NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 H 4.7785 8.3033 117.8339 55.3721 30.5790 174.1497 4 E 4.0272 8.0655 118.4313 57.4253 29.3892 175.4279 5 H 4.7411 8.0738 114.9862 55.4116 30.4918 173.1267 6 C 4.4368 7.7795 120.7875 58.7502 32.8362 172.9588 7 C 4.2601 8.3841 128.2923 57.5048 42.1801 172.0411 8 S 4.3982 8.3930 117.1699 57.5930 65.8846 174.3013 9 E 3.7453 8.6257 119.9867 60.0832 29.0283 179.3825 10 E 3.8855 7.9930 117.6395 59.3155 29.5856 178.6973 11 D 4.3357 7.6900 119.1424 58.0046 40.9351 179.0463 12 H 4.1615 8.3093 115.3059 58.3679 28.5524 177.5297 13 R 3.8662 7.7056 121.6426 59.1919 29.7873 178.5652 14 I 3.6601 7.9507 119.9227 64.2922 37.0926 178.3539 15 V 2.9903 7.3944 118.9558 66.0159 31.1081 177.9793 16 Q 4.1187 8.1055 117.6406 58.8647 28.3600 178.7752 17 K 3.9998 7.8548 119.2426 59.8862 32.6286 178.5775 18 Q 4.2929 8.6007 118.4783 58.5291 28.5887 178.5522 19 W 4.4789 9.2434 129.9663 60.9364 30.8733 177.5665 20 D 4.6446 8.8056 119.2839 58.0235 40.1598 179.2937 21 I 3.5624 7.3675 119.1631 64.3739 36.8481 178.1150 22 L 3.4320 7.0672 118.3142 55.7234 41.0033 177.7798 23 W 4.8920 6.8549 117.8021 56.2907 29.7814 176.6806 24 R 4.0281 7.5675 121.2812 58.6226 29.6088 176.7638 25 D 5.0040 7.6460 115.0755 51.4756 41.6151 176.4303 26 T 4.1163 8.3254 109.5878 63.7138 69.7219 174.7082 27 E 4.5257 7.8572 124.1423 55.8684 29.5582 177.8598 28 S 4.3888 8.0854 116.9273 61.5727 63.3554 175.6550 29 S 4.1066 8.1507 117.3918 61.2869 62.5498 176.0992 30 K 3.8536 8.1804 123.0813 59.2768 31.8015 178.5356 31 I 3.7708 7.5354 119.7089 64.2453 37.0359 178.4315 32 K 4.2114 9.0029 119.8940 59.7260 31.9064 179.4149 33 I 3.7904 8.3816 120.3078 64.2934 37.0971 178.6277 34 G 3.7222 8.1288 106.4973 47.8855 0.0000 175.4807 35 F 4.4921 8.5672 123.7394 60.8500 39.5329 177.3910 36 G 3.5494 8.5882 105.8244 47.8311 0.0000 175.3662 37 R 4.0327 8.3231 121.9449 59.0620 30.0729 178.2597 38 L 3.9399 7.9977 119.8822 58.1418 42.1275 178.9072 39 L 3.7821 7.7532 118.8740 57.8645 41.4680 179.6443 40 L 4.1182 8.0528 118.8293 57.9175 41.6051 179.5081 41 T 3.8312 8.0156 115.8216 66.6581 68.5391 176.5176 42 K 3.9615 8.1310 121.4180 59.2261 32.1163 178.6555 43 L 3.9916 7.9218 120.5283 58.1808 41.6895 178.8742 44 A 4.0252 8.4587 121.1191 54.8765 18.0144 179.5729 45 K 3.9059 7.7159 117.5651 59.7759 32.3828 178.4264 46 D 4.7969 7.8769 117.4255 55.2153 41.9230 176.4149 47 I 4.4875 7.9110 120.5723 57.4248 38.2245 173.5694 48 P 4.4647 0.0000 0.0000 65.1643 30.8471 177.9548 49 E 3.9994 8.2841 116.4030 59.1865 29.3472 179.0802 50 V 3.5460 7.9236 119.3189 66.0476 31.2341 177.5339 51 N 4.4436 7.9630 115.4130 56.4640 38.6237 176.7360 52 D 4.4937 8.0172 119.8916 57.2738 40.7355 178.5939 53 L 3.9027 7.7955 117.9941 57.0078 41.6099 178.4282 54 F 4.9259 7.6790 115.7564 57.2230 39.6782 177.7039 55 K 3.9408 8.0063 123.1544 59.7747 31.7284 178.6627 56 R 3.9554 8.0955 117.6571 58.6748 30.1853 177.0657 57 V 4.2419 7.8155 108.2652 60.3790 32.5770 174.6419 58 D 4.3961 8.0689 118.4940 55.0297 39.4413 175.2508 59 I 2.5014 7.5327 119.4322 63.3390 38.4285 176.1290 60 E 3.8863 8.1707 120.0756 58.7109 30.0785 176.4630 61 H 4.8340 7.9459 114.5058 53.3922 28.7690 174.0356 62 A 3.2421 7.8222 123.3841 55.0767 18.6805 178.9828 63 E 4.2563 8.1629 111.7131 57.8249 30.6296 177.7888 64 G 3.8921 8.7738 108.5094 43.7269 0.0000 172.5265 65 P 4.3396 0.0000 0.0000 65.6804 31.2302 178.8160 66 K 3.9595 8.0391 117.6465 59.5384 32.1227 178.9381 67 F 4.3616 8.2678 120.0784 60.8890 39.4032 177.2943 68 S 4.0392 8.3167 114.9846 61.5832 62.7113 176.4001 69 A 3.9819 8.1113 123.3301 55.3648 18.0017 179.1763 70 H 3.9931 8.1105 116.1058 59.3079 29.9766 177.0606 71 A 3.6231 7.9307 122.8509 55.3422 18.0971 179.6441 72 L 3.9261 7.9147 117.1434 57.7519 41.6633 179.7500 73 R 3.8201 7.8418 118.6398 59.4773 30.1051 178.4539 74 I 3.6810 7.7795 118.6556 63.9364 37.8667 177.6245 75 L 4.1789 8.0969 121.2811 58.3648 41.9603 178.7457 76 N 4.4669 8.8856 116.8555 55.8077 38.3372 177.7737 77 G 3.5900 8.0655 107.5924 47.8393 0.0000 175.6281 78 L 4.0172 8.1189 123.5393 57.6331 41.9847 178.5082 79 D 4.4872 8.6310 118.5314 57.0601 40.9511 177.9145 80 L 3.9078 7.9559 119.8173 58.0986 42.4403 178.3935 81 A 4.1175 7.8741 120.5542 55.3354 18.3243 179.6137 82 I 3.4457 7.6055 118.0404 64.5864 36.9996 178.2463 83 N 4.6382 8.3551 115.0060 54.7638 38.6279 176.1584 84 L 4.6171 7.4767 119.7722 54.2767 42.2192 177.9642 85 L 3.8535 7.5691 120.5393 57.6334 41.6601 177.3285 86 D 4.5656 7.8096 116.2253 54.0227 41.3773 176.6555 87 D 4.7537 8.1077 117.4012 50.4450 42.5993 173.2705 88 P 4.2295 0.0000 0.0000 65.4193 31.3443 176.7282 89 P 4.1965 0.0000 0.0000 65.3321 31.3010 178.2598 90 A 3.9771 7.9807 120.6073 54.6390 18.2272 179.3281 91 L 3.8718 7.9861 118.9151 58.4122 42.0898 178.9251 92 D 4.3278 8.3146 118.6951 57.2245 40.7607 178.4738 93 A 3.9719 7.9646 120.9793 55.3476 18.4154 179.5931 94 A 3.9758 7.9980 119.0756 55.3696 18.3672 179.8792 95 L 4.0380 8.4488 117.9249 57.4679 41.6313 179.1380 96 D 4.2505 8.3792 118.5262 57.5588 41.2274 177.5364 97 H 4.1098 8.3049 118.6601 59.5853 29.9009 176.9831 98 L 4.0576 8.1457 120.2525 57.7002 41.3207 179.4268 99 A 4.3620 8.1308 122.2847 55.0586 18.3662 179.2675 100 H 4.0430 8.2466 114.7329 59.3327 28.5664 178.0829 101 Q 4.0080 7.9538 118.5058 58.9855 28.8003 177.9991 102 H 4.5046 8.1198 116.7146 57.5075 28.8393 177.1465 103 E 3.8626 8.2352 121.5331 59.4746 29.4002 178.3461 104 V 3.8244 7.5183 107.6412 62.2825 31.2600 175.9008 105 R 4.4984 7.7611 121.3970 54.1105 31.2583 175.2560 106 E 4.3222 8.5668 121.8329 56.8035 30.7180 175.2409 107 G 4.1003 8.9982 110.7818 45.8648 0.0000 174.3578 108 V 3.7853 7.0240 119.7175 62.8419 31.9600 174.9617 109 Q 4.6798 8.2624 123.6400 53.1661 32.1955 175.9197 110 K 3.9721 8.6681 117.2233 59.6314 31.8766 179.3593 111 A 4.0838 7.9790 120.6567 55.4671 18.3176 179.0992 112 H 4.2895 8.2176 114.6683 59.2779 28.9063 178.0385 113 F 4.0714 8.3582 118.8832 59.9334 38.9408 177.6313 114 K 4.1028 8.1274 119.6140 59.1686 31.9801 178.8485 115 K 3.9858 8.2880 120.0160 59.4392 32.1949 178.4338 116 F 4.1756 8.5388 121.2047 61.3597 39.1751 177.1870 117 G 3.7766 8.2161 104.9434 47.8884 0.0000 175.4685 118 E 3.9631 8.1218 120.4947 59.3900 29.5809 179.3212 119 I 3.6178 8.0109 120.1722 64.4546 37.1175 178.2936 120 L 3.7083 8.1687 121.1459 57.9584 41.7022 178.8826 121 A 4.1142 8.0476 119.9191 55.2185 18.3110 179.5399 122 T 4.0478 7.7476 113.9959 66.7148 68.8111 177.1671 123 G 3.7702 8.0335 107.5775 47.2918 0.0000 175.9009 124 L 3.7605 7.6879 121.5178 57.1293 40.2883 177.8470 125 P 4.2506 0.0000 0.0000 64.9840 30.8328 177.9771 126 Q 3.9016 7.3808 116.5584 57.5758 28.6552 176.9945 127 V 4.0374 6.7162 111.6740 60.9222 34.1989 175.7413 128 L 4.4208 7.9354 121.1192 53.0217 42.6963 176.4312 129 D 4.6710 8.5354 122.1558 53.2006 39.8491 175.6165 130 D 4.5912 7.7649 118.7742 52.9707 42.8080 174.5213 131 Y 4.4547 8.3268 128.4313 55.3594 40.3935 174.7381 132 D 4.4935 8.6122 128.0041 53.1123 41.4801 176.0664 133 A 3.7296 8.3360 130.3152 54.9794 18.5785 179.0081 134 L 3.9228 7.8712 116.7125 57.8496 41.8948 179.2878 135 A 3.9330 8.8137 120.9388 55.0105 18.2971 179.6347 136 W 3.8875 8.0808 117.4106 59.6773 29.1689 178.5212 137 K 4.0173 8.3101 119.7474 59.6745 31.7668 178.9728 138 S 4.1447 7.9868 113.9910 61.6249 63.0024 175.7722 139 C 4.2261 8.2344 120.2986 59.7304 36.9276 176.1154 140 L 3.9679 8.6823 120.9041 57.5295 41.0543 179.6530 141 K 4.0768 8.1995 119.7726 59.3746 32.2021 178.9067 142 G 3.7185 7.9194 105.7081 48.0102 0.0000 175.4918 143 I 3.6778 7.6907 122.5180 64.1242 36.9891 178.5146 144 L 4.2453 8.2619 118.6584 58.2804 41.6092 179.6419 145 T 3.9955 8.3030 115.9884 66.4460 68.5535 176.8102 146 K 3.8926 7.9941 121.6035 59.5780 32.1631 178.9319 147 I 3.8583 7.9315 120.0984 62.9685 36.8124 177.3916 148 S 4.2465 7.0184 113.0176 57.4421 63.2648 176.0717 149 S 4.0017 7.3886 116.0026 61.5491 62.7663 175.0924 150 R 4.3351 7.7131 118.0349 55.9959 29.8598 176.2180 151 L 4.2580 7.3424 124.5283 54.8827 41.8234 176.3556 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 3 H 8.30 4.78 0.00 3.19 3.36 0.00 5.58 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.07 4.03 0.00 1.73 1.89 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 2.25 2.40 0.00 5 H 8.07 4.74 0.00 3.13 3.29 0.00 5.68 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 6 C 7.78 4.44 0.00 3.10 2.84 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 7 C 8.38 4.26 0.00 3.00 3.01 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 S 8.39 4.40 0.00 4.07 4.12 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 9 E 8.63 3.75 0.00 1.94 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 2.39 2.34 0.00 10 E 7.99 3.89 0.00 1.93 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 2.32 0.00 11 D 7.69 4.34 0.00 2.76 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 12 H 8.31 4.16 0.00 3.22 3.47 0.00 5.29 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 7.71 3.87 0.00 1.96 2.06 0.00 3.09 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 14 I 7.95 3.66 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 1.68 0.71 0.94 0.00 0.00 15 V 7.39 2.99 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 -0.23 0.00 0.00 0.07 0.00 0.00 16 Q 8.11 4.12 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.57 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 17 K 7.85 4.00 0.00 1.92 2.07 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.54 7.81 18 Q 8.60 4.29 0.00 2.71 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.54 2.70 0.00 19 W 9.24 4.48 0.00 3.98 3.56 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 20 D 8.81 4.64 0.00 3.13 2.84 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 I 7.37 3.56 2.01 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 1.48 0.68 0.75 0.00 0.00 22 L 7.07 3.43 0.00 0.27 0.13 -0.14 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 23 W 6.85 4.89 0.00 3.21 3.10 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 24 R 7.57 4.03 0.00 1.68 1.98 0.00 3.27 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 25 D 7.65 5.00 0.00 2.76 2.61 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 26 T 8.33 4.12 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 1.23 0.00 0.00 27 E 7.86 4.53 0.00 2.03 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 2.36 2.24 0.00 28 S 8.09 4.39 0.00 4.17 4.33 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 29 S 8.15 4.11 0.00 4.08 4.18 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 30 K 8.18 3.85 0.00 1.91 2.07 0.00 1.62 0.00 0.00 1.84 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.64 7.81 31 I 7.54 3.77 2.21 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.61 0.73 0.00 0.00 32 K 9.00 4.21 0.00 2.06 1.94 0.00 1.54 0.00 0.00 1.64 0.00 0.00 2.35 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.53 1.56 7.81 33 I 8.38 3.79 1.96 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 1.60 0.80 0.94 0.00 0.00 34 G 8.13 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 0.00 0.00 0.00 35 F 8.57 4.49 0.00 3.15 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 36 G 8.59 3.55 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 0.00 0.00 0.00 37 R 8.32 4.03 0.00 2.02 2.22 0.00 3.34 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 38 L 8.00 3.94 0.00 1.90 1.85 0.94 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.75 3.78 0.00 1.74 1.46 0.31 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.05 4.12 0.00 1.85 1.59 0.40 0.49 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 41 T 8.02 3.83 4.54 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 1.19 0.00 0.00 42 K 8.13 3.96 0.00 1.95 1.94 0.00 1.51 0.00 0.00 1.55 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.46 7.81 43 L 7.92 3.99 0.00 2.08 1.98 1.07 1.11 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 44 A 8.46 4.03 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 45 K 7.72 3.91 0.00 1.92 2.04 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.52 7.81 46 D 7.88 4.80 0.00 2.75 2.73 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 0.00 0.00 0.00 47 I 7.91 4.49 1.88 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 1.40 1.00 0.97 0.00 0.00 48 P 0.00 4.46 0.00 2.26 2.34 0.00 3.89 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 2.09 1.92 0.00 49 E 8.28 4.00 0.00 2.23 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 0.00 2.41 2.38 0.00 50 V 7.92 3.55 2.26 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 1.33 0.00 0.00 0.78 0.00 0.00 51 N 7.96 4.44 0.00 2.92 2.88 0.00 0.00 7.07 8.03 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 52 D 8.02 4.49 0.00 2.81 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 53 L 7.80 3.90 0.00 1.26 1.25 0.81 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 54 F 7.68 4.93 0.00 3.22 3.09 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 55 K 8.01 3.94 0.00 1.95 1.84 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.47 7.81 56 R 8.10 3.96 0.00 1.82 1.98 0.00 3.45 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 57 V 7.82 4.24 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 0.81 0.00 0.00 1.21 0.00 0.00 58 D 8.07 4.40 0.00 3.01 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 59 I 7.53 2.50 1.71 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 -0.26 1.02 0.00 0.00 60 E 8.17 3.89 0.00 1.91 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 0.00 2.06 2.25 0.00 61 H 7.95 4.83 0.00 3.39 3.36 0.00 5.90 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.82 3.24 1.16 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 63 E 8.16 4.26 0.00 2.13 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 2.30 2.27 0.00 64 G 8.77 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 0.00 0.00 0.00 65 P 0.00 4.34 0.00 2.30 2.35 0.00 3.73 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 2.10 2.08 0.00 66 K 8.04 3.96 0.00 1.87 2.18 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.57 1.48 7.81 67 F 8.27 4.36 0.00 3.42 3.09 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 68 S 8.32 4.04 0.00 4.13 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 69 A 8.11 3.98 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 70 H 8.11 3.99 0.00 3.27 3.22 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.93 3.62 1.16 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 72 L 7.91 3.93 0.00 1.88 1.70 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.84 3.82 0.00 2.09 1.88 0.00 3.11 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 74 I 7.78 3.68 1.73 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 1.46 1.15 0.84 0.00 0.00 75 L 8.10 4.18 0.00 2.05 1.76 1.57 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.89 4.47 0.00 2.94 2.85 0.00 0.00 6.93 7.62 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 77 G 8.07 3.59 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 0.00 78 L 8.12 4.02 0.00 1.91 1.98 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.63 4.49 0.00 3.13 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 80 L 7.96 3.91 0.00 1.77 2.00 0.92 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 81 A 7.87 4.12 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 82 I 7.61 3.45 1.47 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.28 0.71 0.00 0.00 83 N 8.36 4.64 0.00 2.85 2.91 0.00 0.00 6.96 7.93 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 84 L 7.48 4.62 0.00 1.70 1.61 0.91 0.61 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 85 L 7.57 3.85 0.00 1.59 1.49 0.71 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 86 D 7.81 4.57 0.00 2.60 2.61 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 87 D 8.11 4.75 0.00 2.65 2.54 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 88 P 0.00 4.23 0.00 2.27 2.29 0.00 3.72 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 2.06 2.04 0.00 89 P 0.00 4.20 0.00 2.27 2.33 0.00 3.78 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.02 0.00 90 A 7.98 3.98 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 91 L 7.99 3.87 0.00 1.94 1.85 0.93 0.98 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 92 D 8.31 4.33 0.00 3.02 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 93 A 7.96 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.00 3.98 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 95 L 8.45 4.04 0.00 1.66 1.71 0.90 0.85 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 96 D 8.38 4.25 0.00 2.92 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 97 H 8.30 4.11 0.00 3.32 3.50 0.00 5.84 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 98 L 8.15 4.06 0.00 1.95 1.80 1.00 0.94 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 A 8.13 4.36 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 0.00 100 H 8.25 4.04 0.00 3.30 3.31 0.00 5.63 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 0.00 101 Q 7.95 4.01 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.93 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 102 H 8.12 4.50 0.00 3.25 3.42 0.00 5.83 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.24 3.86 0.00 1.98 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 0.00 2.32 2.27 0.00 104 V 7.52 3.82 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 0.72 0.00 0.00 0.96 0.00 0.00 105 R 7.76 4.50 0.00 1.89 1.78 0.00 3.24 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.62 0.00 106 E 8.57 4.32 0.00 2.06 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 0.00 107 G 9.00 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 0.00 108 V 7.02 3.79 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 1.07 0.00 0.00 0.90 0.00 0.00 109 Q 8.26 4.68 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.63 0.00 0.00 0.00 0.00 0.00 1.81 2.18 0.00 110 K 8.67 3.97 0.00 1.82 1.93 0.00 1.65 0.00 0.00 1.78 0.00 0.00 3.14 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.48 7.81 111 A 7.98 4.08 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 0.00 112 H 8.22 4.29 0.00 3.50 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 F 8.36 4.07 0.00 3.26 3.18 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 0.00 114 K 8.13 4.10 0.00 1.95 2.03 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.51 7.81 115 K 8.29 3.99 0.00 2.12 1.88 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.65 7.81 116 F 8.54 4.18 0.00 3.06 3.09 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 0.00 117 G 8.22 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 0.00 0.00 0.00 118 E 8.12 3.96 0.00 2.24 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 2.36 2.54 0.00 119 I 8.01 3.62 1.78 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 1.36 0.65 0.72 0.00 0.00 120 L 8.17 3.71 0.00 1.38 1.70 0.88 1.29 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 0.00 121 A 8.05 4.11 1.45 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 0.00 122 T 7.75 4.05 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 1.16 0.00 0.00 123 G 8.03 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 0.00 124 L 7.69 3.76 0.00 1.10 1.02 0.62 0.99 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 0.00 125 P 0.00 4.25 0.00 2.00 1.77 0.00 3.29 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.50 0.00 126 Q 7.38 3.90 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 127 V 6.72 4.04 1.64 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 0.38 0.00 0.00 0.29 0.00 0.00 128 L 7.94 4.42 0.00 1.50 1.51 0.81 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.54 4.67 0.00 2.72 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 0.00 130 D 7.76 4.59 0.00 2.62 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 0.00 131 Y 8.33 4.45 0.00 2.75 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 0.00 132 D 8.61 4.49 0.00 2.86 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 0.00 133 A 8.34 3.73 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 0.00 134 L 7.87 3.92 0.00 1.87 1.72 0.93 1.11 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 0.00 135 A 8.81 3.93 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 0.00 136 W 8.08 3.89 0.00 3.25 3.40 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 0.00 137 K 8.31 4.02 0.00 2.08 2.03 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.54 7.81 138 S 7.99 4.14 0.00 4.18 4.12 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 0.00 139 C 8.23 4.23 0.00 2.85 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 0.00 140 L 8.68 3.97 0.00 1.87 1.87 1.27 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.20 4.08 0.00 2.08 1.95 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.51 7.81 142 G 7.92 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 0.00 0.00 0.00 143 I 7.69 3.68 2.04 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 1.50 0.65 0.96 0.00 0.00 144 L 8.26 4.25 0.00 1.76 2.00 1.15 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.30 4.00 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 1.18 0.00 0.00 146 K 7.99 3.89 0.00 2.06 1.77 0.00 1.49 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.41 1.48 7.81 147 I 7.93 3.86 1.81 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 1.59 1.34 0.83 0.00 0.00 148 S 7.02 4.25 0.00 3.47 2.63 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 0.00 149 S 7.39 4.00 0.00 3.99 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 0.00 150 R 7.71 4.34 0.00 1.71 2.02 0.00 2.92 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 151 L 7.34 4.26 0.00 1.56 1.49 0.71 0.73 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