NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4315 8.3044 118.1936 55.1394 32.5359 174.6496 1 V 4.1920 7.9782 121.5134 60.9760 34.3494 172.7762 2 L 4.2060 8.2973 127.6523 54.4120 43.3072 176.9543 3 S 4.6021 8.6708 117.1182 57.5049 65.5785 175.1440 4 E 4.3111 8.7784 122.5669 59.4446 29.3849 178.9974 5 G 3.6448 8.1135 105.3695 47.9076 0.0000 175.3875 6 E 3.9417 8.1704 120.9323 58.9071 29.4165 179.4284 7 W 4.3567 8.1691 119.0194 59.9832 29.0920 178.6259 8 Q 4.2443 8.6095 118.2127 58.8566 27.8750 178.7585 9 L 4.0934 7.8157 119.8887 57.5112 41.6089 179.6972 10 V 3.7814 7.8455 118.3214 66.2376 31.6976 178.2672 11 L 4.2826 8.6307 118.9475 57.7288 41.1644 179.0159 12 H 4.2944 8.3662 118.3457 59.1661 30.1886 177.2928 13 V 3.8346 7.8367 120.8324 64.1815 31.5547 178.1954 14 W 3.8854 8.4796 128.8385 60.0027 30.2474 177.7377 15 A 4.0299 7.8531 120.1719 54.9674 18.0363 179.4191 16 K 3.9528 7.7402 117.0232 59.3025 32.1903 179.5809 17 V 2.7351 7.1170 118.0254 65.7261 31.0372 177.2895 18 E 4.0221 7.6333 115.4179 57.7232 29.3296 178.4540 19 A 4.1809 7.6518 121.1054 54.1947 19.5583 177.6143 20 D 4.6119 7.6665 114.1595 52.3328 43.4859 175.6861 21 V 3.5106 7.7923 122.8970 65.4871 31.9059 176.6853 22 A 4.0560 8.0189 120.1905 55.1557 18.3606 179.6850 23 G 3.5694 8.3606 105.4986 47.7941 0.0000 175.7171 24 H 4.1839 8.2142 118.4834 58.2616 28.6119 178.1351 25 G 3.5660 8.3926 108.0323 47.8047 0.0000 175.7499 26 Q 3.8882 7.9518 120.5595 58.7625 28.7709 178.4886 27 D 4.2884 7.8111 119.5593 57.5515 40.8655 179.2144 28 I 3.6416 7.8177 120.0952 64.3481 37.0433 178.5865 29 L 3.4376 7.8166 119.8447 57.5861 41.3619 179.6416 30 I 3.6259 7.7451 120.0283 64.2914 37.0159 178.4901 31 R 3.8077 7.9776 119.6275 59.0287 29.7926 178.3091 32 L 3.8469 7.6213 120.1378 58.3475 42.1917 179.1374 33 F 4.4860 7.8000 117.7508 60.3896 38.5261 177.7318 34 K 4.1012 7.9140 117.4676 59.0614 32.0873 179.1335 35 S 4.2647 7.9338 114.7213 60.3000 64.2693 174.5765 36 H 4.7213 8.1394 118.2982 51.8113 29.7472 171.6015 37 P 4.6826 0.0000 0.0000 64.8542 31.5678 177.4827 38 E 4.4216 8.5215 117.3261 59.0974 29.3333 179.2271 39 T 3.8362 8.1322 110.8151 64.4926 68.7471 176.2346 40 L 3.6643 8.0610 123.1043 57.7773 41.8056 178.6358 41 E 4.1500 8.2343 117.8935 58.7568 29.1294 178.7304 42 K 4.4336 8.2210 117.1303 56.9826 33.0752 177.8266 43 F 4.6634 8.2690 119.5286 55.5451 38.3471 175.6162 44 D 4.4035 8.5319 123.7570 57.0081 41.0098 178.2224 45 R 3.9208 7.8495 117.1599 57.4834 30.5128 176.2988 46 F 4.9132 7.6978 113.3735 56.6616 40.8702 176.2598 47 K 3.9136 8.5132 122.8199 59.1782 32.0183 177.3108 48 H 4.4178 8.1777 112.8450 57.4390 29.0391 175.7436 49 L 3.9968 7.3705 120.8142 55.2999 41.6654 177.0130 50 K 4.2888 9.4186 123.6040 57.4669 33.3047 176.9719 51 T 4.7436 7.4404 107.6032 58.8978 73.3279 174.2571 52 E 3.9427 8.6283 120.7294 59.1124 29.7008 178.4887 53 A 3.9793 7.9209 120.5371 55.3263 18.3185 179.3549 54 E 3.9780 7.8616 115.3930 59.6028 29.8138 179.2588 55 M 4.2054 8.0487 118.8643 58.4452 31.8561 179.0078 56 K 4.0009 8.3617 117.4551 58.9684 32.2803 178.5277 57 A 4.4918 7.5985 118.6489 52.0772 19.0698 177.7369 58 S 4.2987 7.5858 112.5846 57.4777 62.9225 173.9625 59 E 3.9684 8.7944 131.0281 59.5408 29.5558 178.2513 60 D 4.5376 8.2141 118.5361 57.2961 40.9835 178.3275 61 L 3.1501 8.1340 121.0129 57.5669 41.9819 178.9240 62 K 3.8792 8.0107 119.7437 59.3717 32.1495 178.9566 63 K 3.9895 8.1152 118.8343 59.4166 31.9859 179.1064 64 L 4.1647 8.1744 120.7834 57.9905 41.9460 179.1681 65 G 3.6224 8.2058 105.8608 47.7605 0.0000 175.8426 66 V 3.6051 7.8025 120.6889 66.0524 31.6584 178.2400 67 T 3.9107 8.0479 115.4860 66.5933 68.3043 176.0257 68 N 4.3308 8.6948 119.2405 56.9716 39.0485 177.0518 69 L 4.2973 8.2603 120.3129 58.0479 41.7003 179.7804 70 T 4.0725 8.3015 115.8820 66.4489 68.4070 176.7382 71 A 4.0312 8.0599 122.7453 54.9697 18.3253 179.4925 72 L 3.7339 8.1441 119.1108 58.0038 42.1130 179.3263 73 G 3.2432 8.4816 105.9293 47.6990 0.0000 175.4982 74 A 3.9814 7.8104 122.1141 54.7850 18.6900 179.5934 75 I 3.7766 7.3713 117.8959 64.5577 37.2173 178.6543 76 L 3.9865 7.9198 120.1908 57.6806 41.1721 179.6516 77 K 3.9696 7.8017 117.0591 58.4816 32.2852 178.7247 78 K 3.9511 7.7467 117.9210 55.9372 32.6499 176.5668 79 K 2.0000 8.2169 118.4334 56.3397 29.8700 174.9208 80 G 3.9783 7.8218 105.6761 45.8641 0.0000 173.8129 81 H 4.6498 7.4857 118.5260 55.4831 27.8352 175.5071 82 H 5.5621 7.5600 112.8909 54.8188 29.5140 176.0615 83 E 3.9585 8.2859 122.1960 60.5086 28.9215 178.5722 84 A 4.0126 7.9152 120.0631 54.7637 18.4023 179.0072 85 E 4.0998 8.1333 116.6359 59.4590 29.6001 179.3057 86 L 4.2572 8.3443 119.0645 57.1601 41.6376 179.2625 87 K 3.9500 7.8092 119.2867 59.1348 32.0739 177.3693 88 P 4.3077 0.0000 0.0000 65.7326 31.2785 178.1388 89 L 4.0137 7.5753 120.2340 57.9617 42.0633 178.8292 90 A 4.1935 8.4460 121.1716 55.2148 18.3222 179.3917 91 Q 3.9344 8.2836 118.3461 59.3680 29.1199 178.6831 92 S 4.0620 8.2364 115.3450 61.8235 63.1351 176.0972 93 H 4.2323 8.7585 119.3747 57.7318 28.2392 177.5052 94 A 3.0211 7.9310 122.1698 54.4033 18.7612 178.9530 95 T 3.9436 7.5640 112.3722 64.7274 69.1504 175.9635 96 K 4.1258 7.4506 119.8888 58.6280 33.0798 177.2423 97 H 4.2194 7.9238 115.1244 56.5411 29.3826 175.7481 98 K 3.0937 7.4942 116.9732 57.0400 28.6075 175.8718 99 I 4.3147 8.1311 119.0290 58.7796 38.0612 174.9940 100 P 4.6333 0.0000 0.0000 62.2093 32.1187 177.4750 101 I 3.6870 8.5626 121.4021 64.5596 36.9682 178.5440 102 K 3.8725 7.8706 121.2487 59.1597 31.9278 178.1588 103 Y 4.3178 8.0580 116.6047 60.6748 37.8237 177.9390 104 L 4.2833 7.8705 119.6832 57.4954 41.8770 179.0445 105 E 4.0525 8.2718 119.0494 59.2183 29.3715 179.2077 106 F 4.6678 7.8326 117.7027 60.8670 38.9811 177.6436 107 I 3.8941 8.1883 117.9943 63.9186 37.7231 178.1375 108 S 4.2117 8.1806 116.5569 61.4559 62.6645 176.0883 109 E 4.0329 8.5788 122.0484 59.2013 29.3981 178.7813 110 A 4.0276 8.0974 120.8964 55.1734 18.4508 179.6622 111 I 3.6954 8.0502 118.4661 64.6841 37.1550 178.7985 112 I 3.8610 7.9221 120.6864 64.5460 36.9200 177.9996 113 H 4.1314 8.4452 119.1879 59.2807 29.6761 177.5928 114 V 3.5318 7.9277 120.0392 65.9775 31.2937 178.0524 115 L 3.7836 7.8294 118.8068 57.7764 41.0107 178.9473 116 H 4.4457 8.0253 117.6079 59.3691 29.8766 177.3341 117 S 4.1800 7.7433 116.0019 61.6458 62.8690 176.4801 118 R 4.0344 8.0591 119.5139 57.6183 31.0880 176.6255 119 H 5.0585 8.2769 115.6764 53.9043 29.1917 173.2771 120 P 4.2888 0.0000 0.0000 65.6367 31.6174 178.4629 121 G 3.7705 8.1037 106.8178 47.8141 0.0000 173.7519 122 N 5.1306 8.4637 114.9162 52.7562 40.7368 174.5588 123 F 4.9099 8.0560 118.2527 56.4825 39.6632 174.3266 124 G 3.9198 7.6577 108.8469 43.8642 0.0000 171.8363 125 A 3.8933 8.4478 120.7746 55.5125 18.3435 179.7467 126 D 4.1984 7.9763 116.4709 57.4525 40.9371 178.7827 127 A 3.9191 7.7612 120.7796 55.1040 18.3463 179.3118 128 Q 2.9306 7.8423 118.4415 58.7366 29.0118 178.6176 129 G 3.5006 8.0520 106.6803 47.6511 0.0000 175.5291 130 A 3.8562 7.9003 123.2358 55.0553 18.3325 179.4376 131 M 4.0321 8.1676 116.8089 58.7417 32.2869 177.9127 132 N 4.3091 8.5062 117.6507 56.6026 39.1283 176.7541 133 K 3.8656 8.1547 120.8233 59.3586 32.2321 178.7096 134 A 3.8356 7.8534 121.1233 55.0857 18.2106 179.6559 135 L 4.1550 8.2608 117.6854 57.8249 41.6182 179.5340 136 E 3.9956 8.6608 119.2518 59.0683 29.2499 179.1254 137 L 3.9461 7.9769 120.5765 57.9532 42.1298 178.5615 138 F 4.1789 8.3999 120.6319 61.7267 39.2863 177.4389 139 R 3.3868 8.3128 117.7413 58.6734 29.7546 179.0933 140 K 3.8248 8.1996 119.7856 59.6693 32.2692 178.7556 141 D 4.3274 8.2509 119.4087 57.2634 40.6893 178.8354 142 I 3.3832 7.5959 120.4131 64.0462 36.9713 178.2877 143 A 3.7359 7.8339 121.5181 54.9799 18.2973 179.5181 144 A 3.9485 7.8523 119.2583 55.2385 18.3931 180.0936 145 K 3.9841 8.0620 117.0096 59.6748 32.0468 178.9732 146 Y 4.4887 8.4414 117.5654 61.3156 37.9768 178.8821 147 K 3.9467 8.2603 120.1963 59.6980 32.0896 178.7101 148 E 4.0525 7.9035 117.3988 59.1156 29.4566 178.6619 149 L 4.3355 7.9848 117.2578 55.3838 41.9334 177.8541 150 G 3.9433 7.9323 106.9312 45.5674 0.0000 172.9016 151 Y 4.4202 8.0268 118.4675 58.4892 40.6555 176.1865 152 Q 3.3702 7.9246 117.7810 56.9689 27.6283 173.5831 153 G 2.9339 6.5599 110.9340 45.6304 0.0000 172.8734 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 0 M 8.30 4.43 0.00 2.13 2.12 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 2.47 2.54 0.00 1 V 7.98 4.19 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 0.84 0.00 0.00 0.95 0.00 0.00 2 L 8.30 4.21 0.00 0.92 0.70 0.63 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.67 4.60 0.00 4.05 3.97 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 4 E 8.78 4.31 0.00 2.20 2.06 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 2.43 2.51 0.00 5 G 8.11 3.64 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 0.00 0.00 0.00 6 E 8.17 3.94 0.00 1.89 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 2.22 2.25 0.00 7 W 8.17 4.36 0.00 3.60 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 8 Q 8.61 4.24 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.79 0.00 9 L 7.82 4.09 0.00 1.87 1.74 0.88 1.05 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 10 V 7.85 3.78 2.50 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 1.19 0.00 0.00 0.94 0.00 0.00 11 L 8.63 4.28 0.00 1.82 1.82 0.96 0.94 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 12 H 8.37 4.29 0.00 3.49 3.54 0.00 5.77 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.84 3.83 2.50 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 1.07 0.00 0.00 0.89 0.00 0.00 14 W 8.48 3.89 0.00 3.69 3.19 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 15 A 7.85 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 16 K 7.74 3.95 0.00 1.45 1.60 0.00 1.63 0.00 0.00 1.51 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.42 7.81 17 V 7.12 2.74 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 0.00 0.00 0.06 0.00 0.00 0.23 0.00 0.00 18 E 7.63 4.02 0.00 2.04 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 2.24 2.34 0.00 19 A 7.65 4.18 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 20 D 7.67 4.61 0.00 2.73 2.50 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 21 V 7.79 3.51 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 1.04 0.00 0.00 0.89 0.00 0.00 22 A 8.02 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 23 G 8.36 3.57 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 0.00 24 H 8.21 4.18 0.00 3.23 3.20 0.00 5.82 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 25 G 8.39 3.57 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 0.00 26 Q 7.95 3.89 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 27 D 7.81 4.29 0.00 2.85 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 28 I 7.82 3.64 1.86 0.00 0.00 0.83 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 0.66 0.88 0.00 0.00 29 L 7.82 3.44 0.00 1.38 1.03 0.74 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.75 3.63 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.64 0.88 0.00 0.00 31 R 7.98 3.81 0.00 1.86 2.12 0.00 3.01 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 32 L 7.62 3.85 0.00 1.69 1.33 1.03 0.85 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 33 F 7.80 4.49 0.00 3.01 2.87 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 34 K 7.91 4.10 0.00 1.69 1.82 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.72 7.81 35 S 7.93 4.26 0.00 3.72 3.54 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 36 H 8.14 4.72 0.00 2.79 2.62 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.68 0.00 2.14 2.12 0.00 3.82 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 38 E 8.52 4.42 0.00 2.32 2.31 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 2.27 2.39 0.00 39 T 8.13 3.84 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 0.82 0.00 0.00 40 L 8.06 3.66 0.00 1.21 1.70 -0.10 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.23 4.15 0.00 2.35 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 0.00 2.37 2.41 0.00 42 K 8.22 4.43 0.00 1.95 1.74 0.00 1.91 0.00 0.00 1.78 0.00 0.00 3.15 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.80 1.97 7.81 43 F 8.27 4.66 0.00 3.30 3.37 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 44 D 8.53 4.40 0.00 2.65 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 45 R 7.85 3.92 0.00 1.52 0.85 0.00 3.06 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.43 0.00 46 F 7.70 4.91 0.00 3.03 2.85 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 47 K 8.51 3.91 0.00 1.86 1.91 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.46 7.81 48 H 8.18 4.42 0.00 3.31 3.40 0.00 5.60 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.37 4.00 0.00 1.54 1.60 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.42 4.29 0.00 1.75 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.50 7.81 51 T 7.44 4.74 4.23 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 1.20 0.00 0.00 52 E 8.63 3.94 0.00 2.05 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 2.36 2.36 0.00 53 A 7.92 3.98 1.32 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 0.00 0.00 0.00 54 E 7.86 3.98 0.00 2.10 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 2.35 2.34 0.00 55 M 8.05 4.21 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.59 0.00 56 K 8.36 4.00 0.00 1.81 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.62 7.81 57 A 7.60 4.49 1.37 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 0.00 0.00 58 S 7.59 4.30 0.00 4.08 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 59 E 8.79 3.97 0.00 2.15 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 2.41 2.50 0.00 60 D 8.21 4.54 0.00 3.20 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 61 L 8.13 3.15 0.00 1.34 1.65 0.90 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.01 3.88 0.00 1.86 1.98 0.00 1.85 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.45 7.81 63 K 8.12 3.99 0.00 2.07 1.90 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.84 1.65 7.81 64 L 8.17 4.16 0.00 1.88 1.71 1.10 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.21 3.62 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 0.00 0.00 0.00 66 V 7.80 3.61 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 1.05 0.00 0.00 0.97 0.00 0.00 67 T 8.05 3.91 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 1.28 0.00 0.00 68 N 8.69 4.33 0.00 2.86 3.07 0.00 0.00 7.26 6.62 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 69 L 8.26 4.30 0.00 1.81 1.93 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.30 4.07 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 1.26 0.00 0.00 71 A 8.06 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 72 L 8.14 3.73 0.00 1.61 1.75 0.26 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.48 3.24 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 0.00 74 A 7.81 3.98 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 75 I 7.37 3.78 1.85 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 1.52 1.00 0.90 0.00 0.00 76 L 7.92 3.99 0.00 1.36 1.58 -0.10 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.80 3.97 0.00 1.77 1.79 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.56 7.81 78 K 7.75 3.95 0.00 1.85 1.78 0.00 1.73 0.00 0.00 1.59 0.00 0.00 3.08 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.64 1.76 7.81 79 K 8.22 2.00 0.00 1.19 0.74 0.00 1.48 0.00 0.00 1.42 0.00 0.00 2.73 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.43 0.80 7.81 80 G 7.82 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 81 H 7.49 4.65 0.00 3.12 3.37 0.00 5.83 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.56 5.56 0.00 3.35 3.47 0.00 5.66 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.29 3.96 0.00 2.20 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 2.38 2.35 0.00 84 A 7.92 4.01 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 85 E 8.13 4.10 0.00 2.24 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 2.39 2.46 0.00 86 L 8.34 4.26 0.00 1.87 1.71 0.97 0.94 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 87 K 7.81 3.95 0.00 1.94 1.89 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.65 7.81 88 P 0.00 4.31 0.00 2.30 2.34 0.00 3.94 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.05 0.00 89 L 7.58 4.01 0.00 1.99 1.77 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.45 4.19 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 3.93 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 92 S 8.24 4.06 0.00 4.04 4.13 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 0.00 0.00 0.00 93 H 8.76 4.23 0.00 3.60 3.65 0.00 5.80 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 94 A 7.93 3.02 1.08 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 0.00 0.00 95 T 7.56 3.94 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 1.11 0.00 0.00 96 K 7.45 4.13 0.00 1.54 1.66 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.19 1.34 7.81 97 H 7.92 4.22 0.00 3.05 3.16 0.00 5.86 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.49 3.09 0.00 1.75 1.71 0.00 1.34 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.19 1.07 7.81 99 I 8.13 4.31 2.15 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 1.43 0.98 1.18 0.00 0.00 100 P 0.00 4.63 0.00 2.00 2.00 0.00 3.33 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.18 0.00 101 I 8.56 3.69 1.81 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.74 0.87 0.00 0.00 102 K 7.87 3.87 0.00 1.72 1.67 0.00 1.52 0.00 0.00 1.68 0.00 0.00 3.16 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 0.77 7.81 103 Y 8.06 4.32 0.00 3.28 3.13 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 0.00 0.00 0.00 104 L 7.87 4.28 0.00 1.87 1.81 0.73 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.27 4.05 0.00 2.00 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 2.30 2.51 0.00 106 F 7.83 4.67 0.00 3.28 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 0.00 107 I 8.19 3.89 2.03 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 1.10 0.00 0.00 108 S 8.18 4.21 0.00 4.23 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 0.00 109 E 8.58 4.03 0.00 2.17 2.33 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 2.38 2.42 0.00 110 A 8.10 4.03 1.42 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 0.00 0.00 111 I 8.05 3.70 2.11 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 1.83 1.03 1.06 0.00 0.00 112 I 7.92 3.86 2.13 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.77 1.14 0.00 0.00 113 H 8.45 4.13 0.00 3.39 3.49 0.00 5.78 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 0.00 114 V 7.93 3.53 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 0.94 0.00 0.00 0.94 0.00 0.00 115 L 7.83 3.78 0.00 0.49 0.36 0.77 0.65 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 0.00 116 H 8.03 4.45 0.00 3.46 3.60 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.74 4.18 0.00 3.93 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 0.00 118 R 8.06 4.03 0.00 1.53 1.62 0.00 3.11 0.00 0.00 2.99 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 119 H 8.28 5.06 0.00 3.20 3.21 0.00 5.63 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.29 0.00 2.17 2.17 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 121 G 8.10 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 0.00 122 N 8.46 5.13 0.00 2.71 2.86 0.00 0.00 6.66 7.94 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 0.00 123 F 8.06 4.91 0.00 2.99 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 0.00 124 G 7.66 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 0.00 0.00 0.00 125 A 8.45 3.89 1.28 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 0.00 0.00 0.00 126 D 7.98 4.20 0.00 2.65 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 0.00 127 A 7.76 3.92 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 0.00 128 Q 7.84 2.93 0.00 1.35 1.91 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 2.23 2.21 0.00 129 G 8.05 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 0.00 0.00 0.00 0.00 130 A 7.90 3.86 1.32 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 0.00 0.00 0.00 131 M 8.17 4.03 0.00 2.53 2.42 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.93 0.00 132 N 8.51 4.31 0.00 2.87 2.93 0.00 0.00 6.86 6.80 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 0.00 133 K 8.15 3.87 0.00 1.90 1.73 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.36 7.81 134 A 7.85 3.84 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 0.00 135 L 8.26 4.16 0.00 1.77 1.84 1.01 0.94 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 0.00 136 E 8.66 4.00 0.00 2.12 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 2.34 2.71 0.00 137 L 7.98 3.95 0.00 1.91 1.99 0.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.40 4.18 0.00 3.13 3.28 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 0.00 139 R 8.31 3.39 0.00 1.81 1.82 0.00 3.17 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.01 0.00 140 K 8.20 3.82 0.00 1.90 1.91 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.44 7.81 141 D 8.25 4.33 0.00 2.67 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 0.00 142 I 7.60 3.38 1.19 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 -0.36 -0.02 0.00 0.00 143 A 7.83 3.74 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 0.00 144 A 7.85 3.95 1.37 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 0.00 0.00 145 K 8.06 3.98 0.00 1.92 1.93 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.62 7.81 146 Y 8.44 4.49 0.00 3.05 3.07 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 0.00 147 K 8.26 3.95 0.00 2.19 2.01 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 148 E 7.90 4.05 0.00 2.23 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 2.36 2.51 0.00 149 L 7.98 4.34 0.00 1.85 1.74 1.03 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.93 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 0.00 0.00 0.00 151 Y 8.03 4.42 0.00 2.58 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 0.00 152 Q 7.92 3.37 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 153 G 6.56 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 0.00 0.00 0.00