NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3829 8.2649 123.6012 51.9530 20.7378 177.3701 2 S 4.3544 7.8815 110.5475 56.0339 63.8312 171.5200 3 I 3.9387 8.3497 116.9920 57.7067 41.5873 172.7776 4 P 4.0035 0.0000 0.0000 62.7679 31.5417 177.0061 5 S 4.3049 8.5343 116.9651 61.0383 62.6375 174.7141 6 S 4.7213 7.8131 109.1929 58.6102 67.5507 174.4139 7 A 4.2027 8.0375 123.3891 52.6460 18.7930 177.4384 8 S 4.4581 8.6390 116.7907 60.8669 64.1952 174.6902 9 V 5.0881 7.6874 117.6807 60.5084 34.1300 174.0750 10 Q 5.0394 9.2618 123.7066 54.6052 33.0962 173.0204 11 L 4.4444 9.8718 129.2701 55.8536 42.0823 175.9848 12 D 4.6943 9.0639 127.2807 56.2690 41.4326 175.8605 13 S 4.8894 8.3865 111.5101 57.8437 66.6725 172.2403 14 Y 5.2761 8.1366 117.5290 56.1538 40.9286 173.4666 15 N 5.0604 9.2290 118.4109 52.6661 43.0617 172.6179 16 Y 5.5460 8.6591 124.6383 56.0982 41.8314 174.4698 17 D 4.3797 7.7940 125.5904 54.7042 42.3657 176.1753 18 G 3.7670 6.3112 107.6926 46.0933 0.0000 175.1336 19 S 4.3005 7.7656 115.2592 60.5909 63.6725 173.9868 20 T 5.1520 7.2436 115.5006 61.6822 72.7293 172.3156 21 F 5.9203 9.0703 128.5464 56.8487 41.5885 174.6743 22 S 4.3384 9.1604 120.0206 56.1914 67.4525 172.6606 23 G 3.7279 6.1499 105.7493 46.1170 0.0000 171.1843 24 K 5.2265 8.5514 119.9075 54.7743 36.2339 175.3345 25 I 5.0692 8.5265 124.2565 59.8499 42.1081 173.7891 26 Y 5.1096 9.5846 124.3872 57.2270 39.5189 174.7204 27 V 4.6771 9.3466 124.4894 60.7295 34.7207 174.2048 28 K 3.8332 9.1921 130.3871 55.7850 32.4564 177.4129 29 N 4.8648 8.4086 128.9619 53.3311 35.8064 174.2314 30 I 3.9914 8.0650 112.4913 62.1852 38.8885 176.8522 31 A 4.7776 7.5532 120.7217 50.2471 22.3086 175.2926 32 Y 4.2494 8.7438 120.3345 60.7697 39.0415 176.3808 33 S 3.6750 7.6049 113.9949 57.4567 62.7532 172.9076 34 K 5.0121 8.3334 125.9300 54.7167 36.3815 176.1845 35 K 4.3644 8.6991 123.0999 55.5630 35.1003 174.6887 36 V 4.8606 8.1447 128.1400 61.1419 34.0367 174.3121 37 T 5.1177 9.0574 117.3320 60.0592 73.0429 172.5648 38 V 4.7017 8.7113 122.8766 60.9612 34.1482 174.5585 39 V 4.9461 8.4797 127.7333 60.1403 33.4946 174.3842 40 Y 5.3622 8.3925 123.2562 55.2159 40.9567 174.7051 41 A 4.1122 8.6934 122.3643 49.5186 21.7131 176.0475 42 D 4.5707 8.8866 121.1619 54.1646 42.3060 178.1972 43 G 3.8258 8.7727 109.4752 47.4346 0.0000 174.5015 44 S 4.4756 7.8037 114.1921 57.6053 63.6119 173.0002 45 D 4.1102 8.1344 118.8807 55.4510 39.5346 172.9376 46 N 4.9390 7.6432 115.8712 51.5397 40.8348 174.6582 47 W 3.9805 8.8644 123.9563 56.7905 30.2408 175.5356 48 N 3.8768 8.4749 117.2112 56.0496 37.5916 173.1227 49 N 4.0869 9.1642 110.0197 55.0913 37.5938 173.0416 50 N 4.5089 8.1799 108.4866 54.4426 37.2423 176.3788 51 G 3.7387 8.2952 108.4213 47.1522 0.0000 174.7760 52 N 4.4836 7.7864 117.9558 52.2603 38.0053 173.8820 53 I 5.0123 7.9931 123.1296 59.4053 40.7877 175.2682 54 I 4.5891 8.6792 124.5904 59.4954 40.9401 173.9072 55 A 4.5734 8.8810 132.0748 51.9514 18.9903 176.5126 56 A 5.0868 8.6971 124.6999 50.7163 21.8293 175.7295 57 S 4.8494 8.9326 112.5448 56.4760 67.1514 173.3685 58 F 3.0960 7.5702 123.4484 58.2332 38.9971 174.0256 59 S 4.2642 7.6160 120.5061 58.9211 64.8271 174.5907 60 G 3.8009 6.3890 104.6686 44.1711 0.0000 171.1360 61 P 4.9270 0.0000 0.0000 62.4208 33.0620 175.7359 62 I 4.3479 8.0232 121.7115 59.1984 38.5851 175.8203 63 S 4.0972 8.6781 122.4311 59.8450 63.1885 174.8284 64 G 3.9363 10.2421 110.6157 45.6626 0.0000 172.4776 65 S 4.6372 7.6417 112.8402 57.5026 66.2079 172.9255 66 N 5.0088 8.6520 116.3193 54.0239 39.6970 173.3629 67 Y 5.3406 7.8896 112.5281 55.8679 42.6692 174.3410 68 E 4.9876 9.7754 118.7133 55.5712 34.2196 173.0795 69 Y 5.5131 9.0747 117.6975 56.3625 40.1888 175.3376 70 W 5.2759 9.0864 122.8965 55.0527 33.1623 174.6485 71 T 5.2802 9.2197 112.6719 59.9670 72.0882 172.7092 72 F 5.2638 8.5245 117.6801 55.4176 41.4472 173.5173 73 S 4.8272 8.6371 116.2244 57.1015 65.4043 172.5432 74 A 4.6582 9.0115 127.3638 51.2160 23.4211 174.7266 75 S 4.8416 8.5541 115.5427 57.6615 63.8754 174.5690 76 V 4.4603 8.5546 124.6995 61.3352 33.6290 174.9738 77 K 4.3939 9.1679 127.8818 56.7169 33.1248 176.1841 78 G 4.0310 7.8710 106.5305 44.0797 0.0000 171.8425 79 I 4.5410 7.9107 125.3152 59.4342 41.1699 173.7058 80 K 4.3401 8.8262 129.4173 58.1740 33.7031 175.4592 81 E 5.2093 7.4232 115.5878 56.1386 33.2548 173.0914 82 F 5.7203 8.7484 113.5472 56.6855 41.6572 172.3439 83 Y 5.3423 9.6071 117.3566 55.6869 42.2315 173.7190 84 I 4.9064 9.0271 120.3675 59.4184 40.2338 174.7379 85 K 5.0465 9.0440 127.8342 54.7822 35.3836 174.1130 86 Y 5.3657 8.8147 127.1251 56.0750 42.1696 173.4113 87 E 4.9954 9.4390 126.6134 54.4577 32.8662 175.4564 88 V 4.2504 8.6290 121.7939 61.3072 35.2181 173.6942 89 S 3.6619 9.5884 117.5789 59.8271 60.3467 173.3523 90 G 3.8228 8.2067 104.4803 45.9239 0.0000 174.0096 91 K 4.3789 7.9178 119.2701 54.6376 34.4612 175.0892 92 T 4.6621 7.4889 116.2540 61.9717 71.4788 173.0062 93 Y 4.9934 8.7045 121.2143 56.8379 42.7512 173.7477 94 Y 5.4093 8.6856 116.6685 56.9419 42.8460 174.6197 95 D 4.9545 9.9770 121.4132 52.4188 43.7589 175.3263 96 N 4.9525 8.5714 124.5658 52.4285 38.6319 174.3694 97 N 3.7107 8.6900 113.8987 56.7026 37.8265 173.6382 98 N 3.9416 8.7083 111.5959 54.7322 36.6596 176.1729 99 S 3.9278 8.1983 110.3496 58.7171 62.0315 171.1072 100 A 4.1875 7.6050 121.7835 51.2262 19.3735 177.8357 101 N 3.9051 7.7942 115.2295 52.5186 38.5929 172.7390 102 Y 4.4865 7.9366 116.4524 56.8254 39.0254 175.7542 103 Q 4.6437 8.7519 124.0689 55.5181 30.0837 175.6935 104 V 4.6542 8.6814 124.2895 61.3145 32.6215 175.7132 105 S 4.3158 9.2585 122.2972 58.5307 63.8011 174.0608 106 T 4.1739 8.1142 120.7500 62.8850 68.1393 171.2763 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 A 8.26 4.38 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 2 S 7.88 4.35 0.00 3.97 3.75 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 3 I 8.35 3.94 1.23 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 1.26 0.36 0.84 0.00 0.00 4 P 0.00 4.00 0.00 1.17 1.83 0.00 2.27 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.47 0.00 5 S 8.53 4.30 0.00 3.79 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 6 S 7.81 4.72 0.00 4.00 3.93 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 7 A 8.04 4.20 1.41 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 0.00 0.00 8 S 8.64 4.46 0.00 3.37 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 9 V 7.69 5.09 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.89 0.00 0.00 10 Q 9.26 5.04 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.02 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 11 L 9.87 4.44 0.00 1.83 1.66 1.21 0.05 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 12 D 9.06 4.69 0.00 1.92 2.45 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 13 S 8.39 4.89 0.00 3.80 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 14 Y 8.14 5.28 0.00 3.12 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 15 N 9.23 5.06 0.00 2.70 2.54 0.00 0.00 6.80 8.17 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 16 Y 8.66 5.55 0.00 3.00 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 17 D 7.79 4.38 0.00 2.74 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 18 G 6.31 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 19 S 7.77 4.30 0.00 3.94 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 20 T 7.24 5.15 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 21 F 9.07 5.92 0.00 3.03 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 22 S 9.16 4.34 0.00 3.42 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 23 G 6.15 3.73 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 0.00 0.00 0.00 24 K 8.55 5.23 0.00 1.51 1.38 0.00 1.24 0.00 0.00 0.61 0.00 0.00 2.72 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.12 1.34 7.81 25 I 8.53 5.07 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.11 1.02 0.00 0.00 26 Y 9.58 5.11 0.00 3.07 2.91 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 27 V 9.35 4.68 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 0.49 0.00 0.00 0.22 0.00 0.00 28 K 9.19 3.83 0.00 1.41 1.71 0.00 1.49 0.00 0.00 1.42 0.00 0.00 2.65 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 0.93 7.81 29 N 8.41 4.86 0.00 2.88 2.76 0.00 0.00 7.28 8.10 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 30 I 8.06 3.99 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.76 0.84 0.00 0.00 31 A 7.55 4.78 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 32 Y 8.74 4.25 0.00 2.86 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 33 S 7.60 3.67 0.00 3.41 3.60 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 34 K 8.33 5.01 0.00 2.02 1.68 0.00 2.32 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.56 1.76 7.81 35 K 8.70 4.36 0.00 1.78 1.63 0.00 1.50 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.47 7.81 36 V 8.14 4.86 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 0.66 0.00 0.00 -0.63 0.00 0.00 37 T 9.06 5.12 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 1.23 0.00 0.00 38 V 8.71 4.70 1.77 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 0.82 0.00 0.00 -0.07 0.00 0.00 39 V 8.48 4.95 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 -0.20 0.00 0.00 1.43 0.00 0.00 40 Y 8.39 5.36 0.00 2.96 2.91 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 41 A 8.69 4.11 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.89 4.57 0.00 2.77 2.57 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 43 G 8.77 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 44 S 7.80 4.48 0.00 3.82 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.13 4.11 0.00 2.67 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 46 N 7.64 4.94 0.00 2.70 2.72 0.00 0.00 7.05 7.95 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 47 W 8.86 3.98 0.00 3.45 3.30 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 48 N 8.47 3.88 0.00 2.81 2.78 0.00 0.00 6.86 6.56 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 49 N 9.16 4.09 0.00 2.82 2.80 0.00 0.00 7.28 7.79 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 50 N 8.18 4.51 0.00 3.01 3.04 0.00 0.00 6.78 7.32 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 51 G 8.30 3.74 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 0.00 0.00 0.00 52 N 7.79 4.48 0.00 1.97 1.42 0.00 0.00 6.98 7.38 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 53 I 7.99 5.01 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.63 0.95 0.00 0.00 54 I 8.68 4.59 2.08 0.00 0.00 1.00 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 1.97 0.98 0.00 0.00 55 A 8.88 4.57 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 56 A 8.70 5.09 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.93 4.85 0.00 3.80 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 F 7.57 3.10 0.00 1.74 2.47 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 59 S 7.62 4.26 0.00 3.65 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 60 G 6.39 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.93 0.00 2.16 2.26 0.00 3.74 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 62 I 8.02 4.35 1.92 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.26 0.88 0.00 0.00 63 S 8.68 4.10 0.00 4.00 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 64 G 10.24 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 65 S 7.64 4.64 0.00 4.03 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 66 N 8.65 5.01 0.00 2.80 2.66 0.00 0.00 6.64 7.56 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 67 Y 7.89 5.34 0.00 3.01 2.83 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 68 E 9.78 4.99 0.00 2.27 2.20 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 2.72 2.83 0.00 69 Y 9.07 5.51 0.00 2.84 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 70 W 9.09 5.28 0.00 3.28 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 71 T 9.22 5.28 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 1.07 0.00 0.00 72 F 8.52 5.26 0.00 3.00 3.08 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 73 S 8.64 4.83 0.00 3.65 3.63 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 74 A 9.01 4.66 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 75 S 8.55 4.84 0.00 3.80 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 76 V 8.55 4.46 2.11 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 0.41 0.00 0.00 0.80 0.00 0.00 77 K 9.17 4.39 0.00 1.78 1.85 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.51 7.81 78 G 7.87 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 79 I 7.91 4.54 1.38 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.83 -0.21 0.00 0.00 80 K 8.83 4.34 0.00 2.08 1.59 0.00 1.56 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.36 7.81 81 E 7.42 5.21 0.00 2.17 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 2.17 2.05 0.00 82 F 8.75 5.72 0.00 3.44 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 83 Y 9.61 5.34 0.00 3.25 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 84 I 9.03 4.91 2.08 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 1.26 1.01 1.00 0.00 0.00 85 K 9.04 5.05 0.00 2.00 1.61 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.19 0.95 7.81 86 Y 8.81 5.37 0.00 2.85 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 87 E 9.44 5.00 0.00 1.79 1.66 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 2.01 2.09 0.00 88 V 8.63 4.25 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 0.41 0.00 0.00 1.01 0.00 0.00 89 S 9.59 3.66 0.00 3.98 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 90 G 8.21 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 91 K 7.92 4.38 0.00 1.52 1.20 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.23 1.44 7.81 92 T 7.49 4.66 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 0.57 0.00 0.00 93 Y 8.70 4.99 0.00 2.83 2.81 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 94 Y 8.69 5.41 0.00 2.80 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 95 D 9.98 4.95 0.00 2.97 2.77 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 96 N 8.57 4.95 0.00 2.77 2.83 0.00 0.00 6.05 6.96 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 97 N 8.69 3.71 0.00 1.44 1.87 0.00 0.00 7.40 8.04 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 98 N 8.71 3.94 0.00 2.81 2.79 0.00 0.00 7.33 7.57 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 99 S 8.20 3.93 0.00 4.01 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 0.00 100 A 7.61 4.19 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 N 7.79 3.91 0.00 3.08 3.20 0.00 0.00 6.91 7.08 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 0.00 102 Y 7.94 4.49 0.00 1.43 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 0.00 0.00 0.00 103 Q 8.75 4.64 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 104 V 8.68 4.65 1.88 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 0.63 0.00 0.00 0.85 0.00 0.00 105 S 9.26 4.32 0.00 4.09 4.05 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 0.00 106 T 8.11 4.17 4.58 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 1.31 0.00 0.00