NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4471 8.3049 120.3256 55.1683 33.1495 174.8024 2 E 4.1967 8.6183 123.8506 55.0351 30.7540 172.9130 3 E 4.4231 9.0911 122.7894 54.7626 32.1765 175.6727 4 T 3.7783 8.3623 116.7588 64.6489 68.5353 174.0566 5 R 4.6617 8.1581 124.9057 53.4723 32.8834 174.4857 6 P 4.3967 0.0000 0.0000 62.1092 32.0397 177.7598 7 I 3.6151 8.2516 122.4021 63.8965 37.9639 176.4759 8 D 4.3331 7.8989 117.5568 53.6090 39.7014 177.1800 9 G 3.8718 7.9835 108.0398 45.6930 0.0000 173.3972 10 L 4.4675 7.8869 119.9953 53.8445 42.7329 177.6603 11 T 4.2658 8.7048 114.0339 61.1777 71.0077 175.6146 12 D 4.3999 8.5639 121.0872 57.5771 40.6978 178.7846 13 E 3.9387 8.1319 119.3333 59.1770 29.7383 178.2643 14 D 4.3977 8.0720 118.9973 57.5930 40.8636 179.0003 15 I 3.8116 7.8467 120.0479 64.3784 37.1182 178.3240 16 R 3.9595 8.3248 119.8246 59.5903 29.8570 178.3211 17 E 3.9355 8.5825 118.5356 59.4621 29.4404 179.2912 18 I 3.8661 7.8758 119.6991 64.7223 37.0850 178.6211 19 L 4.3340 8.3085 118.2925 57.7515 41.4636 179.3189 20 T 4.1189 7.8209 115.3749 65.7956 68.6608 176.2797 21 R 4.3267 7.7547 118.9075 57.2268 31.3619 176.1432 22 Y 5.0086 7.7865 118.3512 56.7754 36.8734 175.0844 23 K 4.7416 8.5160 121.1474 55.8304 34.6050 175.5692 24 K 4.9638 8.8059 121.7630 55.6565 32.9232 175.4863 25 I 4.9820 8.9867 126.6845 59.2883 40.2699 174.8742 26 A 5.0157 9.0716 129.4839 50.5715 20.5692 175.9110 27 L 4.8355 8.8070 126.3727 54.3620 43.1948 175.3564 28 V 4.0824 8.8913 128.3607 62.6940 32.7777 176.7310 29 G 3.9721 8.9940 115.9081 45.3094 0.0000 173.2053 30 A 3.9176 7.6877 121.2447 52.5567 18.7614 177.7211 31 S 4.3779 7.9139 114.4698 56.0644 65.4575 172.2972 32 P 4.2395 0.0000 0.0000 63.3698 31.9031 176.2949 33 K 4.1025 7.7641 120.8495 55.6620 31.9712 176.2736 34 P 4.6738 0.0000 0.0000 64.5093 31.4705 177.5903 35 E 4.1575 8.0117 114.9156 58.1010 30.5005 177.4145 36 R 4.1265 7.9055 120.1183 55.8176 30.8521 177.2949 37 D 4.3683 8.9094 121.8947 57.4844 40.8607 178.7734 38 A 2.5800 7.8016 120.7007 54.6792 17.9901 179.1355 39 N 4.0684 7.7063 114.9724 56.7403 39.0782 177.2590 40 I 3.6725 7.4891 120.6952 64.4748 37.2165 178.5159 41 V 3.5702 7.8670 119.3155 65.9389 31.2601 177.6682 42 M 3.8821 7.8009 118.0382 58.4475 32.0780 178.0376 43 K 3.8320 8.0462 119.7044 59.6440 32.2552 178.0141 44 Y 4.1290 8.0298 119.6466 60.7714 38.7348 178.0802 45 L 3.9586 8.3139 120.1757 57.8449 41.3585 179.4282 46 L 4.0149 8.1227 119.0261 57.9883 41.3232 179.5039 47 E 4.0442 7.9707 117.2918 58.3897 29.2939 177.8997 48 H 4.8432 7.5624 115.1719 55.2141 29.9770 175.3742 49 G 3.8074 7.5786 106.3245 45.6904 0.0000 173.8913 50 Y 4.1310 7.7175 116.8490 57.4137 39.1153 175.3173 51 D 4.5661 9.3161 124.0133 53.1389 42.0686 175.0814 52 V 4.6271 8.0812 126.3709 61.4040 33.0893 174.5838 53 Y 4.6373 9.2942 128.3059 55.9153 39.0306 173.7049 54 P 4.8153 0.0000 0.0000 62.7456 33.1904 175.5356 55 V 4.8245 8.5312 122.5172 61.7671 34.5729 174.0048 56 N 4.6327 8.9868 122.4906 52.6898 41.9767 173.4012 57 P 4.4744 0.0000 0.0000 64.4075 31.7294 177.8763 58 K 3.9137 8.3025 119.5097 58.1259 32.2713 176.3127 59 Y 4.9252 7.5711 114.9273 56.0876 40.7304 175.0685 60 E 4.3060 8.7034 122.1515 57.5096 30.6531 175.6281 61 E 4.9883 7.7427 117.3997 54.7654 32.7715 173.9692 62 V 4.1719 8.4404 125.0283 62.1808 34.1956 175.2372 63 L 3.6571 9.6198 126.2680 55.8216 39.1324 175.6146 64 G 3.8977 8.4160 104.3246 45.5309 0.0000 174.0889 65 R 4.5015 7.6928 119.5602 53.5642 31.9050 175.5163 66 K 4.0705 8.6117 123.2665 57.4996 32.5915 174.9509 67 C 5.0234 8.5192 127.6543 58.0113 33.3176 172.3755 68 Y 4.8655 9.0439 123.9295 55.7920 40.0692 174.9003 69 P 4.6541 0.0000 0.0000 63.8706 32.3038 175.7748 70 S 4.8255 7.5703 112.5009 57.3618 65.4266 175.7334 71 V 3.6187 9.4906 121.7493 65.8731 31.3722 178.1338 72 L 4.0978 7.5890 118.1830 56.7645 41.6054 177.5202 73 D 4.5656 7.6493 117.3111 55.2811 41.1793 176.6265 74 I 2.7549 6.9790 122.0004 60.1652 37.7781 175.3507 75 P 4.5080 0.0000 0.0000 60.2704 30.3504 174.0843 76 D 4.3923 6.7266 115.6998 53.6050 44.3454 174.8864 77 K 4.1435 8.4598 122.2754 56.8800 33.3909 176.2265 78 I 4.4944 7.9940 120.4407 59.9651 40.3257 175.6012 79 E 4.2316 9.4034 125.6640 56.9732 32.0532 176.2539 80 V 4.7663 7.6164 118.5618 60.9186 35.1352 174.5478 81 V 4.5450 8.7410 128.2955 61.6296 33.0209 173.9917 82 D 5.1945 9.0920 129.9527 52.7935 42.3746 174.9015 83 L 4.7550 8.6326 127.5357 52.8974 43.3609 177.4069 84 F 4.7394 8.9797 125.5686 57.4806 38.9455 175.1949 85 V 4.6378 7.7906 109.5259 58.9381 35.9862 176.2224 86 K 4.2581 8.4294 120.2708 55.8727 32.9491 176.4344 87 P 4.7318 0.0000 0.0000 65.2204 31.7392 179.1474 88 K 4.1115 8.0929 116.5894 59.1544 32.5282 179.2096 89 L 4.2834 8.0277 118.8476 57.4758 41.3299 179.3448 90 T 4.2451 7.9771 109.9725 64.5049 68.6453 176.3114 91 M 4.0298 7.7109 120.4042 58.8508 32.2785 178.0422 92 E 3.9087 8.0936 118.1051 59.6115 29.5439 178.8392 93 Y 4.0833 7.6192 115.4575 60.7178 37.8017 178.4338 94 V 3.5948 8.2433 119.8079 65.9732 31.6346 177.8717 95 E 3.9475 8.1926 118.3790 59.5505 29.2637 179.4136 96 Q 3.9418 8.2659 117.8049 58.7888 28.7861 178.5150 97 A 3.9829 8.2918 122.0631 55.3043 18.5251 179.6831 98 I 3.6232 7.9617 118.2983 64.6802 37.0209 178.9462 99 K 4.0073 7.7798 117.7240 59.1635 31.8992 178.9742 100 K 4.1332 8.1176 119.0284 57.0199 32.1361 177.2637 101 G 3.7369 7.7424 106.0260 46.0446 0.0000 173.5375 102 A 4.5516 7.6351 120.2681 51.4456 18.7252 178.5104 103 K 4.2796 8.7348 118.1121 56.8880 34.5793 176.9847 104 V 4.7922 7.3723 119.1109 61.0123 35.2411 174.0083 105 V 4.5665 8.9531 127.9836 60.8486 33.8304 173.9450 106 W 4.8473 9.0948 135.0000 55.5678 32.8433 174.5966 107 F 4.7499 9.3141 128.5945 56.8543 39.2926 176.0924 108 Q 5.0728 8.2255 122.6239 54.5830 30.3292 175.5733 109 Y 4.3354 7.7534 117.8583 59.9975 38.1963 176.6167 110 N 4.5610 9.2356 119.8645 53.9918 35.9581 174.8310 111 T 4.5756 7.6571 108.1833 61.3150 70.2744 173.7093 112 Y 3.5964 8.1273 123.8854 57.8866 39.3176 175.1790 113 N 4.4499 6.7874 123.5227 50.8765 42.0123 174.9923 114 R 3.5447 7.9740 127.2442 59.2800 30.2806 178.8599 115 E 3.8915 8.0756 117.6347 59.1642 29.5747 178.9779 116 A 4.0370 8.4210 120.9808 55.3428 18.5318 179.5924 117 S 4.2741 8.1347 111.6864 61.2859 62.4259 176.0448 118 K 3.8587 8.2763 122.5704 59.6652 31.8006 178.6333 119 K 3.9062 8.1703 118.2257 59.5334 32.0196 179.1039 120 A 4.0099 8.1184 120.7955 55.1645 18.2360 179.1821 121 D 4.2743 8.1966 116.4416 57.7214 41.1833 178.4254 122 E 3.9588 8.1614 117.1474 58.6192 29.4963 178.1818 123 A 4.4808 7.5938 118.6506 51.7211 19.2900 177.8610 124 G 3.8879 8.1185 106.0087 45.0911 0.0000 173.9451 125 L 4.4646 7.5203 118.8643 54.0998 42.7634 176.9517 126 I 4.0300 8.6295 123.2553 61.4228 38.3936 174.9658 127 I 4.9044 8.3790 127.2577 59.6575 39.1551 174.9328 128 V 4.2823 8.7004 127.4288 60.9174 33.3715 174.2394 129 A 4.9079 8.5895 129.3151 50.4319 21.8111 175.2155 130 N 4.2550 8.5006 119.6211 54.8814 38.2709 173.5732 131 R 4.9556 7.5582 113.6410 53.9412 34.8181 173.8663 132 C 5.2416 8.2556 119.6758 57.0106 34.2968 174.3801 133 M 3.2783 7.9775 127.3142 58.3632 31.4279 178.5916 134 M 3.5362 7.5954 117.6468 58.5998 32.4117 178.3897 135 R 3.8790 7.7131 117.6589 59.2802 30.3379 178.7947 136 E 4.0597 8.5972 118.7522 59.5273 29.4089 178.8560 137 H 4.1883 8.4492 118.3511 59.3331 29.8661 177.0611 138 E 4.0623 8.5543 120.7541 59.6430 29.1281 179.4617 139 R 3.9231 8.1102 117.3203 58.8512 30.2281 177.6025 140 L 4.5758 7.9376 116.7345 54.9402 42.9454 177.0629 141 L 4.6950 8.1675 115.4817 53.8354 43.6228 176.7160 142 G 3.7894 7.8863 113.0915 45.7545 0.0000 173.6108 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 M 8.30 4.45 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 2 E 8.62 4.20 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 3 E 9.09 4.42 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 4 T 8.36 3.78 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 1.18 0.00 0.00 5 R 8.16 4.66 0.00 1.75 1.80 0.00 3.36 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.54 0.00 6 P 0.00 4.40 0.00 2.26 1.90 0.00 3.57 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 7 I 8.25 3.62 1.72 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.64 0.62 0.00 0.00 8 D 7.90 4.33 0.00 2.88 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 9 G 7.98 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.89 4.47 0.00 1.67 1.57 0.89 0.71 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 11 T 8.70 4.27 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 1.21 0.00 0.00 12 D 8.56 4.40 0.00 2.80 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 13 E 8.13 3.94 0.00 2.04 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 2.49 2.41 0.00 14 D 8.07 4.40 0.00 3.01 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 15 I 7.85 3.81 1.94 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.99 1.19 0.00 0.00 16 R 8.32 3.96 0.00 2.04 2.13 0.00 3.11 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 17 E 8.58 3.94 0.00 2.23 1.96 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 2.32 2.53 0.00 18 I 7.88 3.87 2.30 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 1.84 0.88 1.34 0.00 0.00 19 L 8.31 4.33 0.00 2.00 1.94 1.02 1.15 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 20 T 7.82 4.12 4.35 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 1.18 0.00 0.00 21 R 7.75 4.33 0.00 1.57 1.71 0.00 3.16 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.78 0.00 22 Y 7.79 5.01 0.00 3.30 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 23 K 8.52 4.74 0.00 1.62 1.51 0.00 1.54 0.00 0.00 1.55 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.35 7.81 24 K 8.81 4.96 0.00 1.84 1.99 0.00 1.97 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.64 7.81 25 I 8.99 4.98 1.94 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.94 0.89 0.00 0.00 26 A 9.07 5.02 1.23 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 0.00 0.00 0.00 27 L 8.81 4.84 0.00 1.74 1.57 0.80 0.34 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 28 V 8.89 4.08 1.83 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 -0.23 0.00 0.00 0.66 0.00 0.00 29 G 8.99 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 0.00 0.00 0.00 30 A 7.69 3.92 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 31 S 7.91 4.38 0.00 3.79 3.58 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 32 P 0.00 4.24 0.00 2.01 1.80 0.00 3.13 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.21 0.00 33 K 7.76 4.10 0.00 1.85 2.11 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.46 1.41 7.81 34 P 0.00 4.67 0.00 2.01 2.09 0.00 3.70 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 35 E 8.01 4.16 0.00 2.08 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 2.27 2.28 0.00 36 R 7.91 4.13 0.00 1.95 1.83 0.00 3.31 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 37 D 8.91 4.37 0.00 2.94 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 38 A 7.80 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 7.71 4.07 0.00 2.86 2.90 0.00 0.00 7.19 7.22 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 40 I 7.49 3.67 1.95 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 1.50 0.71 0.90 0.00 0.00 41 V 7.87 3.57 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 1.09 0.00 0.00 1.01 0.00 0.00 42 M 7.80 3.88 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 43 K 8.05 3.83 0.00 1.98 1.92 0.00 1.89 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.58 7.81 44 Y 8.03 4.13 0.00 3.05 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 45 L 8.31 3.96 0.00 1.94 1.65 0.42 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.12 4.01 0.00 1.78 1.67 0.86 0.98 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 47 E 7.97 4.04 0.00 1.79 1.70 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 2.24 2.39 0.00 48 H 7.56 4.84 0.00 2.89 3.23 0.00 5.88 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 7.58 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 7.72 4.13 0.00 2.95 2.94 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 51 D 9.32 4.57 0.00 2.79 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 52 V 8.08 4.63 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 0.85 0.00 0.00 0.96 0.00 0.00 53 Y 9.29 4.64 0.00 3.05 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 54 P 0.00 4.82 0.00 2.14 2.16 0.00 3.92 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.96 0.00 55 V 8.53 4.82 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 1.16 0.00 0.00 1.03 0.00 0.00 56 N 8.99 4.63 0.00 2.94 2.84 0.00 0.00 6.79 7.30 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 57 P 0.00 4.47 0.00 2.10 2.13 0.00 3.82 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.43 0.00 58 K 8.30 3.91 0.00 1.47 1.48 0.00 1.48 0.00 0.00 1.05 0.00 0.00 2.66 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.32 1.01 7.81 59 Y 7.57 4.93 0.00 3.02 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.70 4.31 0.00 2.06 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 2.31 2.31 0.00 61 E 7.74 4.99 0.00 1.89 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.27 0.00 62 V 8.44 4.17 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 0.85 0.00 0.00 0.70 0.00 0.00 63 L 9.62 3.66 0.00 1.72 1.64 0.83 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.42 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 7.69 4.50 0.00 1.93 1.79 0.00 3.22 0.00 0.00 2.98 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 66 K 8.61 4.07 0.00 1.71 1.71 0.00 1.67 0.00 0.00 1.47 0.00 0.00 2.63 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.66 1.21 7.81 67 C 8.52 5.02 0.00 3.01 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 68 Y 9.04 4.87 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 69 P 0.00 4.65 0.00 2.24 2.21 0.00 4.02 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.01 0.00 70 S 7.57 4.83 0.00 4.16 4.01 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 71 V 9.49 3.62 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 0.92 0.00 0.00 1.10 0.00 0.00 72 L 7.59 4.10 0.00 1.65 1.69 0.90 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 73 D 7.65 4.57 0.00 2.90 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 74 I 6.98 2.75 1.53 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.01 -0.11 0.00 0.00 75 P 0.00 4.51 0.00 2.19 2.11 0.00 3.37 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 76 D 6.73 4.39 0.00 2.46 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.46 4.14 0.00 1.88 1.78 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.47 7.81 78 I 7.99 4.49 1.76 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.58 0.86 0.00 0.00 79 E 9.40 4.23 0.00 2.09 1.79 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 2.28 2.26 0.00 80 V 7.62 4.77 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 1.15 0.00 0.00 1.12 0.00 0.00 81 V 8.74 4.54 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 0.85 0.00 0.00 0.92 0.00 0.00 82 D 9.09 5.19 0.00 2.70 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 83 L 8.63 4.75 0.00 1.61 1.50 0.83 0.50 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 84 F 8.98 4.74 0.00 2.97 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 85 V 7.79 4.64 2.17 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 0.75 0.00 0.00 0.98 0.00 0.00 86 K 8.43 4.26 0.00 1.88 1.79 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.53 7.81 87 P 0.00 4.73 0.00 2.18 2.31 0.00 3.92 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 88 K 8.09 4.11 0.00 1.84 1.88 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.47 7.81 89 L 8.03 4.28 0.00 2.06 1.95 1.03 0.47 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 90 T 7.98 4.25 4.43 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 1.48 0.00 0.00 91 M 7.71 4.03 0.00 2.24 2.12 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 2.59 2.63 0.00 92 E 8.09 3.91 0.00 1.76 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 2.32 2.23 0.00 93 Y 7.62 4.08 0.00 3.12 2.99 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 94 V 8.24 3.59 2.32 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 1.23 0.00 0.00 0.96 0.00 0.00 95 E 8.19 3.95 0.00 2.20 1.96 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 2.32 2.49 0.00 96 Q 8.27 3.94 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 97 A 8.29 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 I 7.96 3.62 2.00 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 1.52 1.25 0.91 0.00 0.00 99 K 7.78 4.01 0.00 1.86 1.86 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.58 7.81 100 K 8.12 4.13 0.00 1.80 1.99 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.42 7.81 101 G 7.74 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 0.00 102 A 7.64 4.55 1.23 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 0.00 0.00 0.00 103 K 8.73 4.28 0.00 0.89 1.44 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.12 1.21 7.81 104 V 7.37 4.79 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 1.23 0.00 0.00 0.92 0.00 0.00 105 V 8.95 4.57 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 0.40 0.00 0.00 0.88 0.00 0.00 106 W 9.09 4.85 0.00 3.42 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 F 9.31 4.75 0.00 3.13 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 0.00 108 Q 8.23 5.07 0.00 1.62 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.98 0.00 0.00 0.00 0.00 0.00 1.94 1.16 0.00 109 Y 7.75 4.34 0.00 3.00 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 0.00 110 N 9.24 4.56 0.00 3.01 3.07 0.00 0.00 6.84 7.54 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 0.00 111 T 7.66 4.58 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 1.37 0.00 0.00 112 Y 8.13 3.60 0.00 2.77 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 0.00 113 N 6.79 4.45 0.00 2.76 2.52 0.00 0.00 7.22 7.65 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 0.00 114 R 7.97 3.54 0.00 1.76 1.89 0.00 3.20 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.61 0.00 115 E 8.08 3.89 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 116 A 8.42 4.04 1.51 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 0.00 0.00 117 S 8.13 4.27 0.00 3.80 3.95 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 0.00 0.00 0.00 118 K 8.28 3.86 0.00 2.00 2.01 0.00 1.60 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.55 7.81 119 K 8.17 3.91 0.00 2.02 1.87 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.48 7.81 120 A 8.12 4.01 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 0.00 121 D 8.20 4.27 0.00 2.96 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 0.00 122 E 8.16 3.96 0.00 2.01 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 2.53 0.00 123 A 7.59 4.48 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 0.00 124 G 8.12 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 0.00 125 L 7.52 4.46 0.00 1.69 1.60 0.91 0.70 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 0.00 126 I 8.63 4.03 1.92 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.69 0.95 0.00 0.00 127 I 8.38 4.90 1.95 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 1.43 0.65 1.17 0.00 0.00 128 V 8.70 4.28 1.12 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 -0.87 0.00 0.00 0.57 0.00 0.00 129 A 8.59 4.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 N 8.50 4.25 0.00 2.67 2.80 0.00 0.00 6.97 8.43 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 0.00 131 R 7.56 4.96 0.00 1.77 1.92 0.00 2.75 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.50 0.00 132 C 8.26 5.24 0.00 2.34 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 0.00 133 M 7.98 3.28 0.00 1.37 1.49 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.81 0.00 134 M 7.60 3.54 0.00 1.78 1.65 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.19 0.00 135 R 7.71 3.88 0.00 1.91 2.02 0.00 3.40 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 136 E 8.60 4.06 0.00 2.31 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 2.75 2.83 0.00 137 H 8.45 4.19 0.00 3.41 3.61 0.00 5.60 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 0.00 138 E 8.55 4.06 0.00 2.16 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 2.46 2.28 0.00 139 R 8.11 3.92 0.00 1.94 2.21 0.00 3.27 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 140 L 7.94 4.58 0.00 1.78 1.72 1.05 0.85 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 0.00 141 L 8.17 4.69 0.00 1.43 1.54 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 142 G 7.89 3.79 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 0.00 0.00 0.00