NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 A 4.2548 8.2531 123.5772 52.2141 20.5622 176.9674 16 G 3.9569 7.9856 100.8592 45.9796 0.0000 173.2708 17 I 3.9322 7.9903 121.3207 63.7420 38.4933 175.3268 18 T 4.0206 7.6700 116.9088 63.1562 69.2470 174.4612 19 G 3.4943 7.5088 113.0302 45.0326 0.0000 171.2946 20 T 4.6817 7.5617 117.7605 61.5276 70.5889 174.3428 21 W 4.7024 8.4289 124.8240 54.8595 33.3811 173.9616 22 Y 5.4071 9.2091 119.9717 56.4062 41.2821 174.9046 23 N 5.6037 9.1369 120.3991 50.4428 40.2482 175.3449 24 Q 4.2235 8.6787 115.3680 57.7992 29.1109 176.6432 25 L 4.2059 8.0207 117.4478 55.5053 42.4096 177.3357 26 G 4.0696 8.3383 107.5861 45.1698 0.0000 173.3555 27 S 5.1219 8.7319 115.9125 57.7808 65.1547 173.3357 28 T 5.0690 8.6184 118.0211 61.7193 72.4834 173.1581 29 F 5.1556 8.7687 119.7326 55.0918 41.7167 173.4340 30 I 4.8918 8.7244 122.9385 59.5433 39.3930 175.0399 31 V 4.8982 8.7542 126.0735 60.1124 35.3261 174.4796 32 T 4.7929 8.9451 118.6508 61.7514 71.4163 172.8356 33 A 4.7575 8.6760 128.7939 50.5804 20.2230 177.1023 34 G 4.0688 9.5785 110.6162 44.7779 0.0000 174.8333 35 A 4.2174 8.6880 123.5465 55.0076 18.5116 178.5816 36 D 4.4422 7.9877 112.4467 54.0657 39.8685 177.0325 37 G 3.3396 8.1570 108.6448 44.7859 0.0000 173.2812 38 A 4.8351 8.1297 122.0411 51.3726 20.4751 176.5367 39 L 5.2585 8.8577 120.4298 53.1251 44.9955 175.9548 40 T 4.9011 8.9779 113.2874 59.7679 72.6596 174.4982 41 G 3.7200 7.2486 108.3315 46.4772 0.0000 171.2936 42 T 5.1517 7.7890 115.3571 61.9933 73.0741 172.4761 43 Y 4.8848 9.4018 126.8973 56.0529 41.2884 174.2814 44 I 5.0640 8.7123 127.3866 59.3103 40.2341 175.6809 45 G 4.3996 9.4326 114.9249 45.7010 0.0000 173.6861 46 A 4.7068 8.8794 122.2176 54.4092 18.3842 179.2840 47 R 3.8969 8.1369 115.7556 57.6583 30.2401 178.3246 48 G 3.8358 8.1865 104.4440 45.3685 0.0000 172.9663 49 N 4.6782 7.3885 117.4285 51.0307 39.1725 175.8800 50 A 3.9182 8.2959 120.0370 55.3182 18.3693 179.1907 51 E 4.0674 7.8745 112.9941 58.2480 29.8541 177.3129 52 S 4.9928 8.2267 114.9049 58.3208 64.3527 173.3829 53 R 5.1553 7.5209 119.8892 55.1874 31.4001 175.5965 54 Y 4.8569 8.8930 119.9272 56.2404 42.7983 174.8133 55 V 4.3683 8.5466 122.6229 62.8048 32.6368 175.0684 56 L 5.1151 8.7388 125.9195 54.3948 43.9114 175.1587 57 T 4.8919 8.4701 114.0662 61.3152 71.5101 173.3371 58 G 4.4696 8.5689 111.8283 46.4658 0.0000 172.0904 59 R 5.9762 8.8276 117.3851 54.2222 34.8373 174.1259 60 Y 5.2572 8.1077 117.9646 55.4842 41.4431 174.3291 61 D 4.2996 8.9799 121.0030 54.2525 40.6380 176.7599 62 S 4.3850 8.1535 120.5684 58.8857 63.9214 174.6172 63 A 4.6590 8.1384 123.5413 50.1618 18.6077 173.5834 64 P 4.7946 0.0000 0.0000 60.6958 32.8095 177.0788 65 A 4.2373 8.3541 121.8425 52.7801 18.7489 177.3637 66 T 4.5767 8.3330 108.3277 61.6246 69.0249 174.4273 67 D 4.6153 8.0862 119.3870 53.8670 39.5865 177.1049 68 G 4.0317 8.2632 108.3118 45.4681 0.0000 174.5672 69 S 4.2174 8.2107 115.9983 58.5259 63.2918 174.2971 70 G 4.0214 8.2964 110.3059 45.9051 0.0000 172.6551 71 T 4.8067 8.9291 116.8157 61.6758 70.1819 174.8589 72 A 4.8187 8.7169 129.2404 52.1545 20.1386 175.8547 73 L 4.7908 8.9414 120.3460 55.6920 44.6423 173.6991 74 G 4.5986 9.0551 104.5981 45.6633 0.0000 172.3455 75 W 5.7116 8.3870 117.0581 55.6370 32.3462 173.4280 76 T 5.1875 9.2526 116.9625 61.8067 72.1310 173.2124 77 V 4.6134 8.6795 124.5056 60.9248 34.2496 173.8967 78 A 4.5813 8.2347 129.5701 49.5715 20.3542 177.4526 79 W 4.2881 8.5787 125.3044 56.6101 28.9514 176.3479 80 K 5.3173 7.9995 118.1340 54.7080 35.3127 174.6473 81 N 4.9151 9.0186 124.1000 52.3769 38.8293 173.9505 82 N 4.4565 8.4711 113.8816 54.2321 39.1414 174.8510 83 Y 4.6753 7.9135 115.4585 58.1427 40.1680 175.6616 84 R 4.5321 7.5522 113.6473 55.4523 31.6901 173.3898 85 N 5.1645 8.5775 116.7833 52.3960 40.7952 173.7563 86 A 4.3188 9.1956 128.7092 51.7190 20.0520 176.1676 87 H 4.1522 8.8500 114.0370 55.9156 26.8207 173.1847 88 S 5.0768 7.3865 111.6602 57.9037 66.8934 174.6892 89 A 5.0121 9.1282 121.2723 50.8390 22.7982 175.2523 90 T 5.0352 8.7255 118.1497 61.7545 71.8718 173.4032 91 T 4.9383 8.4238 115.2400 59.6237 72.0908 172.7056 92 W 5.0380 8.5923 124.2193 54.8698 31.7652 174.6967 93 S 4.8419 8.7704 119.5462 56.7397 65.0210 173.4162 94 G 4.6696 8.3492 112.2832 46.5922 0.0000 171.5361 95 Q 5.2655 8.3084 117.0024 54.8089 32.4033 173.5017 96 Y 4.7495 9.1374 123.6372 56.8650 40.8067 174.2379 97 V 4.1295 8.5530 126.1554 60.9599 34.2596 175.5037 98 G 3.8203 8.1033 115.8113 45.0173 0.0000 169.8551 99 G 3.8251 8.7902 104.2837 43.6680 0.0000 173.5912 100 A 4.0961 8.6588 121.2790 54.4580 18.9136 178.2868 101 E 4.6367 7.7076 114.0333 54.6732 29.1594 175.6329 102 A 4.5855 7.6198 121.3308 52.4944 19.9254 178.0819 103 R 5.2238 9.2093 116.1815 55.3176 33.7731 174.0038 104 I 4.9167 9.0584 121.4478 59.8945 39.8656 174.3863 105 N 5.3462 9.1553 126.1862 52.1795 40.1970 174.7183 106 T 5.3138 9.3822 113.6454 60.1233 73.1524 172.6478 107 Q 5.1346 9.0431 120.5622 53.8432 32.5731 174.8538 108 W 5.3813 8.5219 118.6677 54.6270 32.2993 173.8231 109 L 5.2348 8.6268 120.5650 52.9048 44.7695 175.1550 110 L 4.9923 9.3078 126.2554 53.6337 44.6402 174.9048 111 T 5.1821 9.0234 123.7243 61.9561 71.0841 173.6554 112 S 5.0944 8.8304 122.5672 56.4367 65.4641 174.2948 113 G 3.8936 8.6028 111.5028 46.4506 0.0000 173.1206 114 T 4.7801 8.2755 113.9773 59.5090 72.4630 173.2659 115 T 4.4141 8.0212 111.7228 60.9373 69.8785 175.3798 116 E 3.9299 8.8022 121.1831 59.5336 29.6724 179.6939 117 A 4.0777 8.0815 120.3877 54.7529 18.8285 177.6152 118 N 4.7660 8.0589 111.4966 53.0315 38.9277 176.9205 119 A 4.2746 8.0752 124.2001 54.0262 18.6140 180.7244 120 W 4.3149 8.3047 112.6231 58.6873 28.2075 176.7876 121 K 4.2295 6.5485 117.5321 56.2048 32.3039 177.5965 122 S 4.1769 7.8677 117.3034 61.0890 63.5519 173.5121 123 T 5.0572 7.5853 116.6126 61.6599 71.0656 173.7434 124 L 4.7096 8.7836 127.1180 53.7355 43.7318 176.3003 125 V 4.4345 7.7527 120.3143 60.3740 34.6574 175.1602 126 G 3.1421 6.2016 107.3528 45.8665 0.0000 171.4240 127 H 5.4204 8.1071 113.7934 54.1056 31.8062 172.3385 128 D 5.0237 9.3104 118.5347 53.1891 45.1780 173.8622 129 T 5.2276 8.4958 119.8380 61.8261 71.9792 172.7301 130 F 5.4692 9.5729 125.0732 55.9847 42.1747 174.6506 131 T 5.4067 9.2020 112.3090 59.9427 72.0443 174.9178 132 K 3.6968 8.7619 120.1298 57.4623 32.5896 177.6956 133 V 4.4277 7.3586 111.3155 58.7330 34.2561 175.7025 134 K 3.7036 8.0998 120.8645 56.8569 31.7525 176.9259 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 15 A 8.25 4.25 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.99 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.99 3.93 1.36 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 -0.36 0.58 0.00 0.00 18 T 7.67 4.02 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 1.15 0.00 0.00 19 G 7.51 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.56 4.68 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 0.64 0.00 0.00 21 W 8.43 4.70 0.00 1.78 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 22 Y 9.21 5.41 0.00 2.90 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 23 N 9.14 5.60 0.00 2.71 2.46 0.00 0.00 6.64 7.17 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 24 Q 8.68 4.22 0.00 2.23 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.04 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 25 L 8.02 4.21 0.00 1.75 1.82 1.02 1.06 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 26 G 8.34 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.73 5.12 0.00 4.16 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 28 T 8.62 5.07 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 0.93 0.00 0.00 29 F 8.77 5.16 0.00 2.73 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.72 4.89 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.51 0.84 0.00 0.00 31 V 8.75 4.90 1.92 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 0.75 0.00 0.00 0.72 0.00 0.00 32 T 8.95 4.79 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 1.18 0.00 0.00 33 A 8.68 4.76 0.64 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 34 G 9.58 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.69 4.22 1.31 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 0.00 0.00 0.00 36 D 7.99 4.44 0.00 2.78 2.79 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 37 G 8.16 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.13 4.84 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 39 L 8.86 5.26 0.00 1.60 1.45 1.09 0.40 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 40 T 8.98 4.90 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 1.21 0.00 0.00 41 G 7.25 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 42 T 7.79 5.15 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 43 Y 9.40 4.88 0.00 2.89 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 44 I 8.71 5.06 1.87 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 1.21 0.60 0.98 0.00 0.00 45 G 9.43 4.40 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 0.00 46 A 8.88 4.71 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 47 R 8.14 3.90 0.00 1.95 2.00 0.00 3.32 0.00 0.00 3.36 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 48 G 8.19 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 0.00 0.00 0.00 49 N 7.39 4.68 0.00 2.95 2.95 0.00 0.00 6.78 6.92 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 50 A 8.30 3.92 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 51 E 7.87 4.07 0.00 1.88 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 0.00 2.18 1.85 0.00 52 S 8.23 4.99 0.00 4.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.52 5.16 0.00 1.61 1.87 0.00 3.13 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 54 Y 8.89 4.86 0.00 2.93 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.55 4.37 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 0.78 0.00 0.00 0.94 0.00 0.00 56 L 8.74 5.12 0.00 1.87 1.61 0.56 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.47 4.89 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 1.23 0.00 0.00 58 G 8.57 4.47 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 0.00 59 R 8.83 5.98 0.00 1.75 1.78 0.00 3.32 0.00 0.00 3.33 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 60 Y 8.11 5.26 0.00 2.94 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 61 D 8.98 4.30 0.00 2.82 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 62 S 8.15 4.38 0.00 3.91 3.41 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 0.00 0.00 0.00 0.00 63 A 8.14 4.66 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 64 P 0.00 4.79 0.00 2.27 2.18 0.00 3.45 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 65 A 8.35 4.24 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 66 T 8.33 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 1.24 0.00 0.00 67 D 8.09 4.62 0.00 2.80 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 68 G 8.26 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 0.00 0.00 0.00 69 S 8.21 4.22 0.00 3.90 3.85 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 70 G 8.30 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.93 4.81 4.56 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 1.45 0.00 0.00 72 A 8.72 4.82 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 73 L 8.94 4.79 0.00 2.07 1.96 1.26 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.06 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 W 8.39 5.71 0.00 3.40 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 76 T 9.25 5.19 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 1.16 0.00 0.00 77 V 8.68 4.61 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 -0.46 0.00 0.00 0.72 0.00 0.00 78 A 8.23 4.58 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 79 W 8.58 4.29 0.00 3.39 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 80 K 8.00 5.32 0.00 1.89 1.71 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.43 7.81 81 N 9.02 4.92 0.00 2.64 2.54 0.00 0.00 6.98 7.84 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 82 N 8.47 4.46 0.00 1.96 2.11 0.00 0.00 6.59 7.46 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 83 Y 7.91 4.68 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.55 4.53 0.00 2.04 2.07 0.00 3.05 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 85 N 8.58 5.16 0.00 2.64 2.61 0.00 0.00 6.93 7.96 0.00 0.00 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 A 9.20 4.32 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.85 4.15 0.00 3.29 3.30 0.00 5.66 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 88 S 7.39 5.08 0.00 3.99 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 89 A 9.13 5.01 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 90 T 8.73 5.04 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 -0.34 0.00 0.00 91 T 8.42 4.94 4.15 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 0.00 0.00 0.00 1.15 0.00 0.00 92 W 8.59 5.04 0.00 1.78 2.18 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 93 S 8.77 4.84 0.00 3.80 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 94 G 8.35 4.67 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 0.00 0.00 0.00 95 Q 8.31 5.27 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 96 Y 9.14 4.75 0.00 3.05 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 97 V 8.55 4.13 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 0.92 0.00 0.00 0.96 0.00 0.00 98 G 8.10 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 0.00 0.00 0.00 99 G 8.79 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.66 4.10 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 0.00 101 E 7.71 4.64 0.00 1.96 1.92 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 2.22 2.22 0.00 102 A 7.62 4.59 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 0.00 103 R 9.21 5.22 0.00 2.09 2.15 0.00 2.77 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 104 I 9.06 4.92 1.96 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 -0.23 1.13 0.00 0.00 105 N 9.16 5.35 0.00 2.76 2.82 0.00 0.00 6.09 6.64 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 0.00 106 T 9.38 5.31 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 1.55 0.00 0.00 107 Q 9.04 5.13 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.74 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 108 W 8.52 5.38 0.00 2.65 2.34 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 0.00 109 L 8.63 5.23 0.00 1.54 1.54 0.87 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.31 4.99 0.00 1.60 1.63 0.60 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 111 T 9.02 5.18 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 1.19 0.00 0.00 112 S 8.83 5.09 0.00 3.64 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.60 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 0.00 114 T 8.28 4.78 4.14 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 1.16 0.00 0.00 115 T 8.02 4.41 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 1.20 0.00 0.00 116 E 8.80 3.93 0.00 2.06 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 2.41 2.32 0.00 117 A 8.08 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 0.00 118 N 8.06 4.77 0.00 2.68 2.56 0.00 0.00 6.82 7.21 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 0.00 119 A 8.08 4.27 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 0.00 120 W 8.30 4.31 0.00 3.53 3.21 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 0.00 121 K 6.55 4.23 0.00 1.13 0.74 0.00 1.04 0.00 0.00 0.61 0.00 0.00 2.77 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.66 0.79 7.81 122 S 7.87 4.18 0.00 4.12 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.59 5.06 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 1.19 0.00 0.00 124 L 8.78 4.71 0.00 1.86 1.75 0.96 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.75 4.43 1.91 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 0.55 0.00 0.00 0.68 0.00 0.00 126 G 6.20 3.14 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 0.00 127 H 8.11 5.42 0.00 3.16 3.13 0.00 5.69 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 0.00 128 D 9.31 5.02 0.00 3.23 2.46 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 0.00 129 T 8.50 5.23 4.30 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 1.33 0.00 0.00 130 F 9.57 5.47 0.00 3.10 3.16 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 0.00 131 T 9.20 5.41 4.37 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 1.37 0.00 0.00 132 K 8.76 3.70 0.00 1.56 1.61 0.00 1.46 0.00 0.00 1.33 0.00 0.00 2.13 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.30 0.44 7.81 133 V 7.36 4.43 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 0.69 0.00 0.00 0.92 0.00 0.00 134 K 8.10 3.70 0.00 1.45 1.45 0.00 1.43 0.00 0.00 1.48 0.00 0.00 2.90 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.30 0.58 7.81