NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4427 8.3349 115.4128 57.7868 63.1690 173.2162 2 K 4.0594 8.2488 126.9897 56.8258 32.8094 175.5874 3 T 4.3110 8.4077 117.1909 64.9120 71.4902 175.3375 4 N 4.4281 7.9385 120.3828 52.9632 39.8867 173.8132 5 P 4.3283 0.0000 0.0000 65.3571 31.4217 179.0463 6 R 3.8838 8.5609 117.6667 59.1415 30.0727 178.6297 7 L 3.9387 8.0565 119.6357 58.1124 42.0634 178.9491 8 S 4.1073 7.9462 114.6969 61.7723 62.7882 176.7564 9 S 4.0902 7.9360 117.5802 61.5193 62.5392 176.3256 10 L 3.8732 8.1332 123.2377 58.5428 41.8088 179.2016 11 I 3.6850 7.8764 119.1524 64.3726 37.0340 178.3683 12 A 4.0563 8.0986 121.5968 55.0947 18.2781 179.4525 13 D 4.3112 8.4119 118.0882 57.3457 40.9365 178.8979 14 L 3.9108 8.2630 119.9817 57.4723 41.4300 179.7416 15 K 3.9581 7.9777 118.1355 59.5556 32.0844 179.0275 16 S 4.0431 8.1476 113.0735 61.6837 62.2376 176.5130 17 A 3.9767 8.0090 122.4117 55.2788 18.0683 179.2729 18 A 4.9243 7.7572 119.0962 54.8972 18.3901 179.8847 19 R 4.1189 8.1460 115.7594 60.1309 30.5526 178.6639 20 S 4.2076 8.3117 114.4189 62.6234 63.1022 178.3280 21 S 4.4619 8.4379 121.4514 58.6496 64.0501 174.2177 22 G 3.8628 8.5939 108.5018 45.9123 0.0000 174.2984 23 G 3.6861 7.4152 108.9904 45.8673 0.0000 173.9088 24 A 4.3954 8.2036 124.9599 53.0197 20.5813 179.1177 25 V 3.4281 7.1860 110.7093 64.2409 31.5246 178.2457 26 W 5.0097 7.7018 118.3469 60.2999 28.9861 178.7428 27 G 3.6508 8.2273 104.6356 47.4255 0.0000 175.2051 28 D 4.3225 7.9195 120.1406 57.3414 41.2573 178.4935 29 V 3.6336 8.7176 119.0899 65.7401 31.5307 177.8589 30 A 3.9999 8.3557 120.8363 55.3456 18.0719 179.5523 31 E 4.0006 8.0019 115.5911 59.0989 29.5888 179.0909 32 R 4.1567 7.6203 118.6748 58.9489 30.0768 178.3882 33 L 3.7478 7.9017 118.0603 57.6246 41.6205 178.9813 34 E 4.1504 8.0779 118.0135 58.2766 29.5730 177.8443 35 K 4.2542 7.0425 117.2175 55.0174 33.0645 174.7421 36 P 4.2359 0.0000 0.0000 63.0943 31.9795 177.9015 37 R 3.3831 8.6303 120.6914 59.1525 30.1643 179.2796 38 R 3.9469 7.8920 113.1660 58.6663 29.4486 177.4077 39 T 4.2215 7.6185 107.4622 62.7347 69.5063 174.9611 40 H 4.3233 7.8141 119.2988 55.8158 29.4756 174.6025 41 A 4.2889 8.0911 122.7287 52.0388 19.7714 176.8498 42 E 4.8993 8.7239 120.2003 54.4726 31.7350 174.3405 43 V 4.4237 8.6740 124.3507 60.9916 34.2883 174.3998 44 N 5.4940 8.4893 124.0004 51.3386 40.6515 175.8833 45 L 4.0787 8.8798 121.2900 58.4474 41.3529 180.0209 46 G 3.7875 7.9033 105.2200 48.0898 0.0000 175.4043 47 R 4.1844 8.1934 120.3759 58.9249 30.1662 178.6599 48 I 3.8275 7.6164 119.4314 64.3056 37.0322 177.5948 49 E 3.9393 8.1976 119.2243 59.4793 29.4524 178.6549 50 R 3.8680 7.4089 116.4408 58.3612 30.1170 176.4277 51 Y 4.7225 7.4632 111.9681 57.2838 39.2988 175.1253 52 A 4.7202 7.9936 123.3943 50.8841 20.5616 177.0710 53 Q 4.6192 8.1010 116.4526 53.8554 31.7851 174.8486 54 E 3.9251 8.7275 119.5061 58.1183 30.0050 176.5215 55 D 4.3813 8.8656 119.0393 54.9483 38.4326 173.3995 56 E 4.6784 7.8516 119.6022 54.3985 32.0439 175.4307 57 T 4.1747 8.4066 125.3584 63.9106 69.9046 173.8356 58 V 4.3936 8.7432 127.3137 62.3204 33.0290 174.7339 59 V 4.7854 8.8739 129.3264 61.4111 33.3860 174.4483 60 V 4.7923 9.0995 129.8910 59.2431 32.5499 174.5709 61 P 4.6867 0.0000 0.0000 60.7711 30.6031 175.0698 62 G 4.2234 7.1244 117.4803 47.4829 0.0000 175.5487 63 K 4.9881 9.5019 127.2880 54.1697 35.6739 173.7368 64 V 4.7401 8.1169 126.2752 61.5689 33.3366 174.8100 65 L 4.9946 9.3539 127.9988 52.6455 45.1435 176.6465 66 G 4.2106 8.5022 106.0447 46.7997 0.0000 174.0782 67 S 4.3885 8.2449 117.4044 59.1705 64.2538 175.5121 68 G 4.0427 8.9005 110.8203 44.9264 0.0000 172.2754 69 V 4.3804 7.9525 116.9550 60.6206 33.8275 174.4585 70 L 4.8496 8.4317 127.1079 53.5528 43.9771 175.5785 71 Q 4.4825 9.8998 126.0712 56.7676 30.5900 176.9315 72 K 4.0566 8.1750 115.9911 56.8522 32.7095 176.7722 73 D 5.5328 8.2863 122.7347 52.4121 40.1204 175.0076 74 V 4.6223 7.8269 115.2989 59.2072 36.4310 174.6703 75 T 4.8096 8.3949 119.5098 62.5284 69.8902 173.7481 76 V 4.8375 8.8125 127.9286 61.4276 33.6416 174.3783 77 A 5.9400 9.7651 129.4550 49.5400 21.6111 174.9338 78 A 5.0617 8.3328 122.6691 49.2528 22.9574 176.7459 79 V 3.5904 8.3773 118.7952 66.2421 32.1365 175.5783 80 D 4.6849 7.2346 116.8144 53.4660 44.4702 174.2153 81 F 5.5025 8.7923 120.3716 55.3440 42.8163 175.2101 82 S 4.2959 9.1748 117.2676 58.0818 63.8642 175.2771 83 G 3.8714 9.1144 108.8713 48.7678 0.0000 176.0753 84 T 3.8790 7.9076 117.0261 66.2649 68.5037 176.1787 85 A 4.0215 8.2087 122.7842 55.5258 18.3414 179.1209 86 E 3.6114 8.5038 117.2570 59.6872 29.2922 179.5679 87 T 3.8481 7.3842 114.7891 66.5928 68.6943 176.6877 88 K 4.2788 8.3277 120.7090 59.4903 32.0107 179.4521 89 I 3.7589 8.0125 120.2091 64.5546 36.9744 178.1071 90 D 4.9063 7.4781 119.1221 56.1442 40.7391 178.4877 91 Q 4.2181 7.6393 117.8478 57.6273 29.0838 176.7955 92 V 4.5402 7.4543 109.9094 60.7070 34.7591 174.4551 93 G 4.1693 8.2653 111.2438 44.9900 0.0000 173.1865 94 E 4.9683 9.4755 125.0360 54.3960 33.3290 173.7563 95 A 4.8780 8.8236 128.8045 50.4548 20.5992 176.4430 96 V 4.6123 9.1821 121.9267 60.9859 35.8437 174.7480 97 S 5.1085 8.6188 120.0554 57.4024 64.4196 175.0511 98 L 3.9741 8.2929 122.8324 58.3456 40.7949 179.9322 99 E 3.8510 7.6702 118.4325 59.2337 29.2484 179.5108 100 Q 3.7807 8.4178 118.3140 58.7128 28.9718 177.9874 101 A 4.0279 7.9548 121.2721 55.6304 18.3472 179.4388 102 I 3.1018 7.5468 118.2678 64.2029 36.7567 178.2207 103 E 4.0677 7.2459 118.8577 59.1596 29.7341 178.1250 104 N 4.5932 8.4270 115.7205 55.1258 40.1871 175.1559 105 N 5.1533 8.7977 118.5438 51.2211 39.1517 173.0476 106 P 4.9840 0.0000 0.0000 65.0586 32.0610 178.5522 107 E 4.0955 8.5236 117.2286 56.3857 30.3211 175.9972 108 G 3.5202 8.3172 108.4112 46.3214 0.0000 172.7554 109 S 4.5478 8.3338 110.8976 57.2022 66.4271 174.2274 110 H 4.0038 8.4097 116.2495 56.7641 25.7826 174.3161 111 V 4.7812 7.0922 116.2383 59.8888 35.3772 176.5669 112 R 4.5104 9.0792 123.2837 54.3996 32.6444 174.5472 113 V 4.3682 8.4356 127.1978 62.8926 32.3374 175.1202 114 I 4.7295 8.8684 128.4339 59.3708 40.8809 175.9731 115 R 4.1700 8.4279 122.1908 56.3421 29.5302 174.9240 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 4.44 0.00 3.99 3.99 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 2 K 8.25 4.06 0.00 1.85 1.79 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 T 8.41 4.31 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 7.94 4.43 0.00 2.75 2.70 0.00 0.00 7.23 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 4.33 0.00 2.19 2.08 0.00 3.64 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 2.17 0.00 6 R 8.56 3.88 0.00 1.92 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 1.76 0.00 7 L 8.06 3.94 0.00 1.75 1.82 0.91 1.00 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 7.95 4.11 0.00 4.15 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 9 S 7.94 4.09 0.00 4.00 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 10 L 8.13 3.87 0.00 1.69 1.84 0.82 0.96 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 11 I 7.88 3.68 2.02 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 1.45 0.95 0.91 0.00 0.00 12 A 8.10 4.06 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 13 D 8.41 4.31 0.00 2.74 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 3.91 0.00 1.83 1.98 0.91 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.98 3.96 0.00 2.00 1.86 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.66 7.81 16 S 8.15 4.04 0.00 3.89 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 17 A 8.01 3.98 1.47 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 0.00 0.00 18 A 7.76 4.92 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 0.00 0.00 19 R 8.15 4.12 0.00 1.80 2.01 0.00 3.19 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 20 S 8.31 4.21 0.00 3.89 3.84 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 21 S 8.44 4.46 0.00 4.25 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 22 G 8.59 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 0.00 0.00 0.00 23 G 7.42 3.69 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 0.00 0.00 0.00 24 A 8.20 4.40 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 25 V 7.19 3.43 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 0.62 0.00 0.00 -0.34 0.00 0.00 26 W 7.70 5.01 0.00 3.34 3.25 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 27 G 8.23 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 0.00 0.00 0.00 28 D 7.92 4.32 0.00 3.07 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 29 V 8.72 3.63 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 1.16 0.00 0.00 30 A 8.36 4.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 4.00 0.00 2.14 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 2.41 0.00 32 R 7.62 4.16 0.00 1.92 2.04 0.00 3.17 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 33 L 7.90 3.75 0.00 1.63 1.67 0.88 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.08 4.15 0.00 2.06 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 2.44 0.00 35 K 7.04 4.25 0.00 1.96 1.78 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.62 7.81 36 P 0.00 4.24 0.00 2.15 1.98 0.00 3.61 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 8.63 3.38 0.00 1.78 1.89 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 1.63 1.54 0.00 38 R 7.89 3.95 0.00 1.90 2.05 0.00 3.01 0.00 0.00 3.26 7.39 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 7.62 4.22 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 7.81 4.32 0.00 3.26 3.25 0.00 5.67 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 8.09 4.29 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 42 E 8.72 4.90 0.00 1.81 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 2.20 2.27 0.00 43 V 8.67 4.42 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 0.97 0.00 0.00 44 N 8.49 5.49 0.00 2.71 2.95 0.00 0.00 7.59 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 8.88 4.08 0.00 1.84 1.77 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.90 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 8.19 4.18 0.00 1.99 2.12 0.00 3.16 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 1.83 1.93 0.00 48 I 7.62 3.83 2.05 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 0.78 0.97 0.00 0.00 49 E 8.20 3.94 0.00 1.99 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 0.00 2.40 2.33 0.00 50 R 7.41 3.87 0.00 1.75 1.62 0.00 2.49 0.00 0.00 2.84 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.22 0.00 51 Y 7.46 4.72 0.00 2.96 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 52 A 7.99 4.72 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 8.10 4.62 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.95 0.00 0.00 0.00 0.00 0.00 2.60 2.38 0.00 54 E 8.73 3.93 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 2.55 2.36 0.00 55 D 8.87 4.38 0.00 2.83 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 56 E 7.85 4.68 0.00 1.92 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 2.23 2.29 0.00 57 T 8.41 4.17 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 1.38 0.00 0.00 58 V 8.74 4.39 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 0.96 0.00 0.00 0.99 0.00 0.00 59 V 8.87 4.79 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 1.02 0.00 0.00 1.16 0.00 0.00 60 V 9.10 4.79 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 1.09 0.00 0.00 0.96 0.00 0.00 61 P 0.00 4.69 0.00 2.13 2.23 0.00 3.92 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 2.05 1.96 0.00 62 G 7.12 4.22 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 0.00 63 K 9.50 4.99 0.00 1.69 1.56 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.26 1.34 7.81 64 V 8.12 4.74 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 1.15 0.00 0.00 0.75 0.00 0.00 65 L 9.35 4.99 0.00 1.85 1.55 0.93 -0.12 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 66 G 8.50 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 0.00 0.00 0.00 0.00 67 S 8.24 4.39 0.00 3.96 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 68 G 8.90 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 0.00 0.00 0.00 69 V 7.95 4.38 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 0.84 0.00 0.00 0.93 0.00 0.00 70 L 8.43 4.85 0.00 1.60 1.52 1.01 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.90 4.48 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.63 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 72 K 8.17 4.06 0.00 1.75 1.76 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.45 1.80 7.81 73 D 8.29 5.53 0.00 2.83 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 7.83 4.62 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 0.87 0.00 0.00 0.97 0.00 0.00 75 T 8.39 4.81 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 1.27 0.00 0.00 76 V 8.81 4.84 2.32 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 0.98 0.00 0.00 1.03 0.00 0.00 77 A 9.77 5.94 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 78 A 8.33 5.06 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 8.38 3.59 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 0.69 0.00 0.00 0.87 0.00 0.00 80 D 7.23 4.68 0.00 2.78 2.38 0.00 0.00 0.00 0.00 0.00 0.00 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 8.79 5.50 0.00 2.85 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 82 S 9.17 4.30 0.00 3.93 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 83 G 9.11 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 0.00 0.00 0.00 84 T 7.91 3.88 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 8.21 4.02 1.59 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 0.00 0.00 86 E 8.50 3.61 0.00 1.96 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 2.18 2.04 0.00 87 T 7.38 3.85 4.46 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 1.20 0.00 0.00 88 K 8.33 4.28 0.00 1.91 1.87 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.68 7.81 89 I 8.01 3.76 1.80 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.71 0.89 0.00 0.00 90 D 7.48 4.91 0.00 2.55 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 91 Q 7.64 4.22 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.76 0.00 92 V 7.45 4.54 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 0.78 0.00 0.00 0.99 0.00 0.00 93 G 8.27 4.17 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 0.00 0.00 0.00 94 E 9.48 4.97 0.00 2.00 1.73 0.00 0.00 0.00 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 95 A 8.82 4.88 0.56 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 0.00 0.00 96 V 9.18 4.61 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 1.10 0.00 0.00 0.94 0.00 0.00 97 S 8.62 5.11 0.00 4.21 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 8.29 3.97 0.00 1.67 1.62 0.98 1.26 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 99 E 7.67 3.85 0.00 2.03 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 2.28 2.32 0.00 100 Q 8.42 3.78 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 101 A 7.95 4.03 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 7.55 3.10 1.67 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 -0.09 0.43 0.63 0.00 0.00 103 E 7.25 4.07 0.00 1.79 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 2.32 0.00 104 N 8.43 4.59 0.00 2.75 2.91 0.00 0.00 6.76 7.58 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 0.00 105 N 8.80 5.15 0.00 2.81 3.01 0.00 0.00 6.83 7.75 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 0.00 106 P 0.00 4.98 0.00 2.35 2.45 0.00 4.00 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.01 0.00 107 E 8.52 4.10 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 2.40 0.00 108 G 8.32 3.52 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 0.00 109 S 8.33 4.55 0.00 3.95 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 8.41 4.00 0.00 3.31 3.32 0.00 5.56 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 0.00 111 V 7.09 4.78 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 0.45 0.00 0.00 0.93 0.00 0.00 112 R 9.08 4.51 0.00 2.13 1.81 0.00 3.13 0.00 0.00 3.08 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 113 V 8.44 4.37 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 0.85 0.00 0.00 0.88 0.00 0.00 114 I 8.87 4.73 1.90 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 1.48 1.00 0.95 0.00 0.00 115 R 8.43 4.17 0.00 1.84 1.81 0.00 3.04 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.57 0.00