NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -20 M 4.4577 8.2931 120.3487 55.6511 33.1369 175.2032 -19 G 3.9451 8.4070 110.9826 45.0243 0.0000 170.9674 -18 S 4.1749 8.2465 117.3043 58.5438 63.7763 172.2123 -17 S 4.4110 8.5703 119.5998 57.4699 63.2658 174.5978 -16 H 3.8663 7.8911 116.4291 55.9641 27.4552 172.2404 -15 H 4.8182 8.2269 115.0769 54.8712 31.9904 173.8316 -14 H 3.9945 8.4351 117.6459 55.9263 27.5520 173.7780 -13 H 4.9735 8.4986 114.7481 54.6965 31.9087 172.8990 -12 H 4.8953 8.2148 117.3067 53.9156 30.6684 174.1022 -11 H 4.5018 8.6800 118.1682 55.6750 28.7328 175.5234 -10 S 4.7167 8.4873 116.1692 58.2244 66.4967 175.1497 -9 S 4.2920 8.3376 114.8799 58.6646 63.9298 173.3151 -8 G 3.7737 7.8491 109.5746 45.8453 0.0000 172.8353 -7 L 4.4663 7.8359 117.9363 54.9745 43.0044 177.1352 -6 V 4.3942 7.2566 111.9314 58.4499 33.6905 173.8796 -5 P 4.3021 0.0000 0.0000 63.2545 31.3528 176.5531 -4 R 4.5843 8.6816 120.2275 55.7590 31.6717 176.0199 -3 G 4.1964 7.9213 106.6585 44.8371 0.0000 173.0596 -2 S 4.6484 7.6834 113.2897 56.8040 67.0189 173.3695 -1 H 4.8691 8.4928 118.8716 54.3263 31.7215 172.9615 0 M 4.5096 8.6326 124.0632 54.3002 33.0760 175.1855 1 Q 4.5477 8.5092 120.7704 56.6671 34.6632 174.6426 2 K 4.5467 7.7119 115.4274 54.2732 33.9582 175.0258 3 P 4.4579 0.0000 0.0000 65.5283 31.8198 177.9013 4 V 4.2486 7.4953 107.7560 62.1635 35.8309 176.7363 5 V 3.6399 7.9043 114.2738 61.2679 30.5105 171.8613 6 T 4.6856 7.5102 113.8007 63.4225 72.5527 173.3186 7 L 4.2248 8.0304 122.7924 55.0039 43.7589 173.3671 8 D 4.5536 8.7286 125.7327 54.3433 41.4079 176.7393 9 D 4.4711 7.6923 117.0078 53.3053 39.7660 175.7390 10 A 4.6297 8.6553 123.2051 52.2038 19.5346 176.8343 11 D 4.5778 8.0378 118.3357 56.9566 42.3707 176.6749 12 D 4.7382 7.8763 119.3511 54.7951 40.9433 176.8732 13 C 4.6423 8.0138 113.2084 57.6307 40.2953 174.2639 14 S 4.5989 7.4546 116.4328 57.6833 63.1823 173.8318 15 P 4.6268 0.0000 0.0000 62.8801 28.1399 174.6456 16 L 4.0752 7.8879 128.5347 56.0471 43.5398 175.7898 17 K 5.3739 8.5370 125.5141 55.6929 32.9662 175.9644 18 L 5.0372 8.1691 122.8417 53.8133 46.2877 174.8781 19 T 4.6552 8.0536 113.5314 62.6201 73.0982 173.3137 20 Q 4.0393 8.8882 124.8382 59.7530 28.7224 174.3289 21 G 3.3507 6.8629 112.6666 44.7201 0.0000 171.6866 22 Q 4.6292 7.7805 118.4739 53.9489 31.8147 175.3058 23 E 4.8204 8.7269 122.0924 56.6833 32.0130 176.0836 24 L 4.6737 8.5684 119.2504 55.1634 44.2874 172.7022 25 V 4.8336 8.8737 122.9360 60.4640 30.0600 175.0474 26 L 4.3339 8.8286 126.6207 55.3672 43.4305 176.6939 27 T 4.5886 8.1350 117.2213 62.9393 71.3492 173.2531 28 L 4.8347 7.7979 123.3743 51.7609 45.5464 175.1994 29 P 4.4945 0.0000 0.0000 62.8087 32.1809 175.7093 30 S 4.7865 8.1958 114.0248 57.7352 65.6254 174.0121 31 N 4.9229 8.6547 118.6240 50.9428 39.6496 173.3182 32 P 4.6227 0.0000 0.0000 63.9169 31.5179 177.0138 33 T 4.2708 7.8222 112.9252 62.9868 67.4522 174.5975 34 T 4.4052 8.9218 109.5065 62.9976 70.1855 175.2045 35 G 4.0739 7.7838 120.3807 45.0601 0.0000 172.6119 36 F 3.8041 7.4748 119.2894 56.7670 38.5728 174.6503 37 R 4.8151 7.3690 127.8311 54.5470 33.5396 175.0553 38 W 5.2467 8.9731 121.6935 55.7454 30.8596 175.6681 39 E 4.1666 8.9305 127.6812 55.9046 30.4676 175.4421 40 L 4.0165 8.6160 129.3011 54.7322 42.0176 175.4490 41 R 4.1729 8.8548 126.4705 56.3374 30.3039 176.5616 42 N 4.7700 8.7308 126.7081 51.2103 39.6233 172.5759 43 P 4.2980 0.0000 0.0000 61.8069 31.7539 176.8988 44 A 4.0594 8.4434 119.9770 53.3405 16.4549 179.5789 45 A 4.8940 7.2521 121.3632 55.2098 18.5709 180.0012 46 S 4.2745 8.0140 110.1473 60.4402 63.1414 175.1172 47 V 4.2660 7.6420 110.8385 61.9055 34.4122 175.1937 48 L 4.4695 8.0235 119.9819 53.7161 43.2065 176.0182 49 K 4.8065 8.7592 124.9041 54.8913 34.2353 175.3331 50 R 4.6254 8.5978 126.9612 55.8959 30.8658 175.8598 51 L 4.1589 8.3133 125.2329 55.6648 42.2197 177.4013 52 G 4.1135 7.1812 105.3326 44.2805 0.0000 171.4484 53 P 4.2649 0.0000 0.0000 65.0629 31.4935 176.8240 54 E 4.0204 8.1093 118.8751 56.7711 29.3406 176.1691 55 V 4.4051 8.3486 117.2893 60.6797 33.6796 174.3650 56 Y 4.5929 8.1473 121.6065 55.4908 40.4125 175.4548 57 S 4.2346 7.8188 123.6005 58.2986 63.6909 174.1979 58 N 4.4837 8.6606 122.5695 55.8773 38.7070 175.6811 59 S 4.5348 7.5779 112.9998 57.2388 64.6765 172.5685 60 E 4.4449 8.3301 120.8819 55.1277 31.3920 172.4591 61 E 4.4421 8.5940 124.4650 57.4247 32.1104 175.7530 62 D 4.5795 8.0058 116.3964 52.9504 41.1623 176.4524 63 S 3.4850 7.9617 112.4586 59.0957 61.0606 172.3604 64 G 3.8006 8.0024 117.9964 44.6294 0.0000 170.7931 65 L 4.5758 7.3426 118.2257 53.2773 43.9911 176.9777 66 V 3.7565 8.2275 124.2380 63.0674 31.9429 175.7458 67 G 3.6020 7.4450 109.7362 45.0669 0.0000 174.8178 68 S 4.5785 8.2423 110.5535 58.2737 67.0292 174.6301 69 G 4.0209 8.0002 108.0411 44.6490 0.0000 175.1698 70 G 4.0934 8.4418 113.0200 46.2020 0.0000 170.6938 71 E 4.9999 8.3859 117.5347 54.7972 33.3445 174.1812 72 S 4.2431 7.8313 114.5536 57.2926 64.3033 174.2713 73 T 4.1384 7.4566 120.0409 61.7840 71.9384 173.2638 74 W 4.4744 8.2638 128.3435 54.9756 30.9762 175.5878 75 R 4.6904 8.1976 124.8831 54.7704 31.3658 175.7627 76 F 5.3510 8.8143 122.3481 55.7756 43.4057 174.4642 77 R 4.9326 8.8942 119.4889 55.0377 32.6006 174.2357 78 V 4.2461 8.5717 125.8873 63.0691 32.3678 175.9531 79 A 4.6589 8.7656 125.8346 52.7906 21.5854 175.6055 80 A 4.7000 7.7108 113.8537 50.5092 22.1830 175.4277 81 S 4.5616 8.0244 115.0749 56.4681 65.5161 173.3531 82 G 3.9750 7.7396 106.7671 44.4308 0.0000 172.9165 83 D 4.9112 8.3108 119.5654 54.1687 42.6055 174.5892 84 D 4.5004 8.4488 121.6504 53.4622 43.4119 174.2342 85 R 4.7735 8.3003 117.9548 55.0044 33.2061 173.7021 86 L 4.7085 8.6549 128.5719 54.1940 44.1558 175.0769 87 E 5.1242 9.1265 124.8449 54.7889 33.9411 174.5078 88 L 5.2326 9.4517 124.0996 53.2836 46.4055 176.0734 89 V 4.9759 8.7499 115.6509 59.8554 36.1438 174.1434 90 Y 4.3265 8.0800 122.9089 56.5333 40.0984 174.1903 91 R 4.5628 8.0078 122.2814 55.0851 33.9276 174.3013 92 R 2.9473 7.6088 118.3831 55.1597 29.8472 176.4585 93 P 4.7384 0.0000 0.0000 64.4035 31.4847 177.2770 94 W 4.4891 7.1741 112.7612 56.7760 28.3318 175.5480 95 E 4.5284 7.4636 119.5533 55.0136 30.7356 175.0154 96 K 4.3123 7.8591 119.4836 56.2353 34.1939 175.3316 97 D 4.9372 9.0292 125.0699 55.1156 38.5047 174.2998 98 A 4.1544 7.2106 122.3611 52.0879 19.1992 177.8054 99 E 4.4390 8.3760 118.1116 54.2083 29.0579 174.1910 100 P 4.4392 0.0000 0.0000 62.0697 32.2489 176.5956 101 A 3.9888 8.2429 125.6686 54.9999 18.6043 178.1815 102 E 4.6803 7.7436 113.2918 56.0193 32.2580 173.9736 103 S 4.7975 8.2828 113.5367 58.6931 65.6357 173.9491 104 F 4.7741 8.4672 120.6815 57.4512 43.2589 172.9648 105 S 5.1458 6.9092 114.3030 58.7308 64.7366 175.7349 106 C 4.9825 7.9929 121.2442 54.6224 44.4372 173.1109 107 A 4.9074 8.3594 122.1908 51.5481 20.0798 177.0853 108 I 4.6500 8.2762 119.1235 60.0140 42.4562 174.3705 109 Q 4.6112 9.0698 126.8301 54.9394 32.3716 173.6351 110 V 4.6409 8.2910 126.3127 61.8177 34.4984 175.8071 111 R 4.5421 7.9398 121.7721 57.6964 31.1706 174.8396 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 -20 M 8.29 4.46 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 -19 G 8.41 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 -18 S 8.25 4.17 0.00 3.86 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 -17 S 8.57 4.41 0.00 3.80 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 0.00 -16 H 7.89 3.87 0.00 3.32 3.33 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -15 H 8.23 4.82 0.00 3.08 3.06 0.00 6.05 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 -14 H 8.44 3.99 0.00 3.28 3.34 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -13 H 8.50 4.97 0.00 3.03 3.09 0.00 5.87 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -12 H 8.21 4.90 0.00 3.27 3.30 0.00 5.52 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -11 H 8.68 4.50 0.00 3.19 3.32 0.00 5.68 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -10 S 8.49 4.72 0.00 3.95 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 -9 S 8.34 4.29 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 -8 G 7.85 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 -7 L 7.84 4.47 0.00 1.64 1.71 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 -6 V 7.26 4.39 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 0.75 0.00 0.00 0.94 0.00 0.00 -5 P 0.00 4.30 0.00 2.02 1.99 0.00 3.61 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 -4 R 8.68 4.58 0.00 1.73 1.89 0.00 3.28 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.51 0.00 -3 G 7.92 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 0.00 0.00 0.00 0.00 -2 S 7.68 4.65 0.00 3.76 3.68 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 -1 H 8.49 4.87 0.00 3.06 3.16 0.00 5.88 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 M 8.63 4.51 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.46 0.00 1 Q 8.51 4.55 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.89 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 2 K 7.71 4.55 0.00 1.77 1.73 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.52 7.81 3 P 0.00 4.46 0.00 2.05 2.11 0.00 3.64 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 2.04 2.11 0.00 4 V 7.50 4.25 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 0.81 0.00 0.00 0.95 0.00 0.00 5 V 7.90 3.64 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 1.27 0.00 0.00 0.95 0.00 0.00 6 T 7.51 4.69 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 1.32 0.00 0.00 7 L 8.03 4.22 0.00 1.58 1.57 1.05 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.73 4.55 0.00 2.64 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 9 D 7.69 4.47 0.00 2.88 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 10 A 8.66 4.63 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 11 D 8.04 4.58 0.00 2.64 2.70 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 12 D 7.88 4.74 0.00 2.91 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 13 C 8.01 4.64 0.00 2.89 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 14 S 7.45 4.60 0.00 3.73 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 15 P 0.00 4.63 0.00 2.05 2.08 0.00 3.75 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 16 L 7.89 4.08 0.00 1.79 1.58 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.54 5.37 0.00 1.66 1.71 0.00 1.87 0.00 0.00 2.36 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.36 7.81 18 L 8.17 5.04 0.00 1.59 1.56 0.96 0.69 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 19 T 8.05 4.66 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 1.22 0.00 0.00 20 Q 8.89 4.04 0.00 1.94 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 7.59 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 21 G 6.86 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 0.00 0.00 0.00 22 Q 7.78 4.63 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.04 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.47 0.00 23 E 8.73 4.82 0.00 1.98 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 2.65 2.34 0.00 24 L 8.57 4.67 0.00 1.85 1.70 0.99 1.03 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 25 V 8.87 4.83 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 0.74 0.00 0.00 0.94 0.00 0.00 26 L 8.83 4.33 0.00 2.12 1.78 1.07 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.13 4.59 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 1.16 0.00 0.00 28 L 7.80 4.83 0.00 1.16 0.88 0.04 0.59 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 29 P 0.00 4.49 0.00 2.23 2.06 0.00 3.65 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 2.05 1.95 0.00 30 S 8.20 4.79 0.00 4.32 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 31 N 8.65 4.92 0.00 2.92 2.85 0.00 0.00 6.66 8.09 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 32 P 0.00 4.62 0.00 2.21 2.20 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 33 T 7.82 4.27 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 1.27 0.00 0.00 34 T 8.92 4.41 4.45 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 1.31 0.00 0.00 35 G 7.78 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 36 F 7.47 3.80 0.00 2.80 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 0.00 0.00 0.00 0.00 37 R 7.37 4.82 0.00 1.83 2.00 0.00 3.16 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 38 W 8.97 5.25 0.00 3.72 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.93 4.17 0.00 2.08 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 2.29 2.32 0.00 40 L 8.62 4.02 0.00 1.69 1.64 1.04 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.85 4.17 0.00 1.91 1.84 0.00 3.40 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 42 N 8.73 4.77 0.00 2.72 2.75 0.00 0.00 7.28 7.28 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 43 P 0.00 4.30 0.00 2.22 2.26 0.00 3.87 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 44 A 8.44 4.06 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 45 A 7.25 4.89 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 46 S 8.01 4.27 0.00 3.82 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 47 V 7.64 4.27 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 0.94 0.00 0.00 0.95 0.00 0.00 48 L 8.02 4.47 0.00 1.47 1.54 0.90 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.76 4.81 0.00 1.88 1.70 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.41 7.81 50 R 8.60 4.63 0.00 2.15 1.92 0.00 3.33 0.00 0.00 3.39 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 51 L 8.31 4.16 0.00 1.54 1.64 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 52 G 7.18 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.26 0.00 2.07 2.16 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 54 E 8.11 4.02 0.00 1.92 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 0.00 2.31 2.41 0.00 55 V 8.35 4.41 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 0.75 0.00 0.00 0.92 0.00 0.00 56 Y 8.15 4.59 0.00 2.84 2.93 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 57 S 7.82 4.23 0.00 3.57 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 58 N 8.66 4.48 0.00 2.69 2.89 0.00 0.00 7.14 7.64 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 59 S 7.58 4.53 0.00 3.81 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 60 E 8.33 4.44 0.00 1.82 1.75 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 2.15 2.24 0.00 61 E 8.59 4.44 0.00 1.87 1.81 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 2.14 2.32 0.00 62 D 8.01 4.58 0.00 2.67 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 63 S 7.96 3.49 0.00 4.07 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 64 G 8.00 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 65 L 7.34 4.58 0.00 1.58 1.59 0.93 1.06 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 66 V 8.23 3.76 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 0.80 0.00 0.00 0.93 0.00 0.00 67 G 7.44 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 68 S 8.24 4.58 0.00 3.98 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 69 G 8.00 4.02 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 0.00 0.00 0.00 70 G 8.44 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 0.00 0.00 0.00 71 E 8.39 5.00 0.00 1.88 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 0.00 2.16 2.22 0.00 72 S 7.83 4.24 0.00 2.72 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 73 T 7.46 4.14 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 1.09 0.00 0.00 74 W 8.26 4.47 0.00 3.56 2.58 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 75 R 8.20 4.69 0.00 1.64 1.79 0.00 3.01 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 76 F 8.81 5.35 0.00 3.12 2.90 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 77 R 8.89 4.93 0.00 1.95 1.77 0.00 3.35 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 78 V 8.57 4.25 2.20 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 1.00 0.00 0.00 0.94 0.00 0.00 79 A 8.77 4.66 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 80 A 7.71 4.70 1.23 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 81 S 8.02 4.56 0.00 3.89 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 82 G 7.74 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 83 D 8.31 4.91 0.00 2.69 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.45 4.50 0.00 2.74 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 0.00 85 R 8.30 4.77 0.00 1.74 1.74 0.00 3.15 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.73 0.00 86 L 8.65 4.71 0.00 1.76 1.51 0.71 0.56 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 87 E 9.13 5.12 0.00 1.95 1.77 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 2.16 2.23 0.00 88 L 9.45 5.23 0.00 1.66 1.51 0.95 -0.05 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 89 V 8.75 4.98 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 0.85 0.00 0.00 0.97 0.00 0.00 90 Y 8.08 4.33 0.00 1.46 2.51 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 91 R 8.01 4.56 0.00 1.70 1.85 0.00 2.74 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.38 0.00 92 R 7.61 2.95 0.00 1.17 0.66 0.00 2.92 0.00 0.00 3.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.50 0.00 93 P 0.00 4.74 0.00 2.02 2.11 0.00 2.87 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 94 W 7.17 4.49 0.00 3.32 3.34 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 95 E 7.46 4.53 0.00 1.95 1.87 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 2.29 1.83 0.00 96 K 7.86 4.31 0.00 1.77 1.61 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.51 7.81 97 D 9.03 4.94 0.00 2.85 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 98 A 7.21 4.15 1.21 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 99 E 8.38 4.44 0.00 1.97 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 2.24 2.28 0.00 100 P 0.00 4.44 0.00 2.37 2.01 0.00 3.77 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 2.00 1.96 0.00 101 A 8.24 3.99 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 0.00 102 E 7.74 4.68 0.00 1.59 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 2.29 2.23 0.00 103 S 8.28 4.80 0.00 3.92 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 0.00 104 F 8.47 4.77 0.00 3.19 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 0.00 105 S 6.91 5.15 0.00 3.72 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 0.00 106 C 7.99 4.98 0.00 2.68 2.86 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 0.00 107 A 8.36 4.91 1.19 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 0.00 0.00 108 I 8.28 4.65 2.03 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.57 0.92 0.00 0.00 109 Q 9.07 4.61 0.00 2.07 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 110 V 8.29 4.64 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 0.85 0.00 0.00 0.93 0.00 0.00 111 R 7.94 4.54 0.00 1.72 1.74 0.00 3.37 0.00 0.00 3.11 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00