6273 26 E 4.9441 7.8905 120.5107 53.2153 30.9792 173.6373 27 V 3.8941 8.3051 125.0320 62.3221 33.2171 174.4325 28 K 4.8307 8.2977 126.4633 54.9875 34.2571 175.8631 29 V 5.0407 8.7213 118.5803 58.1005 35.1669 175.8775 30 W 5.0668 8.5439 122.5861 57.2128 29.4282 176.2790 31 V 4.3658 8.9790 121.5689 61.1077 33.3929 178.3696 32 V 4.2547 8.1677 120.1145 60.9456 32.1698 172.2968 33 E 3.5485 7.8519 121.4526 57.5123 29.7926 175.5680 34 G 3.8270 8.5487 102.1334 47.4348 0.0000 174.9219 35 S 4.7255 7.5803 115.8025 57.2086 64.2102 173.0059 36 K 4.7108 8.1770 119.4271 55.0270 36.1282 177.4307 37 K 4.3635 8.2860 115.9153 56.6579 33.3875 175.9075 38 R 3.9675 7.7574 117.8085 56.5812 31.4382 175.0730 39 L 5.1495 8.5420 122.1974 53.3442 43.5043 175.9432 40 Q 4.4886 9.5817 124.4082 55.1817 30.2735 176.0636 41 A 4.8680 8.5264 125.4580 51.5934 21.0344 177.4280 42 F 4.3631 8.7597 120.6118 57.1153 41.3404 174.2622 43 E 4.6881 8.1048 130.1537 55.6816 27.9786 176.4178 44 G 4.2322 7.7688 106.3250 45.8712 0.0000 172.8911 45 V 4.3302 8.0577 120.0075 60.9672 34.3779 175.6688 46 V 3.9831 7.7465 128.1744 63.7465 31.2026 175.6415 47 I 4.3012 8.6623 120.1503 60.6049 39.5651 174.5958 48 A 4.9490 7.1144 121.6963 50.6485 21.8177 174.2769 49 I 4.6901 7.8713 115.3597 59.8962 42.1838 176.1546 50 R 4.2538 8.9808 121.9239 56.1800 28.6458 177.4891 51 N 4.2597 10.0933 107.6737 53.4764 35.1121 174.8923 52 R 4.6664 7.5870 112.2209 55.0870 32.5716 177.3026 53 G 3.6378 8.1166 108.6539 46.0175 0.0000 174.4426 54 L 4.0256 8.8301 121.5565 58.4735 42.0094 177.8401 55 H 4.4806 7.6504 115.3370 55.8166 29.0308 174.7889 56 S 4.6786 8.3100 118.9261 57.2669 66.8282 172.8983 57 A 5.8502 8.2849 123.5879 49.9579 20.7351 174.5543 58 F 4.9937 8.3593 113.6965 58.4085 41.7859 172.5420 59 T 3.9349 7.9848 128.7959 62.8976 66.3610 171.4312 60 V 5.1471 7.5691 118.7438 58.5942 35.5157 175.3144 61 R 4.8071 8.6922 124.5122 55.9067 30.8868 176.2162 62 K 4.0236 8.5952 122.5229 57.7390 34.4451 174.6830 63 I 3.3313 7.8774 121.6334 62.0417 34.3406 173.7748 64 S 4.9053 7.9346 129.6716 57.8344 61.5145 177.5280 65 N 4.5825 8.7885 125.6808 53.8175 36.7594 175.6330 66 G 3.9842 8.4771 107.2489 44.9555 0.0000 173.4282 67 E 4.6465 7.7744 119.5005 54.0439 31.7961 175.4126 68 G 3.9727 8.5501 111.0470 46.4047 0.0000 173.1544 69 V 4.8214 8.3353 115.2869 59.4273 36.2981 174.3306 70 E 5.3137 8.6573 121.2648 53.5708 33.5231 174.8313 71 R 3.9997 8.2053 123.4242 54.4347 32.9300 174.6509 72 V 4.5931 7.9426 127.6280 61.2068 30.2730 174.1469 73 F 4.2489 7.7041 123.4171 56.4312 40.5367 175.6609 74 Q 5.1368 8.3303 122.9734 60.8595 27.8860 181.0869 75 T 2.4800 5.8815 110.3672 65.0612 71.4560 173.9502 76 H 4.6110 7.5616 127.2674 56.3361 28.6793 175.8114 77 S 4.7304 7.4452 113.3023 55.6084 65.3292 172.1848 78 P 4.2616 0.0000 0.0000 66.0029 31.4425 178.8608 79 V 3.8700 8.0526 110.8061 64.2594 31.7064 178.8859 80 V 3.3954 7.8105 119.3127 62.7894 32.7185 178.5754 81 D 3.6753 7.2248 117.4853 54.9369 41.8445 176.8283 82 S 4.4339 8.2729 110.0598 58.0342 65.1332 172.5266 83 I 4.2188 7.7752 120.6187 60.4532 39.2085 174.6750 84 S 4.6194 8.3261 128.0419 58.4065 62.6645 173.2260 85 V 4.6022 8.4079 112.0567 60.6055 36.2737 178.5056 86 K 3.6816 7.9691 117.9102 57.1736 32.0885 177.5344 87 R 4.6164 8.8564 125.4692 55.0185 33.0415 173.3131 88 R 4.8677 7.8662 119.9084 54.0488 31.8583 175.5962 89 G 4.1621 7.8881 104.0334 44.5968 0.0000 170.9813 90 A 3.9783 9.2199 124.1294 53.7478 18.4389 176.8493 91 V 3.5947 8.8920 117.6270 59.6907 31.7120 176.5153 92 R 3.7746 9.2883 122.7941 57.4787 28.7614 175.0479 93 K 4.1582 7.5932 112.0891 55.7683 34.8060 173.9566 94 A 4.2389 8.7551 128.2035 53.3155 19.2629 177.2424 95 K 4.3721 7.4854 113.6931 54.4969 33.6641 176.8309 96 L 4.5714 8.9227 130.9023 54.3965 40.6528 178.5559 97 Y 4.3497 7.7700 119.7861 61.1016 38.8563 178.3153 98 Y 4.2429 8.4748 116.9048 60.1214 37.8068 177.3589 99 L 3.7446 5.8052 117.3576 55.6208 42.8017 177.6116 100 R 4.4700 7.5151 124.7017 55.1637 28.8373 177.8657 101 E 4.0158 8.8282 117.5534 56.2937 28.5044 175.7665 102 R 4.4102 8.0459 121.1245 57.7786 35.6387 176.8313 103 T 3.4385 7.8448 113.2759 61.9891 67.5469 171.1356 104 G 4.1374 8.2044 110.9257 46.6172 0.0000 175.0488 105 K 3.8488 8.6559 121.1818 57.3091 31.0792 177.4896 106 A 4.2364 8.6985 121.2723 54.4931 19.0690 178.9731 107 A 4.0852 7.7288 116.0838 53.5753 18.3884 177.1249 108 R 3.9181 7.2961 114.7639 56.5730 29.1704 175.1815 109 I 4.2961 7.9139 116.0792 59.0266 38.6929 175.8873 110 K 4.0195 8.8799 126.8336 56.6963 33.0291 176.7178 111 E 4.1940 8.6687 121.3077 56.7707 30.7817 175.9919 112 R 3.9474 8.8036 120.7248 53.1788 30.3928 172.0292 113 L 3.5565 8.0503 132.4772 54.6988 42.4623 174.4219 114 N 4.6119 8.5701 122.0432 53.4734 39.3389 174.4703 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 S 8.19 4.42 0.00 3.91 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 2 N 7.91 4.15 0.00 2.74 2.80 0.00 0.00 7.01 7.06 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 3 I 8.49 3.80 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 1.46 0.91 0.00 0.00 4 I 6.99 4.12 1.88 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 1.30 0.69 0.93 0.00 0.00 5 K 8.74 3.60 0.00 2.23 1.95 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.36 7.81 6 Q 8.89 4.19 0.00 1.98 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 7 L 7.14 4.05 0.00 1.67 1.71 0.96 0.93 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 8 E 7.95 4.24 0.00 1.99 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 2.27 2.43 0.00 9 Q 8.24 4.18 0.00 2.23 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.11 0.00 0.00 0.00 0.00 0.00 2.53 2.31 0.00 10 E 8.59 4.32 0.00 2.05 2.19 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 2.45 2.23 0.00 11 Q 7.79 4.52 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.73 6.66 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 12 M 7.94 4.61 0.00 1.70 1.78 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.14 0.00 13 K 8.27 4.26 0.00 2.15 1.94 0.00 1.48 0.00 0.00 2.01 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.48 7.81 14 Q 8.61 4.84 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.95 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 15 D 7.80 4.56 0.00 2.72 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 16 V 7.03 3.48 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 0.72 0.00 0.00 0.99 0.00 0.00 17 P 0.00 4.51 0.00 2.16 2.05 0.00 3.65 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 1.89 2.03 0.00 18 S 8.34 4.31 0.00 3.86 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 19 F 8.80 5.20 0.00 2.80 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 20 R 7.90 4.99 0.00 1.98 2.22 0.00 3.22 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.36 0.00 21 P 0.00 4.67 0.00 2.19 2.09 0.00 3.73 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 1.96 1.97 0.00 22 G 8.04 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 23 D 7.84 4.61 0.00 2.47 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 24 T 8.85 4.09 4.30 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 1.24 0.00 0.00 25 V 7.59 3.34 2.34 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 0.59 0.00 0.00 0.95 0.00 0.00 26 E 7.89 4.94 0.00 2.23 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 2.30 2.17 0.00 27 V 8.31 3.89 1.66 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 -0.08 0.00 0.00 0.82 0.00 0.00 28 K 8.30 4.83 0.00 1.48 1.65 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.48 7.81 29 V 8.72 5.04 2.18 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 0.54 0.00 0.00 1.10 0.00 0.00 30 W 8.54 5.07 0.00 3.38 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 31 V 8.98 4.37 2.18 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 0.93 0.00 0.00 1.05 0.00 0.00 32 V 8.17 4.25 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 0.57 0.00 0.00 0.94 0.00 0.00 33 E 7.85 3.55 0.00 2.04 1.71 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 2.26 2.30 0.00 34 G 8.55 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 0.00 0.00 0.00 35 S 7.58 4.73 0.00 3.80 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 36 K 8.18 4.71 0.00 1.75 1.68 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.34 1.50 7.81 37 K 8.29 4.36 0.00 1.62 1.65 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.68 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 1.41 7.81 38 R 7.76 3.97 0.00 1.85 1.99 0.00 3.12 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 39 L 8.54 5.15 0.00 1.57 1.64 1.30 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 9.58 4.49 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 41 A 8.53 4.87 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 42 F 8.76 4.36 0.00 3.37 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 43 E 8.10 4.69 0.00 1.97 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 2.48 2.25 0.00 44 G 7.77 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 0.00 0.00 0.00 0.00 45 V 8.06 4.33 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 0.87 0.00 0.00 0.97 0.00 0.00 46 V 7.75 3.98 1.90 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 0.49 0.00 0.00 0.21 0.00 0.00 47 I 8.66 4.30 2.10 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 1.44 0.91 0.95 0.00 0.00 48 A 7.11 4.95 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 49 I 7.87 4.69 1.91 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 1.61 0.79 0.96 0.00 0.00 50 R 8.98 4.25 0.00 2.05 1.67 0.00 3.25 0.00 0.00 3.41 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.79 0.00 51 N 10.09 4.26 0.00 2.96 3.01 0.00 0.00 6.58 7.66 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 52 R 7.59 4.67 0.00 2.02 1.92 0.00 3.57 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 53 G 8.12 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.83 4.03 0.00 1.68 1.54 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 55 H 7.65 4.48 0.00 3.31 3.24 0.00 5.75 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.31 4.68 0.00 3.70 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 57 A 8.28 5.85 1.24 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 58 F 8.36 4.99 0.00 3.32 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 59 T 7.98 3.93 4.31 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 1.20 0.00 0.00 60 V 7.57 5.15 2.24 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 1.33 0.00 0.00 1.13 0.00 0.00 61 R 8.69 4.81 0.00 1.73 1.84 0.00 3.50 0.00 0.00 3.34 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.38 0.00 62 K 8.60 4.02 0.00 1.84 1.75 0.00 0.98 0.00 0.00 1.39 0.00 0.00 2.53 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.18 1.45 7.81 63 I 7.88 3.33 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 1.40 0.52 0.90 0.00 0.00 64 S 7.93 4.91 0.00 3.78 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 65 N 8.79 4.58 0.00 2.68 2.82 0.00 0.00 6.99 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 66 G 8.48 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 67 E 7.77 4.65 0.00 1.97 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 2.28 2.20 0.00 68 G 8.55 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 0.00 0.00 0.00 69 V 8.34 4.82 2.22 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 0.97 0.00 0.00 1.04 0.00 0.00 70 E 8.66 5.31 0.00 1.73 1.71 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 2.17 2.10 0.00 71 R 8.21 4.00 0.00 0.95 0.66 0.00 2.65 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.96 0.00 72 V 7.94 4.59 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 0.81 0.00 0.00 0.81 0.00 0.00 73 F 7.70 4.25 0.00 2.36 2.28 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 74 Q 8.33 5.14 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.11 0.00 0.00 0.00 0.00 0.00 2.35 2.24 0.00 75 T 5.88 2.48 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 1.09 0.00 0.00 76 H 7.56 4.61 0.00 3.22 3.24 0.00 5.64 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 7.45 4.73 0.00 3.99 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 78 P 0.00 4.26 0.00 2.37 2.31 0.00 3.70 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 79 V 8.05 3.87 2.19 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 0.88 0.00 0.00 0.95 0.00 0.00 80 V 7.81 3.40 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 0.57 0.00 0.00 0.57 0.00 0.00 81 D 7.22 3.68 0.00 1.58 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 82 S 8.27 4.43 0.00 3.87 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 83 I 7.78 4.22 1.83 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 1.32 1.14 0.85 0.00 0.00 84 S 8.33 4.62 0.00 3.97 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 85 V 8.41 4.60 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 0.78 0.00 0.00 0.97 0.00 0.00 86 K 7.97 3.68 0.00 1.90 1.26 0.00 1.54 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.83 1.40 7.81 87 R 8.86 4.62 0.00 1.78 1.71 0.00 3.14 0.00 0.00 3.38 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 88 R 7.87 4.87 0.00 1.98 1.95 0.00 2.67 0.00 0.00 3.89 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 89 G 7.89 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 0.00 0.00 0.00 0.00 90 A 9.22 3.98 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 91 V 8.89 3.59 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 0.66 0.00 0.00 0.93 0.00 0.00 92 R 9.29 3.77 0.00 1.93 2.02 0.00 3.26 0.00 0.00 3.11 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 93 K 7.59 4.16 0.00 1.72 1.69 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.27 1.32 7.81 94 A 8.76 4.24 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 95 K 7.49 4.37 0.00 1.27 0.74 0.00 1.52 0.00 0.00 1.56 0.00 0.00 3.07 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.71 0.88 7.81 96 L 8.92 4.57 0.00 1.80 1.45 1.03 1.01 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 97 Y 7.77 4.35 0.00 3.04 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 98 Y 8.47 4.24 0.00 3.14 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 L 5.81 3.74 0.00 0.82 1.43 0.85 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.52 4.47 0.00 2.06 1.06 0.00 3.34 0.00 0.00 3.21 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 101 E 8.83 4.02 0.00 2.09 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 2.30 2.44 0.00 102 R 8.05 4.41 0.00 1.78 1.93 0.00 3.50 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.53 0.00 103 T 7.84 3.44 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 0.00 104 G 8.20 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 0.00 105 K 8.66 3.85 0.00 1.93 1.98 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.37 7.81 106 A 8.70 4.24 1.35 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 0.00 0.00 107 A 7.73 4.09 1.27 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 0.00 0.00 0.00 108 R 7.30 3.92 0.00 1.86 1.97 0.00 3.16 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 109 I 7.91 4.30 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 1.32 0.44 0.98 0.00 0.00 110 K 8.88 4.02 0.00 1.79 1.81 0.00 1.57 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.54 7.81 111 E 8.67 4.19 0.00 2.08 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 0.00 2.36 2.37 0.00 112 R 8.80 3.95 0.00 1.83 1.81 0.00 3.41 0.00 0.00 3.15 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 113 L 8.05 3.56 0.00 1.81 1.86 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.57 4.61 0.00 2.70 2.64 0.00 0.00 7.02 7.56 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