NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.9455 8.1576 120.0886 57.0599 34.9043 174.0749 2 V 4.7998 8.5549 120.6828 59.0548 34.8501 172.6930 3 L 4.6562 8.7253 124.7955 53.1961 45.2465 176.2671 4 F 4.7235 9.0385 126.4071 56.0545 40.4700 175.1886 5 V 5.5684 8.5135 123.9516 59.2423 34.4049 174.7646 6 C 4.9057 8.1815 117.5121 57.6436 33.2277 172.9558 7 I 4.0907 8.7557 120.5732 64.1817 35.9393 177.6694 8 H 4.3133 9.1124 126.7008 56.8330 30.0075 175.4359 9 N 4.2718 7.9460 116.7401 53.7499 36.7128 172.9214 10 T 4.4879 7.3466 113.5463 62.9791 72.4896 174.6775 11 A 4.7004 7.3963 120.1151 51.8024 21.7494 177.7032 12 R 3.8792 8.6026 114.4464 58.5738 30.7641 178.3918 13 S 4.1037 8.1178 113.9195 62.0183 62.7361 177.1199 14 V 3.5944 7.6957 119.9263 65.9922 31.2930 177.8160 15 M 3.9659 8.4423 118.7296 58.3607 31.8161 178.2727 16 A 3.7769 7.9437 120.9948 55.3550 18.2123 178.8009 17 E 3.6449 7.4701 116.8405 59.5297 29.5099 178.7272 18 A 4.0435 7.8786 120.1871 55.4465 18.6453 179.6964 19 L 3.9634 8.0697 117.2820 57.7309 41.6853 179.1985 20 F 4.0419 8.5538 120.9950 61.6179 39.1790 176.7258 21 N 4.5870 8.5902 114.9398 56.5312 38.5462 176.6405 22 A 4.2618 7.7756 119.5589 53.6382 18.7144 177.6600 23 M 4.3792 7.2703 114.4925 55.5115 34.4405 176.4630 24 A 4.1395 8.0752 121.6480 51.4838 19.4861 176.9185 25 K 4.2272 8.7337 124.3769 58.7097 32.9971 177.8856 26 S 4.5200 8.1211 111.1495 60.0738 63.9646 174.8903 27 W 4.4521 8.3597 119.1960 56.2842 29.7455 174.8322 28 K 5.2041 8.7583 119.0846 54.9183 35.9305 174.3764 29 A 5.3189 8.5445 120.6730 51.2190 22.4011 174.9695 30 E 5.3623 9.2970 117.9031 54.4198 34.8676 174.3011 31 S 5.2406 8.4875 113.5406 57.5074 66.4120 172.7844 32 A 5.3773 8.1995 121.2706 51.5781 23.0511 175.1892 33 G 4.8590 8.4018 104.8787 43.5323 0.0000 174.0353 34 V 3.5136 8.5811 121.1255 64.9448 32.0188 175.9073 35 E 4.9292 7.9387 118.9243 53.4327 32.8590 175.7617 36 K 4.0945 8.6862 123.1381 57.3540 33.2156 176.1282 37 A 4.6651 7.9738 121.9081 51.2521 22.2062 176.4326 38 E 4.1716 9.0138 122.6701 58.5342 30.0144 177.4863 39 R 4.7018 7.5729 112.3911 53.8898 32.2870 175.0373 40 V 3.8964 8.1165 119.3089 61.8055 32.6973 175.3157 41 D 4.4373 8.5071 125.5869 55.2843 41.7889 177.6289 42 E 4.0751 8.7860 125.0559 59.5350 29.5010 179.5963 43 T 3.7377 8.4942 116.5855 66.2364 68.3403 176.9669 44 V 3.6593 7.7046 119.9545 65.9868 31.8163 178.1382 45 K 4.1916 8.0063 118.4562 59.7401 32.2323 179.1344 46 R 3.8293 7.8379 119.5048 59.4540 29.3268 178.3449 47 L 4.0229 8.2082 119.1529 57.8493 41.5132 179.6779 48 L 4.2474 8.5482 119.0429 57.6313 41.7126 179.2893 49 A 4.1508 8.1361 121.8774 54.2715 18.0395 179.0156 50 E 3.9828 8.2094 117.3083 58.1569 29.9051 177.2018 51 R 4.3987 7.2517 117.5062 55.6363 30.1857 175.5639 52 G 3.9011 7.8342 103.0088 46.9140 0.0000 173.7583 53 L 4.7572 8.4857 119.0877 52.3064 44.5904 175.9321 54 K 4.4140 8.5105 122.0519 54.6195 33.2537 176.6139 55 A 4.3059 8.3321 126.9605 50.9019 19.3838 176.5117 56 K 4.1383 8.2680 120.3145 56.5293 32.8418 176.6711 57 E 4.1868 8.8264 124.8065 58.9698 29.6675 177.7367 58 K 4.6200 7.5451 114.7054 54.3743 35.3720 173.6550 59 P 4.5633 0.0000 0.0000 63.0417 32.1866 175.6313 60 R 4.6269 8.9253 120.8299 54.3413 31.7592 175.6716 61 T 4.5777 8.7031 120.9423 63.2770 69.4027 175.8971 62 V 3.7649 9.2619 125.0744 63.7656 31.7722 177.1345 63 D 4.4200 8.0378 120.8776 57.3103 41.3039 176.9096 64 E 4.4287 7.9382 115.5955 56.3179 29.2115 176.3097 65 V 4.3560 7.3605 118.7475 61.1482 34.3152 175.2193 66 N 4.7063 8.7263 124.8437 51.8777 37.7487 175.2677 67 L 4.2072 8.7142 124.5248 58.1387 41.8976 179.8635 68 D 4.4459 8.2591 116.2073 57.0609 40.9153 177.6430 69 D 4.2343 7.8771 118.5151 56.7397 40.8378 176.9511 70 F 4.5191 7.9789 116.9515 57.0652 39.8567 174.9338 71 D 4.9592 8.2629 119.5596 53.7054 42.5559 176.2863 72 L 4.2612 7.7375 116.8912 54.6704 44.9363 173.0244 73 I 4.2279 8.3623 129.7484 59.1434 39.4628 174.5857 74 V 3.7726 7.5836 130.7379 61.1308 33.0037 175.1412 75 T 4.5819 8.2375 122.4130 61.7878 70.4368 174.1598 76 V 4.4380 8.3892 128.2201 62.3159 31.1300 174.9858 77 C 4.6926 8.9682 125.6621 56.1134 40.6959 173.9316 78 E 4.6138 8.3378 119.4257 55.4896 31.2373 176.8483 79 E 4.2483 8.7332 119.3428 60.0484 30.1233 178.4492 80 S 4.6866 7.2115 110.6591 56.0258 63.9340 176.6764 81 S 4.6307 7.3932 110.1986 58.9402 64.0521 174.9022 82 C 4.4507 8.0986 123.3801 56.4023 44.0963 173.3515 83 V 3.9368 8.2910 127.7077 61.3827 31.9045 175.7301 84 V 4.3385 8.1024 121.8572 59.9878 33.3373 175.0444 85 L 4.7433 7.9882 121.4856 52.2734 44.6364 175.6091 86 P 4.6253 0.0000 0.0000 61.7471 29.3156 175.8926 87 T 4.4770 7.1192 113.1384 61.9562 70.6206 172.6363 88 D 4.6184 8.7264 127.2668 54.7637 40.8543 176.3501 89 K 4.3265 7.4781 119.9650 55.0872 33.0729 174.2796 90 P 4.7602 0.0000 0.0000 62.5863 32.6382 175.7487 91 V 5.3286 8.0803 122.1421 60.5120 34.5134 174.2869 92 T 4.6230 8.2762 120.0781 61.9843 72.1071 173.0511 93 R 4.9447 8.3556 120.0066 54.6446 33.7929 175.0800 94 W 4.8709 9.4385 124.5602 55.2620 31.7215 174.9996 95 H 5.2157 9.0017 123.2657 55.2101 28.3744 174.7098 96 I 4.5996 8.1208 123.9534 58.7220 39.9472 175.7218 97 E 3.7273 9.0635 127.2201 56.6852 29.7558 175.8427 98 N 4.5085 8.6353 124.8915 52.3611 38.6272 172.8829 99 P 4.0510 0.0000 0.0000 64.4575 31.7913 176.1017 100 A 4.0587 6.7026 120.7564 53.4319 18.7884 176.0732 101 G 4.4550 9.5109 115.3443 45.9416 0.0000 175.4796 102 K 3.9497 7.5669 118.2077 57.6889 33.1050 179.0401 103 D 4.0912 8.6224 115.1728 53.5967 43.3383 176.3705 104 E 3.8354 8.7345 114.3941 57.0883 30.4896 177.2106 105 G 3.8788 8.4834 101.7231 45.8887 0.0000 174.5736 106 T 3.9561 8.0627 118.0788 67.1254 68.1940 175.5537 107 Y 3.8808 7.9962 117.5317 61.2022 37.8796 178.9126 108 R 4.0656 8.0447 118.4335 59.2230 30.2910 178.8774 109 R 3.8585 8.1097 118.5004 59.4942 30.0747 178.7633 110 V 3.5637 7.9937 118.2789 65.7309 31.4823 177.6973 111 L 3.9064 8.2634 120.3453 58.0616 41.9243 178.8282 112 A 3.9676 8.1833 120.7487 55.1931 18.3365 179.3773 113 E 3.8227 8.0140 116.8310 59.7522 29.5877 179.6154 114 I 3.6679 7.6649 119.7029 64.3865 37.0352 178.1630 115 E 3.8993 8.1301 120.0843 59.2564 29.5736 178.4704 116 E 3.8451 8.5225 119.8160 59.2582 29.5885 179.0517 117 R 3.6334 7.9095 118.1977 58.7928 30.0452 179.1248 118 V 3.8850 8.1827 118.4221 65.8138 31.3687 177.7207 119 K 3.7499 7.9560 118.4283 59.5060 32.2972 178.1717 120 K 4.0091 7.7441 119.0081 59.5642 32.1282 178.4153 121 L 4.0775 8.3187 120.9675 58.0864 41.7100 178.5864 122 V 3.8828 7.9424 114.6219 63.5596 31.1043 177.0186 123 G 3.6879 7.8038 108.3877 48.0104 0.0000 173.8339 124 E 4.1676 7.8190 124.4644 56.3752 29.9275 174.3993 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 K 8.16 4.95 0.00 2.08 2.07 0.00 1.40 0.00 0.00 1.72 0.00 0.00 2.54 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.38 7.81 2 V 8.55 4.80 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 -0.32 0.00 0.00 0.16 0.00 0.00 3 L 8.73 4.66 0.00 0.37 0.85 0.06 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 4 F 9.04 4.72 0.00 2.92 2.82 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 5 V 8.51 5.57 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 0.59 0.00 0.00 0.89 0.00 0.00 6 C 8.18 4.91 0.00 2.97 3.06 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 0.00 0.00 0.00 0.00 7 I 8.76 4.09 1.94 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 0.58 0.92 0.00 0.00 8 H 9.11 4.31 0.00 3.26 3.41 0.00 5.70 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 7.95 4.27 0.00 2.86 2.82 0.00 0.00 7.11 7.70 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 10 T 7.35 4.49 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 1.29 0.00 0.00 11 A 7.40 4.70 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 12 R 8.60 3.88 0.00 1.85 2.04 0.00 3.17 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 13 S 8.12 4.10 0.00 3.83 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 14 V 7.70 3.59 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 1.08 0.00 0.00 0.92 0.00 0.00 15 M 8.44 3.97 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.58 0.00 16 A 7.94 3.78 0.57 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 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.47 3.64 0.00 1.97 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 2.36 2.43 0.00 18 A 7.88 4.04 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.07 3.96 0.00 1.71 1.73 0.94 0.81 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 20 F 8.55 4.04 0.00 3.40 3.38 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 21 N 8.59 4.59 0.00 2.98 3.01 0.00 0.00 7.15 6.91 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 22 A 7.78 4.26 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 M 7.27 4.38 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.39 0.00 24 A 8.08 4.14 1.04 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 25 K 8.73 4.23 0.00 1.75 1.88 0.00 1.83 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.39 7.81 26 S 8.12 4.52 0.00 4.06 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 27 W 8.36 4.45 0.00 3.48 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 28 K 8.76 5.20 0.00 1.78 1.84 0.00 1.68 0.00 0.00 1.89 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.52 7.81 29 A 8.54 5.32 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 30 E 9.30 5.36 0.00 2.19 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 2.36 2.33 0.00 31 S 8.49 5.24 0.00 3.87 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 32 A 8.20 5.38 1.14 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 33 G 8.40 4.86 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 34 V 8.58 3.51 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 0.72 0.00 0.00 0.97 0.00 0.00 35 E 7.94 4.93 0.00 1.96 1.76 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 2.18 2.27 0.00 36 K 8.69 4.09 0.00 1.89 1.82 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.41 1.52 7.81 37 A 7.97 4.67 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 38 E 9.01 4.17 0.00 1.98 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 2.32 2.25 0.00 39 R 7.57 4.70 0.00 1.85 1.87 0.00 3.10 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 40 V 8.12 3.90 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 0.88 0.00 0.00 0.95 0.00 0.00 41 D 8.51 4.44 0.00 2.92 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 42 E 8.79 4.08 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 2.39 2.32 0.00 43 T 8.49 3.74 3.50 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 0.59 0.00 0.00 44 V 7.70 3.66 2.30 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 1.05 0.00 0.00 1.15 0.00 0.00 45 K 8.01 4.19 0.00 2.05 2.07 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.69 1.49 7.81 46 R 7.84 3.83 0.00 1.95 2.17 0.00 3.06 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 47 L 8.21 4.02 0.00 2.06 1.75 0.92 0.66 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 48 L 8.55 4.25 0.00 1.69 1.84 0.93 0.86 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 49 A 8.14 4.15 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 50 E 8.21 3.98 0.00 2.12 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 2.32 2.24 0.00 51 R 7.25 4.40 0.00 1.99 2.01 0.00 3.40 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 52 G 7.83 3.90 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 0.00 0.00 0.00 53 L 8.49 4.76 0.00 1.66 1.54 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.51 4.41 0.00 1.73 1.75 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.49 7.81 55 A 8.33 4.31 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 56 K 8.27 4.14 0.00 1.74 1.74 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.67 1.49 7.81 57 E 8.83 4.19 0.00 1.99 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 0.00 2.33 2.38 0.00 58 K 7.55 4.62 0.00 1.82 1.73 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.47 7.81 59 P 0.00 4.56 0.00 2.13 2.30 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 60 R 8.93 4.63 0.00 1.87 2.04 0.00 2.81 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 61 T 8.70 4.58 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 1.31 0.00 0.00 62 V 9.26 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 0.67 0.00 0.00 0.86 0.00 0.00 63 D 8.04 4.42 0.00 2.73 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 64 E 7.94 4.43 0.00 2.12 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 2.35 2.25 0.00 65 V 7.36 4.36 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 1.05 0.00 0.00 0.99 0.00 0.00 66 N 8.73 4.71 0.00 2.88 2.78 0.00 0.00 7.11 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 67 L 8.71 4.21 0.00 1.75 1.82 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.26 4.45 0.00 2.66 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 69 D 7.88 4.23 0.00 2.10 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 0.00 0.00 0.00 70 F 7.98 4.52 0.00 2.99 2.98 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 71 D 8.26 4.96 0.00 2.48 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.74 4.26 0.00 1.81 1.62 0.64 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.36 4.23 1.67 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.53 0.86 0.00 0.00 74 V 7.58 3.77 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 -0.57 0.00 0.00 -0.70 0.00 0.00 75 T 8.24 4.58 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 1.19 0.00 0.00 76 V 8.39 4.44 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 0.83 0.00 0.00 1.02 0.00 0.00 77 C 8.97 4.69 0.00 2.96 3.02 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 78 E 8.34 4.61 0.00 2.02 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 2.40 2.24 0.00 79 E 8.73 4.25 0.00 1.93 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 2.27 2.29 0.00 80 S 7.21 4.69 0.00 3.97 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 81 S 7.39 4.63 0.00 3.95 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 82 C 8.10 4.45 0.00 3.00 3.06 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 0.00 0.00 0.00 0.00 83 V 8.29 3.94 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 0.77 0.00 0.00 0.91 0.00 0.00 84 V 8.10 4.34 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 0.76 0.00 0.00 0.91 0.00 0.00 85 L 7.99 4.74 0.00 1.56 1.56 0.85 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.63 0.00 2.17 2.09 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 87 T 7.12 4.48 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 1.19 0.00 0.00 88 D 8.73 4.62 0.00 2.69 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 89 K 7.48 4.33 0.00 1.74 1.78 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.55 7.81 90 P 0.00 4.76 0.00 2.13 2.20 0.00 3.69 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 2.14 2.05 0.00 91 V 8.08 5.33 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 0.87 0.00 0.00 0.85 0.00 0.00 92 T 8.28 4.62 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 1.34 0.00 0.00 93 R 8.36 4.94 0.00 1.62 1.71 0.00 3.16 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 94 W 9.44 4.87 0.00 3.16 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 95 H 9.00 5.22 0.00 3.09 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.12 4.60 1.96 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.77 0.93 0.00 0.00 97 E 9.06 3.73 0.00 1.91 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 2.31 0.00 98 N 8.64 4.51 0.00 2.72 2.72 0.00 0.00 7.17 7.69 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 99 P 0.00 4.05 0.00 0.49 1.74 0.00 3.64 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 1.54 1.48 0.00 100 A 6.70 4.06 1.38 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 0.00 0.00 101 G 9.51 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 0.00 0.00 0.00 0.00 102 K 7.57 3.95 0.00 2.00 1.98 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.56 7.81 103 D 8.62 4.09 0.00 3.01 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 0.00 0.00 0.00 0.00 104 E 8.73 3.84 0.00 2.21 1.72 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 2.57 2.46 0.00 105 G 8.48 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 0.00 0.00 0.00 106 T 8.06 3.96 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 0.00 107 Y 8.00 3.88 0.00 3.04 3.05 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 0.00 108 R 8.04 4.07 0.00 2.09 2.01 0.00 3.15 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 109 R 8.11 3.86 0.00 1.87 2.12 0.00 3.25 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 110 V 7.99 3.56 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 0.86 0.00 0.00 0.93 0.00 0.00 111 L 8.26 3.91 0.00 1.90 1.91 0.93 0.95 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 0.00 112 A 8.18 3.97 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 0.00 113 E 8.01 3.82 0.00 2.16 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 2.45 0.00 114 I 7.66 3.67 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 1.50 0.88 1.00 0.00 0.00 115 E 8.13 3.90 0.00 2.18 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 0.00 2.28 2.30 0.00 116 E 8.52 3.85 0.00 1.97 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 2.21 2.28 0.00 117 R 7.91 3.63 0.00 1.30 0.66 0.00 2.84 0.00 0.00 2.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.44 0.00 118 V 8.18 3.89 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 1.19 0.00 0.00 1.24 0.00 0.00 119 K 7.96 3.75 0.00 1.83 2.01 0.00 1.83 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.42 7.81 120 K 7.74 4.01 0.00 1.92 1.86 0.00 1.62 0.00 0.00 1.47 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.41 7.81 121 L 8.32 4.08 0.00 2.11 2.16 0.99 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 122 V 7.94 3.88 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 0.65 0.00 0.00 0.53 0.00 0.00 123 G 7.80 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 0.00 124 E 7.82 4.17 0.00 1.84 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 2.27 2.38 0.00