NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4320 8.3349 115.4129 57.8817 64.6320 173.8046 2 K 4.1511 8.0768 119.5171 57.1483 32.9495 175.4267 3 T 4.2299 8.3940 117.1437 65.0183 71.0646 174.7774 4 N 4.3031 7.9983 119.8987 53.3250 39.6214 173.2863 5 P 4.2466 0.0000 0.0000 65.5952 31.4051 178.9808 6 R 3.8741 8.5184 117.2021 59.2745 30.0793 178.7390 7 L 3.9869 8.1058 119.5921 58.0891 41.9272 178.8569 8 S 4.0466 8.2516 113.1752 61.5453 62.3890 176.3864 9 S 4.1016 8.0923 117.8944 61.2830 62.5590 176.2167 10 L 3.8723 8.2468 123.4916 58.4810 41.6819 179.0538 11 I 3.7359 7.7448 119.2630 64.5269 37.0258 178.3171 12 A 4.0351 7.7845 121.1611 55.1023 18.2551 179.4833 13 D 4.2951 8.1908 117.6582 57.3766 40.9733 178.8422 14 L 3.8906 8.3769 119.9525 57.6003 41.4511 179.7965 15 K 3.9644 7.8093 118.4241 59.6326 32.2949 179.1135 16 S 4.0228 8.1757 113.1071 61.6782 61.9494 176.2734 17 A 4.1435 8.0717 122.7458 54.7605 18.2111 179.4259 18 A 4.2258 7.8747 118.3044 55.1040 18.4529 179.9228 19 R 4.0939 8.0958 116.3060 60.1457 30.5011 178.6775 20 S 4.1870 7.9020 113.8006 60.9535 62.8514 175.9310 21 S 4.4206 8.0336 116.7237 58.4201 63.6197 175.3391 22 G 3.9818 8.5591 108.3484 45.8439 0.0000 174.3722 23 G 3.9521 7.4166 107.5597 45.3414 0.0000 173.6086 24 A 4.5849 7.9806 120.2961 51.4564 21.4642 179.2173 25 V 3.4742 7.4934 109.2519 64.2946 31.5153 178.2916 26 W 4.9477 7.7436 118.3688 60.2397 29.0474 178.7145 27 G 3.6582 8.2151 104.9462 47.5854 0.0000 175.2166 28 D 4.3491 8.0349 120.3898 57.2712 41.2886 178.5370 29 V 3.6603 8.7502 119.4355 65.7710 31.5273 177.7749 30 A 4.0289 8.3050 120.7647 55.3971 18.0129 179.5422 31 E 4.1336 7.9467 115.6059 59.4014 29.6426 179.1999 32 R 4.0949 7.7658 118.0769 59.0908 29.9277 178.4565 33 L 3.8090 7.8234 118.1892 57.3933 41.6734 178.8690 34 E 4.1618 7.9344 117.7061 57.7967 29.5933 177.6243 35 K 4.2989 6.9777 117.7602 54.7586 33.1509 174.9040 36 P 4.1834 0.0000 0.0000 63.1977 31.9018 177.6352 37 R 3.5100 8.8056 121.5389 59.3497 30.1600 178.9875 38 R 3.8924 7.9254 112.9575 58.8970 29.3809 177.4240 39 T 4.1934 8.0044 107.3570 62.5664 69.3970 174.5906 40 H 4.3727 7.9002 119.5835 55.8449 29.4764 174.1950 41 A 4.4310 8.2876 122.3565 51.5321 20.1250 176.6560 42 E 4.7977 8.7921 121.0904 54.4116 31.1613 174.4883 43 V 4.3976 8.7303 124.5133 61.0711 33.8960 174.7177 44 N 5.6567 8.4508 124.1099 51.3184 40.6985 176.0795 45 L 4.0981 8.4840 120.3654 57.9460 41.1954 179.9679 46 G 3.7858 8.2235 105.2997 48.1796 0.0000 175.4125 47 R 3.9557 7.8059 120.4978 58.9221 30.1276 178.5874 48 I 3.7581 7.7110 119.2759 64.4554 36.9948 177.8496 49 E 3.9492 8.2467 119.1549 59.1953 29.4670 178.5081 50 R 3.8593 7.3563 117.7362 58.1965 30.1720 176.3347 51 Y 4.6793 7.4306 112.3505 57.3415 39.3640 175.3792 52 A 4.5899 7.8291 123.6682 51.3617 19.8090 176.5887 53 Q 4.6384 8.0727 115.4905 54.4752 31.4003 174.2674 54 E 3.8934 8.6348 119.9301 58.3408 29.9776 176.7842 55 D 4.4704 8.9078 119.9296 54.7146 38.1941 173.4005 56 E 4.7025 7.7599 119.1542 54.3467 31.9673 175.5741 57 T 4.2112 8.4090 125.2281 63.8464 69.8007 173.8914 58 V 4.3625 9.0243 127.7156 62.3973 33.0376 174.6750 59 V 4.7399 9.2214 128.7536 61.2949 33.5694 174.3466 60 V 4.8863 8.9929 129.5558 59.0287 33.1669 174.8732 61 P 4.7755 0.0000 0.0000 61.2642 31.7106 174.3585 62 G 4.1379 6.4677 116.0062 47.3563 0.0000 174.8674 63 K 5.0312 9.6778 127.2611 54.2047 35.9477 173.9539 64 V 4.7649 8.2195 125.3534 61.2178 33.8790 174.4567 65 L 5.0004 9.6953 127.8603 52.4733 45.1207 176.4393 66 G 4.1463 8.5324 107.7764 46.9955 0.0000 173.6499 67 S 4.4685 8.2669 116.7996 58.9315 64.4242 175.4232 68 G 4.0959 9.0466 110.1741 44.4914 0.0000 172.0781 69 V 4.3704 7.9221 116.8836 60.6383 33.9372 174.6628 70 L 4.8741 8.5071 127.7400 53.4754 44.0945 175.4420 71 Q 4.5107 9.9702 125.7224 56.7402 30.9766 176.8795 72 K 4.0025 8.1965 116.0006 56.9543 32.6648 176.8520 73 D 5.4265 8.5098 123.0020 52.5633 40.1908 175.1299 74 V 4.6653 7.8360 116.3391 59.3460 36.1093 174.0567 75 T 4.9275 8.3305 117.8807 62.0759 70.8081 173.6872 76 V 4.9577 8.7919 126.7436 61.0012 34.2899 174.0466 77 A 5.9400 9.9470 129.3262 49.5038 21.5939 174.9729 78 A 5.0521 8.4319 122.6173 49.2146 22.9967 176.8959 79 V 3.5400 8.3090 118.9356 66.1874 32.0157 175.6895 80 D 4.6630 7.2648 116.7205 53.3599 44.5346 174.0483 81 F 5.4164 8.7684 120.9571 55.2344 42.4736 175.2693 82 S 4.3056 9.0563 117.8046 58.2588 63.7491 175.6911 83 G 3.6638 8.8239 107.2136 48.2198 0.0000 176.2236 84 T 3.9194 7.8985 117.3186 66.2524 68.4949 176.3562 85 A 4.0179 7.9727 122.6796 55.4407 18.3998 179.4213 86 E 3.6756 8.2735 117.2963 59.2496 29.3184 179.1972 87 T 3.9666 7.2859 115.3851 66.4065 68.5642 176.8089 88 K 4.4050 8.3186 122.1414 58.8773 31.9458 179.6366 89 I 3.8033 8.0908 120.5777 64.4262 36.9144 177.9636 90 D 4.6461 7.4709 118.9741 55.9162 40.9435 178.2739 91 Q 4.1765 7.8388 118.2070 57.8666 28.7722 177.6003 92 V 4.6337 7.7380 110.1751 60.9413 35.0564 174.4284 93 G 4.2515 8.4734 111.2705 44.5152 0.0000 174.6117 94 E 4.8734 9.6107 127.3454 54.5813 33.1908 172.5529 95 A 4.5888 9.2554 129.9022 50.7543 20.0038 176.5906 96 V 4.5746 8.9951 122.7739 60.7924 35.5286 175.3279 97 S 4.7364 8.6788 121.0703 57.7540 64.0554 174.9663 98 L 3.9167 8.2308 124.0181 58.3596 41.6016 179.4420 99 E 3.8561 8.0400 118.1366 58.9909 29.3983 179.0375 100 Q 3.9332 7.8167 117.8304 58.5186 29.0236 177.9647 101 A 4.0227 7.9262 121.7955 55.6090 18.2327 179.7334 102 I 3.1279 7.1668 116.4533 64.0985 37.0490 177.7385 103 E 4.1899 7.2972 118.6539 58.5999 29.8480 177.4286 104 N 4.6941 8.4608 114.1860 53.8193 40.3816 175.2421 105 N 4.9723 7.9094 116.5616 52.4175 40.8825 173.1520 106 P 4.7049 0.0000 0.0000 65.1908 32.2178 178.1360 107 E 4.0656 8.5362 118.1244 56.6438 30.3840 175.9977 108 G 3.6306 8.0963 107.7671 46.3843 0.0000 173.2627 109 S 4.5554 8.1715 110.9953 57.6712 66.3222 174.3820 110 H 3.9745 8.5057 117.5404 57.0627 25.6010 174.4115 111 V 4.8159 7.1945 116.4586 59.8408 35.2591 176.5614 112 R 4.5528 9.1851 123.2825 54.5235 32.8320 174.2781 113 V 4.5296 8.4356 126.6738 62.3635 32.4413 174.9505 114 I 4.7799 8.8197 128.8474 59.4108 40.6870 176.1491 115 R 4.1740 8.3418 121.3545 56.5340 29.3787 174.7469 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 8.33 4.43 0.00 3.99 4.03 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 2 K 8.08 4.15 0.00 1.85 1.78 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.44 1.48 7.81 3 T 8.39 4.23 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 4 N 8.00 4.30 0.00 2.75 2.73 0.00 0.00 7.22 7.71 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 5 P 0.00 4.25 0.00 2.19 2.09 0.00 3.65 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 2.18 0.00 6 R 8.52 3.87 0.00 1.93 1.96 0.00 3.13 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 1.64 1.73 0.00 7 L 8.11 3.99 0.00 1.75 1.81 0.92 0.94 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 8 S 8.25 4.05 0.00 4.07 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 9 S 8.09 4.10 0.00 4.03 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 10 L 8.25 3.87 0.00 1.67 1.81 0.86 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.74 3.74 2.04 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 1.45 1.26 0.91 0.00 0.00 12 A 7.78 4.04 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 13 D 8.19 4.30 0.00 2.77 2.64 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 14 L 8.38 3.89 0.00 1.80 1.93 0.91 0.51 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 15 K 7.81 3.96 0.00 1.93 1.86 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.61 7.81 16 S 8.18 4.02 0.00 3.89 3.89 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 17 A 8.07 4.14 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 0.00 0.00 0.00 0.00 0.00 18 A 7.87 4.23 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.10 4.09 0.00 1.81 2.01 0.00 3.20 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 20 S 7.90 4.19 0.00 3.99 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 21 S 8.03 4.42 0.00 4.23 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 22 G 8.56 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 23 G 7.42 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 24 A 7.98 4.58 1.18 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 0.00 0.00 25 V 7.49 3.47 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 0.63 0.00 0.00 -0.38 0.00 0.00 26 W 7.74 4.95 0.00 3.34 3.22 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 27 G 8.22 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 0.00 0.00 0.00 28 D 8.03 4.35 0.00 3.08 2.74 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 29 V 8.75 3.66 2.41 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 1.01 0.00 0.00 1.18 0.00 0.00 30 A 8.31 4.03 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 31 E 7.95 4.13 0.00 2.01 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 2.36 2.46 0.00 32 R 7.77 4.09 0.00 1.95 2.05 0.00 3.34 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 1.62 1.66 0.00 33 L 7.82 3.81 0.00 1.79 1.67 0.88 0.56 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 34 E 7.93 4.16 0.00 2.14 2.03 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 2.36 2.48 0.00 35 K 6.98 4.30 0.00 1.97 1.77 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.68 7.81 36 P 0.00 4.18 0.00 2.15 1.98 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 37 R 8.81 3.51 0.00 1.79 1.93 0.00 3.11 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 38 R 7.93 3.89 0.00 1.90 2.05 0.00 3.01 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 39 T 8.00 4.19 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 H 7.90 4.37 0.00 3.26 3.26 0.00 5.66 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 41 A 8.29 4.43 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 42 E 8.79 4.80 0.00 1.81 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 2.27 0.00 43 V 8.73 4.40 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 1.01 0.00 0.00 0.94 0.00 0.00 44 N 8.45 5.66 0.00 2.70 2.99 0.00 0.00 7.62 6.74 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 45 L 8.48 4.10 0.00 1.79 1.74 0.95 1.50 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 46 G 8.22 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 47 R 7.81 3.96 0.00 1.95 2.00 0.00 3.23 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.90 0.00 48 I 7.71 3.76 2.04 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 1.59 0.69 0.96 0.00 0.00 49 E 8.25 3.95 0.00 1.91 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 0.00 2.42 2.31 0.00 50 R 7.36 3.86 0.00 1.66 1.45 0.00 2.39 0.00 0.00 2.90 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 1.27 0.00 51 Y 7.43 4.68 0.00 2.94 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 52 A 7.83 4.59 1.33 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 53 Q 8.07 4.64 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.97 0.00 0.00 0.00 0.00 0.00 2.49 2.37 0.00 54 E 8.63 3.89 0.00 1.99 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 0.00 2.56 2.36 0.00 55 D 8.91 4.47 0.00 2.85 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 56 E 7.76 4.70 0.00 1.97 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 0.00 2.23 2.28 0.00 57 T 8.41 4.21 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 58 V 9.02 4.36 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 0.96 0.00 0.00 0.99 0.00 0.00 59 V 9.22 4.74 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 1.15 0.00 0.00 1.11 0.00 0.00 60 V 8.99 4.89 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 1.12 0.00 0.00 0.94 0.00 0.00 61 P 0.00 4.78 0.00 2.24 2.23 0.00 3.94 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 2.06 1.96 0.00 62 G 6.47 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 63 K 9.68 5.03 0.00 1.69 1.55 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.34 7.81 64 V 8.22 4.76 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 1.09 0.00 0.00 0.80 0.00 0.00 65 L 9.70 5.00 0.00 1.64 1.53 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.53 4.15 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 0.00 0.00 0.00 67 S 8.27 4.47 0.00 4.06 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 68 G 9.05 4.10 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 0.00 0.00 0.00 69 V 7.92 4.37 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 0.84 0.00 0.00 0.93 0.00 0.00 70 L 8.51 4.87 0.00 1.59 1.51 1.02 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.97 4.51 0.00 1.95 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.59 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 72 K 8.20 4.00 0.00 1.75 1.76 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.45 1.78 7.81 73 D 8.51 5.43 0.00 2.85 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 74 V 7.84 4.67 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 0.77 0.00 0.00 0.96 0.00 0.00 75 T 8.33 4.93 4.29 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 1.26 0.00 0.00 76 V 8.79 4.96 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 1.12 0.00 0.00 1.02 0.00 0.00 77 A 9.95 5.94 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 78 A 8.43 5.05 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 79 V 8.31 3.54 2.15 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 0.69 0.00 0.00 0.87 0.00 0.00 80 D 7.26 4.66 0.00 2.77 2.37 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 81 F 8.77 5.42 0.00 2.87 2.96 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 82 S 9.06 4.31 0.00 3.94 4.04 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 83 G 8.82 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 0.00 0.00 0.00 84 T 7.90 3.92 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 1.23 0.00 0.00 85 A 7.97 4.02 1.50 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 86 E 8.27 3.68 0.00 1.96 1.93 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 2.18 2.04 0.00 87 T 7.29 3.97 4.40 0.00 0.00 0.00 0.00 0.00 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 88 K 8.32 4.41 0.00 1.78 1.86 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.55 7.81 89 I 8.09 3.80 1.87 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 1.56 0.99 0.87 0.00 0.00 90 D 7.47 4.65 0.00 2.55 2.68 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 0.00 0.00 0.00 0.00 91 Q 7.84 4.18 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.72 0.00 92 V 7.74 4.63 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 0.77 0.00 0.00 0.96 0.00 0.00 93 G 8.47 4.25 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 0.00 94 E 9.61 4.87 0.00 2.02 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 2.16 2.23 0.00 95 A 9.26 4.59 0.61 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 0.00 0.00 0.00 0.00 0.00 0.00 96 V 9.00 4.57 2.25 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 1.10 0.00 0.00 0.93 0.00 0.00 97 S 8.68 4.74 0.00 4.10 4.04 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 98 L 8.23 3.92 0.00 1.67 1.58 0.99 0.96 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 99 E 8.04 3.86 0.00 2.05 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 2.35 2.37 0.00 100 Q 7.82 3.93 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 101 A 7.93 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.17 3.13 1.70 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.03 0.67 0.00 0.00 103 E 7.30 4.19 0.00 2.05 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 0.00 2.29 2.33 0.00 104 N 8.46 4.69 0.00 2.74 2.88 0.00 0.00 6.80 7.81 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 0.00 105 N 7.91 4.97 0.00 2.90 3.00 0.00 0.00 6.84 7.08 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 0.00 106 P 0.00 4.70 0.00 2.32 2.33 0.00 3.90 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 107 E 8.54 4.07 0.00 2.14 2.03 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 2.42 2.39 0.00 108 G 8.10 3.63 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 0.00 0.00 0.00 109 S 8.17 4.56 0.00 4.01 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 0.00 110 H 8.51 3.97 0.00 3.36 3.37 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.19 4.82 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 0.46 0.00 0.00 0.85 0.00 0.00 112 R 9.19 4.55 0.00 1.97 1.80 0.00 3.14 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 113 V 8.44 4.53 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 0.88 0.00 0.00 0.89 0.00 0.00 114 I 8.82 4.78 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.38 0.99 0.00 0.00 115 R 8.34 4.17 0.00 1.85 1.82 0.00 3.05 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00